data_shelxl _publ_contact_author_name 'Werner Kaminsky' _publ_contact_author_address ; Department of Chemistry, BOX 351700 University of Washington Seattle, WA 98195 USA ; _publ_contact_author_email 'wernerka@u.washington.edu' _publ_requested_journal 'Journal title here' _publ_section_title ; title here ; loop_ _publ_author_name _publ_author_address 'Jessica Hoover' ; Department of Chemistry Univ. of Washington Seattle, WA 98195 USA ; 'John Freudenthal' ; Department of Chemistry Univ. of Washington Seattle, WA 98195 USA ; 'Werner Kaminsky' ; Department of Chemistry Univ. of Washington Seattle, WA 98195 USA ; 'James Mayer' ; Department of Chemistry Univ. of Washington Seattle, WA 98195 USA ; _publ_section_abstract ; Abstract here ; _publ_section_comment ; Details and comments here ; _publ_section_exptl_prep ; details of preparation here ; _publ_section_exptl_refinement ; All H atoms were initially located in a difference Fourier map and were refined with a riding model. H atoms were placed in geometrically idealised positions and constrained to ride on their parent atoms with C---H distances in the range 0.95-1.00 \%A. U~iso~ values were fixed such that they were 1.2U~eq~ of their parent atom U~eq~ for CH's and 1.5U~eq~ of their parent atom U~eq~ in case of methyl groups. ; _publ_section_references ; Altomare, A.; Cascarano, G.; Giacovazzo, C.; Burla, M.C.; Polidori, G.; Camalli, M. (1994) J. Appl. Cryst. 27, 435-442. Beurskens, P.T., Admiraal, G., Beurskens, G., Bosman, W. P., Garcia-Granada, S., Gould, R. O., Smits, J. M. M. & Smykalla, C. (1996) The DIRDIF96 Program System. Technical Report of the Crystallography Laboratory, University of Nijmegen, The Netherlands. MacKay, S.; Gilmore, C.J.; Edwards, C.; Tremayne, M.; Stewart, N.; Shankland, K. (1998) "maXus: a computer program for the solution and refinement of crystal structures from diffraction data" University of Glasgow, Scotland, UK, Nonius BV, Delft, The Netherlands and MacScience Co. Ltd., Yokohama, Japan. Otwinowski, Z.; Minor, W. (1996) Methods in Enzymology, 276, 307-326. Sheldrick, G. M. (1997) SHELXL97 University of G\"ottingen, Germany. ; _audit_creation_method SHELXL-97 _chemical_name_systematic ; IV062 ; _chemical_name_common IV062 _chemical_melting_point ? _chemical_formula_moiety 'C17 H18 N4 O2 Pt1' _chemical_formula_sum 'C17 H18 N4 O2 Pt' _chemical_formula_weight 505.44 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pt' 'Pt' -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_space_group_name_H-M 'P 21/c' _symmetry_cell_setting 'Monoclinic' _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_Int_Tables_number 14 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 14.4886(2) _cell_length_b 22.0667(4) _cell_length_c 10.2932(3) _cell_angle_alpha 90.00 _cell_angle_beta 105.1153(7) _cell_angle_gamma 90.00 _cell_volume 3177.04(12) _cell_formula_units_Z 8 _cell_measurement_temperature 130(2) _cell_measurement_reflns_used 128 _exptl_crystal_description 'cut block' _exptl_crystal_colour 'yellow' _exptl_crystal_size_max 0.10 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.113 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1936 _exptl_absorpt_coefficient_mu 8.851 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.4514 _exptl_absorpt_correction_T_max 0.6459 _exptl_absorpt_process_details 'HKL2000' _exptl_special_details ; Data was collected with \w and \f scans in 1^o^ increments with 30 second exposures per degree. Crystal-to-detector distance was 30 mm. 58311 full and partial reflection were integrated. ; _diffrn_ambient_temperature 130(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius KappaCCD' _diffrn_measurement_method '\f and \w scans' _diffrn_reflns_number 14199 _diffrn_reflns_av_R_equivalents 0.0628 _diffrn_reflns_av_sigmaI/netI 0.1152 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -30 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 2.25 _diffrn_reflns_theta_max 30.04 _reflns_number_total 8181 _reflns_number_gt 4962 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'KappaCCD' _computing_cell_refinement 'HKL Scalepack (Otwinowski & Minor 1997)' _computing_data_reduction 'HKL Scalepack (Otwinowski & Minor 1997)' _computing_structure_solution 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'maXus, Zortep' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0477P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 8181 _refine_ls_number_parameters 437 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0982 _refine_ls_R_factor_gt 0.0497 _refine_ls_wR_factor_ref 0.1103 _refine_ls_wR_factor_gt 0.0964 _refine_ls_goodness_of_fit_ref 0.916 _refine_ls_restrained_S_all 0.916 _refine_ls_shift/su_max 0.004 _refine_ls_shift/su_mean 0.002 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pt1 Pt 0.60527(2) 0.083618(13) 0.64737(3) 0.0420(3) Uani 1 1 d . . . N3 N 0.6054(5) 0.0455(3) 0.4688(7) 0.0456(16) Uani 1 1 d . . . N4 N 0.6404(5) -0.0056(3) 0.7067(6) 0.0413(15) Uani 1 1 d . . . N1 N 0.6087(5) 0.1221(3) 0.8252(6) 0.0463(16) Uani 1 1 d . . . C1 C 0.5595(6) 0.1683(3) 0.5788(7) 0.0442(18) Uani 1 1 d . . . H1A H 0.6081 0.1877 0.5406 0.053 Uiso 1 1 calc R . . H1B H 0.4995 0.1649 0.5064 0.053 Uiso 1 1 calc R . . C14 C 0.6401(6) -0.0442(4) 0.3595(8) 0.050(2) Uani 1 1 d . . . H14 H 0.6612 -0.0851 0.3652 0.060 Uiso 1 1 calc R . . C16 C 0.5881(6) 0.0450(4) 0.2315(8) 0.053(2) Uani 1 1 d . . . H16 H 0.5723 0.0664 0.1486 0.064 Uiso 1 1 d R . . C11 C 0.6720(6) -0.1040(3) 0.6306(8) 0.0463(19) Uani 1 1 d . . . H11 H 0.6817 -0.1295 0.5610 0.056 Uiso 1 1 calc R . . C13 C 0.6333(6) -0.0141(4) 0.4744(7) 0.048(2) Uani 1 1 d . . . C17 C 0.5833(6) 0.0735(4) 0.3499(8) 0.049(2) Uani 1 1 d . . . H17 H 0.5635 0.1147 0.3460 0.059 Uiso 1 1 calc R . . C2 C 0.5421(7) 0.2081(3) 0.6940(8) 0.049(2) Uani 1 1 d . . . H2 H 0.5946 0.2386 0.7214 0.059 Uiso 1 1 calc R . . C15 C 0.6164(6) -0.0150(4) 0.2358(9) 0.053(2) Uani 1 1 d . . . H15 H 0.6195 -0.0357 0.1561 0.064 Uiso 1 1 calc R . . C10 C 0.6794(6) -0.1268(4) 0.7574(8) 0.050(2) Uani 1 1 d . . . H10 H 0.6932 -0.1685 0.7752 0.060 Uiso 1 1 calc R . . C12 C 0.6498(6) -0.0425(4) 0.6060(8) 0.047(2) Uani 1 1 d . . . Pt2 Pt 0.10909(2) 0.058461(12) 0.38437(3) 0.0400(3) Uani 1 1 d . . . N8 N 0.1328(5) -0.0315(3) 0.3998(6) 0.0411(15) Uani 1 1 d . . . N5 N 0.0894(5) 0.1483(3) 0.3662(6) 0.0443(16) Uani 1 1 d . . . C30 C 0.1403(6) -0.0567(3) 0.5234(8) 0.0421(18) Uani 1 1 d . . . C29 C 0.1353(5) -0.0137(3) 0.6299(7) 0.0418(18) Uani 1 1 d . . . C26 C 0.1322(6) 0.0741(3) 0.8132(7) 0.047(2) Uani 1 1 d . . . H26 H 0.1310 0.1053 0.8764 0.057 Uiso 1 1 calc R . . N7 N 0.1206(5) 0.0456(3) 0.5884(6) 0.0441(16) Uani 1 1 d . . . C19 C 0.0638(6) 0.1286(3) 0.1286(7) 0.0435(18) Uani 1 1 d . . . H19 H 0.1209 0.1479 0.1079 0.052 Uiso 1 1 calc R . . C18 C 0.0898(6) 0.0637(3) 0.1816(7) 0.0410(17) Uani 1 1 d . . . H18A H 0.1491 0.0508 0.1589 0.049 Uiso 1 1 calc R . . H18B H 0.0380 0.0356 0.1365 0.049 Uiso 1 1 calc R . . C23 C 0.1488(7) 0.1930(3) 0.4326(8) 0.050(2) Uani 1 1 d . . . C27 C 0.1469(6) 0.0147(4) 0.8565(8) 0.051(2) Uani 1 1 d . . . H27 H 0.1570 0.0047 0.9489 0.062 Uiso 1 1 calc R . . C25 C 0.1195(6) 0.0882(3) 0.6818(8) 0.0450(19) Uani 1 1 d . . . H25 H 0.1094 0.1293 0.6546 0.054 Uiso 1 1 calc R . . C28 C 0.1465(6) -0.0301(3) 0.7617(7) 0.0421(18) Uani 1 1 d . . . H28 H 0.1539 -0.0715 0.7876 0.050 Uiso 1 1 calc R . . C32 C 0.1614(7) -0.1548(4) 0.4377(8) 0.053(2) Uani 1 1 d . . . H32 H 0.1691 -0.1974 0.4497 0.063 Uiso 1 1 calc R . . C7 C 0.6755(7) 0.1710(4) 1.0425(8) 0.055(2) Uani 1 1 d . . . H7A H 0.7277 0.1647 1.1237 0.082 Uiso 1 1 calc R . . H7B H 0.6141 0.1676 1.0652 0.082 Uiso 1 1 calc R . . H7C H 0.6812 0.2114 1.0059 0.082 Uiso 1 1 calc R . . O1 O 0.4473(4) 0.1362(2) 0.9389(5) 0.0508(14) Uani 1 1 d . . . C4 C 0.4031(6) 0.2217(3) 0.7840(8) 0.050(2) Uani 1 1 d . . . H4A H 0.4060 0.2558 0.8473 0.060 Uiso 1 1 calc R . . H4B H 0.3356 0.2090 0.7493 0.060 Uiso 1 1 calc R . . C3 C 0.4447(8) 0.2400(5) 0.6696(10) 0.072(3) Uani 1 1 d . . . H3A H 0.4528 0.2845 0.6683 0.086 Uiso 1 1 calc R . . H3B H 0.4019 0.2272 0.5823 0.086 Uiso 1 1 calc R . . C5 C 0.4631(6) 0.1699(3) 0.8524(8) 0.0461(19) Uani 1 1 d . . . C34 C 0.1428(6) -0.0676(3) 0.2993(8) 0.047(2) Uani 1 1 d . . . H34 H 0.1370 -0.0503 0.2130 0.056 Uiso 1 1 calc R . . C9 C 0.6669(6) -0.0891(3) 0.8593(9) 0.048(2) Uani 1 1 d . . . H9 H 0.6703 -0.1046 0.9465 0.057 Uiso 1 1 calc R . . C33 C 0.1612(6) -0.1286(3) 0.3165(8) 0.0465(19) Uani 1 1 d . . . H33 H 0.1735 -0.1523 0.2457 0.056 Uiso 1 1 calc R . . C31 C 0.1505(6) -0.1186(3) 0.5420(8) 0.048(2) Uani 1 1 d . . . H31 H 0.1499 -0.1361 0.6261 0.058 Uiso 1 1 calc R . . C8 C 0.6493(6) -0.0289(3) 0.8305(8) 0.050(2) Uani 1 1 d . . . H8 H 0.6432 -0.0025 0.9007 0.060 Uiso 1 1 calc R . . O2 O 0.7487(4) 0.0879(2) 0.9567(5) 0.0493(14) Uani 1 1 d . . . O3 O -0.0834(4) 0.2241(2) 0.2685(5) 0.0494(14) Uani 1 1 d . . . N6 N 0.0365(5) 0.1638(3) 0.2341(6) 0.0412(15) Uani 1 1 d . . . C20 C -0.0218(6) 0.1366(3) 0.0103(7) 0.0422(18) Uani 1 1 d . . . H20A H -0.0653 0.1014 0.0010 0.051 Uiso 1 1 calc R . . H20B H -0.0019 0.1415 -0.0742 0.051 Uiso 1 1 calc R . . C6 C 0.6809(6) 0.1237(3) 0.9391(8) 0.0450(19) Uani 1 1 d . . . C21 C -0.0706(6) 0.1946(3) 0.0426(7) 0.0459(19) Uani 1 1 d . . . H21A H -0.0468 0.2308 0.0048 0.055 Uiso 1 1 calc R . . H21B H -0.1409 0.1921 0.0066 0.055 Uiso 1 1 calc R . . C24 C 0.1446(7) 0.2553(3) 0.3675(8) 0.053(2) Uani 1 1 d . . . H24A H 0.1899 0.2825 0.4273 0.080 Uiso 1 1 calc R . . H24B H 0.0798 0.2717 0.3518 0.080 Uiso 1 1 calc R . . H24C H 0.1613 0.2517 0.2816 0.080 Uiso 1 1 calc R . . O4 O 0.2068(4) 0.1831(2) 0.5428(5) 0.0487(14) Uani 1 1 d . . . N2 N 0.5419(5) 0.1689(3) 0.8072(6) 0.0455(16) Uani 1 1 d . . . C22 C -0.0432(6) 0.1965(3) 0.1931(8) 0.0443(19) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.0423(4) 0.0426(4) 0.0428(4) 0.00093(12) 0.01392(17) 0.00000(13) N3 0.034(4) 0.049(4) 0.054(4) 0.001(3) 0.012(3) 0.002(3) N4 0.038(4) 0.039(3) 0.051(4) 0.006(3) 0.019(3) -0.002(3) N1 0.045(4) 0.049(4) 0.052(4) 0.005(3) 0.023(4) 0.012(3) C1 0.048(5) 0.037(4) 0.047(4) 0.000(3) 0.012(4) -0.004(3) C14 0.046(5) 0.053(5) 0.057(5) -0.016(4) 0.023(4) -0.003(4) C16 0.049(6) 0.071(6) 0.038(4) -0.004(4) 0.009(4) -0.011(4) C11 0.037(5) 0.040(4) 0.062(5) -0.011(4) 0.012(4) -0.003(3) C13 0.043(5) 0.058(5) 0.045(4) 0.004(3) 0.014(4) -0.001(4) C17 0.050(6) 0.049(4) 0.051(5) 0.003(4) 0.022(4) -0.003(4) C2 0.062(6) 0.040(4) 0.047(4) 0.007(3) 0.019(4) 0.004(4) C15 0.051(6) 0.054(5) 0.058(5) -0.009(4) 0.023(4) -0.010(4) C10 0.046(5) 0.045(4) 0.061(5) 0.001(4) 0.018(4) 0.003(4) C12 0.040(5) 0.060(5) 0.044(4) -0.004(3) 0.018(4) -0.005(4) Pt2 0.0429(4) 0.0409(4) 0.0370(4) -0.00014(11) 0.01203(16) 0.00050(13) N8 0.041(4) 0.038(3) 0.046(4) -0.002(3) 0.014(3) -0.004(3) N5 0.040(4) 0.054(4) 0.040(4) -0.001(3) 0.013(3) -0.010(3) C30 0.042(5) 0.043(4) 0.044(4) 0.006(3) 0.016(4) -0.005(3) C29 0.029(4) 0.052(4) 0.046(4) 0.002(3) 0.013(4) -0.003(3) C26 0.057(6) 0.057(5) 0.034(4) 0.006(3) 0.024(4) 0.009(4) N7 0.049(4) 0.043(4) 0.038(3) -0.002(3) 0.008(3) 0.001(3) C19 0.041(5) 0.043(4) 0.048(4) 0.000(3) 0.015(4) -0.003(3) C18 0.036(5) 0.038(4) 0.051(4) -0.005(3) 0.014(4) -0.001(3) C23 0.059(6) 0.048(4) 0.047(5) 0.000(4) 0.023(4) 0.004(4) C27 0.050(6) 0.061(5) 0.045(5) 0.005(4) 0.016(4) 0.008(4) C25 0.043(5) 0.051(5) 0.045(4) 0.002(3) 0.019(4) 0.002(4) C28 0.045(5) 0.042(4) 0.045(4) 0.002(3) 0.022(4) -0.003(3) C32 0.062(6) 0.045(4) 0.050(5) 0.007(4) 0.012(4) -0.010(4) C7 0.052(6) 0.063(5) 0.046(5) -0.002(4) 0.008(4) 0.004(4) O1 0.054(4) 0.053(3) 0.050(3) -0.003(3) 0.023(3) -0.002(3) C4 0.048(6) 0.054(5) 0.048(5) -0.002(4) 0.012(4) 0.000(4) C3 0.071(7) 0.079(6) 0.080(7) 0.026(5) 0.047(6) 0.029(5) C5 0.044(5) 0.049(4) 0.043(4) -0.007(3) 0.007(4) -0.001(4) C34 0.052(6) 0.049(4) 0.040(4) 0.001(3) 0.014(4) -0.005(4) C9 0.041(5) 0.046(4) 0.058(5) 0.011(4) 0.014(4) -0.003(4) C33 0.040(5) 0.046(4) 0.052(5) -0.004(3) 0.009(4) -0.001(4) C31 0.055(6) 0.041(4) 0.054(5) 0.007(3) 0.023(4) 0.000(4) C8 0.047(6) 0.046(5) 0.059(5) -0.007(4) 0.016(4) -0.004(4) O2 0.055(4) 0.046(3) 0.050(3) 0.002(2) 0.017(3) 0.003(3) O3 0.053(4) 0.050(3) 0.048(3) 0.005(2) 0.019(3) 0.016(3) N6 0.046(4) 0.047(3) 0.030(3) -0.002(3) 0.010(3) 0.002(3) C20 0.036(5) 0.049(4) 0.041(4) 0.003(3) 0.009(4) 0.002(3) C6 0.048(5) 0.044(4) 0.046(5) 0.002(3) 0.018(4) -0.002(4) C21 0.056(6) 0.047(4) 0.036(4) 0.005(3) 0.014(4) -0.004(4) C24 0.060(6) 0.046(4) 0.054(5) 0.001(4) 0.014(5) 0.010(4) O4 0.053(4) 0.048(3) 0.041(3) 0.002(2) 0.005(3) 0.002(3) N2 0.044(4) 0.049(4) 0.047(4) 0.008(3) 0.017(3) 0.012(3) C22 0.050(5) 0.041(4) 0.047(4) 0.001(3) 0.022(4) -0.005(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 N1 2.007(6) . ? Pt1 N3 2.022(6) . ? Pt1 C1 2.045(7) . ? Pt1 N4 2.085(6) . ? N3 C17 1.334(10) . ? N3 C13 1.371(10) . ? N4 C8 1.349(10) . ? N4 C12 1.353(9) . ? N1 C6 1.353(10) . ? N1 N2 1.394(8) . ? C1 C2 1.548(10) . ? C1 H1A 0.9900 . ? C1 H1B 0.9900 . ? C14 C13 1.382(10) . ? C14 C15 1.388(12) . ? C14 H14 0.9500 . ? C16 C15 1.382(12) . ? C16 C17 1.390(11) . ? C16 H16 0.9501 . ? C11 C10 1.376(11) . ? C11 C12 1.401(11) . ? C11 H11 0.9500 . ? C13 C12 1.455(10) . ? C17 H17 0.9500 . ? C2 N2 1.452(9) . ? C2 C3 1.539(12) . ? C2 H2 1.0000 . ? C15 H15 0.9500 . ? C10 C9 1.387(11) . ? C10 H10 0.9500 . ? Pt2 N5 2.006(6) . ? Pt2 N8 2.013(6) . ? Pt2 C18 2.035(7) . ? Pt2 N7 2.082(6) . ? N8 C34 1.344(9) . ? N8 C30 1.367(9) . ? N5 C23 1.369(10) . ? N5 N6 1.417(8) . ? C30 C31 1.381(10) . ? C30 C29 1.466(10) . ? C29 C28 1.372(10) . ? C29 N7 1.374(9) . ? C26 C25 1.353(10) . ? C26 C27 1.382(11) . ? C26 H26 0.9500 . ? N7 C25 1.348(9) . ? C19 N6 1.470(9) . ? C19 C20 1.505(11) . ? C19 C18 1.545(10) . ? C19 H19 1.0000 . ? C18 H18A 0.9900 . ? C18 H18B 0.9900 . ? C23 O4 1.242(10) . ? C23 C24 1.523(11) . ? C27 C28 1.388(10) . ? C27 H27 0.9500 . ? C25 H25 0.9500 . ? C28 H28 0.9500 . ? C32 C33 1.375(10) . ? C32 C31 1.381(11) . ? C32 H32 0.9500 . ? C7 C6 1.506(10) . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? O1 C5 1.225(9) . ? C4 C5 1.497(11) . ? C4 C3 1.511(10) . ? C4 H4A 0.9900 . ? C4 H4B 0.9900 . ? C3 H3A 0.9900 . ? C3 H3B 0.9900 . ? C5 N2 1.341(10) . ? C34 C33 1.375(10) . ? C34 H34 0.9500 . ? C9 C8 1.370(11) . ? C9 H9 0.9500 . ? C33 H33 0.9500 . ? C31 H31 0.9500 . ? C8 H8 0.9500 . ? O2 C6 1.237(9) . ? O3 C22 1.245(8) . ? N6 C22 1.333(10) . ? C20 C21 1.539(10) . ? C20 H20A 0.9900 . ? C20 H20B 0.9900 . ? C21 C22 1.496(10) . ? C21 H21A 0.9900 . ? C21 H21B 0.9900 . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 Pt1 N3 178.5(3) . . ? N1 Pt1 C1 81.8(3) . . ? N3 Pt1 C1 98.3(3) . . ? N1 Pt1 N4 100.7(2) . . ? N3 Pt1 N4 79.3(2) . . ? C1 Pt1 N4 174.9(3) . . ? C17 N3 C13 118.7(7) . . ? C17 N3 Pt1 125.7(5) . . ? C13 N3 Pt1 115.5(5) . . ? C8 N4 C12 119.4(6) . . ? C8 N4 Pt1 126.4(5) . . ? C12 N4 Pt1 114.2(5) . . ? C6 N1 N2 116.6(6) . . ? C6 N1 Pt1 129.2(5) . . ? N2 N1 Pt1 109.9(5) . . ? C2 C1 Pt1 110.9(5) . . ? C2 C1 H1A 109.5 . . ? Pt1 C1 H1A 109.5 . . ? C2 C1 H1B 109.5 . . ? Pt1 C1 H1B 109.5 . . ? H1A C1 H1B 108.0 . . ? C13 C14 C15 120.4(8) . . ? C13 C14 H14 119.8 . . ? C15 C14 H14 119.8 . . ? C15 C16 C17 119.2(8) . . ? C15 C16 H16 120.4 . . ? C17 C16 H16 120.4 . . ? C10 C11 C12 118.9(7) . . ? C10 C11 H11 120.5 . . ? C12 C11 H11 120.5 . . ? N3 C13 C14 120.7(7) . . ? N3 C13 C12 115.3(7) . . ? C14 C13 C12 123.9(8) . . ? N3 C17 C16 122.6(8) . . ? N3 C17 H17 118.7 . . ? C16 C17 H17 118.7 . . ? N2 C2 C3 102.1(6) . . ? N2 C2 C1 108.1(6) . . ? C3 C2 C1 117.4(8) . . ? N2 C2 H2 109.6 . . ? C3 C2 H2 109.6 . . ? C1 C2 H2 109.6 . . ? C16 C15 C14 118.3(8) . . ? C16 C15 H15 120.9 . . ? C14 C15 H15 120.9 . . ? C11 C10 C9 120.3(7) . . ? C11 C10 H10 119.9 . . ? C9 C10 H10 119.9 . . ? N4 C12 C11 120.5(7) . . ? N4 C12 C13 115.4(7) . . ? C11 C12 C13 124.1(7) . . ? N5 Pt2 N8 178.0(2) . . ? N5 Pt2 C18 82.6(3) . . ? N8 Pt2 C18 96.4(3) . . ? N5 Pt2 N7 101.6(2) . . ? N8 Pt2 N7 79.5(2) . . ? C18 Pt2 N7 174.4(3) . . ? C34 N8 C30 118.4(6) . . ? C34 N8 Pt2 125.1(5) . . ? C30 N8 Pt2 116.5(5) . . ? C23 N5 N6 114.7(6) . . ? C23 N5 Pt2 127.6(6) . . ? N6 N5 Pt2 110.8(4) . . ? N8 C30 C31 120.8(7) . . ? N8 C30 C29 115.1(6) . . ? C31 C30 C29 124.1(7) . . ? C28 C29 N7 121.8(7) . . ? C28 C29 C30 123.5(7) . . ? N7 C29 C30 114.7(6) . . ? C25 C26 C27 120.6(7) . . ? C25 C26 H26 119.7 . . ? C27 C26 H26 119.7 . . ? C25 N7 C29 118.1(6) . . ? C25 N7 Pt2 127.7(5) . . ? C29 N7 Pt2 114.1(5) . . ? N6 C19 C20 102.2(6) . . ? N6 C19 C18 108.4(6) . . ? C20 C19 C18 117.9(6) . . ? N6 C19 H19 109.3 . . ? C20 C19 H19 109.3 . . ? C18 C19 H19 109.3 . . ? C19 C18 Pt2 111.7(5) . . ? C19 C18 H18A 109.3 . . ? Pt2 C18 H18A 109.3 . . ? C19 C18 H18B 109.3 . . ? Pt2 C18 H18B 109.3 . . ? H18A C18 H18B 107.9 . . ? O4 C23 N5 121.1(7) . . ? O4 C23 C24 120.1(8) . . ? N5 C23 C24 118.8(8) . . ? C26 C27 C28 118.5(7) . . ? C26 C27 H27 120.8 . . ? C28 C27 H27 120.8 . . ? N7 C25 C26 122.0(7) . . ? N7 C25 H25 119.0 . . ? C26 C25 H25 119.0 . . ? C29 C28 C27 119.0(7) . . ? C29 C28 H28 120.5 . . ? C27 C28 H28 120.5 . . ? C33 C32 C31 119.3(7) . . ? C33 C32 H32 120.4 . . ? C31 C32 H32 120.4 . . ? C6 C7 H7A 109.5 . . ? C6 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? C6 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? C5 C4 C3 105.7(7) . . ? C5 C4 H4A 110.6 . . ? C3 C4 H4A 110.6 . . ? C5 C4 H4B 110.6 . . ? C3 C4 H4B 110.6 . . ? H4A C4 H4B 108.7 . . ? C4 C3 C2 106.6(7) . . ? C4 C3 H3A 110.4 . . ? C2 C3 H3A 110.4 . . ? C4 C3 H3B 110.4 . . ? C2 C3 H3B 110.4 . . ? H3A C3 H3B 108.6 . . ? O1 C5 N2 125.4(7) . . ? O1 C5 C4 127.5(8) . . ? N2 C5 C4 107.0(7) . . ? N8 C34 C33 122.5(7) . . ? N8 C34 H34 118.7 . . ? C33 C34 H34 118.7 . . ? C8 C9 C10 118.1(7) . . ? C8 C9 H9 120.9 . . ? C10 C9 H9 120.9 . . ? C32 C33 C34 118.9(7) . . ? C32 C33 H33 120.6 . . ? C34 C33 H33 120.6 . . ? C32 C31 C30 119.6(7) . . ? C32 C31 H31 120.2 . . ? C30 C31 H31 120.2 . . ? N4 C8 C9 122.7(7) . . ? N4 C8 H8 118.6 . . ? C9 C8 H8 118.6 . . ? C22 N6 N5 129.8(6) . . ? C22 N6 C19 115.4(6) . . ? N5 N6 C19 113.6(6) . . ? C19 C20 C21 104.5(6) . . ? C19 C20 H20A 110.9 . . ? C21 C20 H20A 110.9 . . ? C19 C20 H20B 110.9 . . ? C21 C20 H20B 110.9 . . ? H20A C20 H20B 108.9 . . ? O2 C6 N1 121.0(7) . . ? O2 C6 C7 121.6(8) . . ? N1 C6 C7 117.4(7) . . ? C22 C21 C20 103.6(6) . . ? C22 C21 H21A 111.0 . . ? C20 C21 H21A 111.0 . . ? C22 C21 H21B 111.0 . . ? C20 C21 H21B 111.0 . . ? H21A C21 H21B 109.0 . . ? C23 C24 H24A 109.5 . . ? C23 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C23 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C5 N2 N1 126.1(6) . . ? C5 N2 C2 116.7(7) . . ? N1 N2 C2 113.7(6) . . ? O3 C22 N6 125.2(7) . . ? O3 C22 C21 128.1(8) . . ? N6 C22 C21 106.7(6) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C1 Pt1 N3 C17 1.8(7) . . . . ? N4 Pt1 N3 C17 177.3(7) . . . . ? C1 Pt1 N3 C13 -179.9(6) . . . . ? N4 Pt1 N3 C13 -4.5(6) . . . . ? N1 Pt1 N4 C8 7.5(7) . . . . ? N3 Pt1 N4 C8 -174.0(7) . . . . ? N1 Pt1 N4 C12 -175.9(5) . . . . ? N3 Pt1 N4 C12 2.6(5) . . . . ? C1 Pt1 N1 C6 -128.0(7) . . . . ? N4 Pt1 N1 C6 56.5(7) . . . . ? C1 Pt1 N1 N2 27.5(5) . . . . ? N4 Pt1 N1 N2 -148.0(5) . . . . ? N1 Pt1 C1 C2 -7.1(6) . . . . ? N3 Pt1 C1 C2 174.4(6) . . . . ? C17 N3 C13 C14 1.2(12) . . . . ? Pt1 N3 C13 C14 -177.2(6) . . . . ? C17 N3 C13 C12 -176.0(7) . . . . ? Pt1 N3 C13 C12 5.6(9) . . . . ? C15 C14 C13 N3 -1.7(12) . . . . ? C15 C14 C13 C12 175.3(8) . . . . ? C13 N3 C17 C16 -0.5(12) . . . . ? Pt1 N3 C17 C16 177.7(6) . . . . ? C15 C16 C17 N3 0.3(13) . . . . ? Pt1 C1 C2 N2 -13.3(8) . . . . ? Pt1 C1 C2 C3 -128.0(6) . . . . ? C17 C16 C15 C14 -0.7(13) . . . . ? C13 C14 C15 C16 1.4(13) . . . . ? C12 C11 C10 C9 -1.2(12) . . . . ? C8 N4 C12 C11 -2.2(11) . . . . ? Pt1 N4 C12 C11 -179.1(6) . . . . ? C8 N4 C12 C13 176.4(7) . . . . ? Pt1 N4 C12 C13 -0.5(9) . . . . ? C10 C11 C12 N4 3.1(12) . . . . ? C10 C11 C12 C13 -175.4(8) . . . . ? N3 C13 C12 N4 -3.3(11) . . . . ? C14 C13 C12 N4 179.6(8) . . . . ? N3 C13 C12 C11 175.3(7) . . . . ? C14 C13 C12 C11 -1.8(13) . . . . ? C18 Pt2 N8 C34 7.4(7) . . . . ? N7 Pt2 N8 C34 -176.5(7) . . . . ? C18 Pt2 N8 C30 -173.5(6) . . . . ? N7 Pt2 N8 C30 2.6(6) . . . . ? C18 Pt2 N5 C23 -125.0(6) . . . . ? N7 Pt2 N5 C23 58.8(6) . . . . ? C18 Pt2 N5 N6 24.0(5) . . . . ? N7 Pt2 N5 N6 -152.2(5) . . . . ? C34 N8 C30 C31 -4.9(12) . . . . ? Pt2 N8 C30 C31 175.9(6) . . . . ? C34 N8 C30 C29 175.8(7) . . . . ? Pt2 N8 C30 C29 -3.4(9) . . . . ? N8 C30 C29 C28 -176.4(7) . . . . ? C31 C30 C29 C28 4.4(13) . . . . ? N8 C30 C29 N7 2.1(10) . . . . ? C31 C30 C29 N7 -177.1(8) . . . . ? C28 C29 N7 C25 1.5(11) . . . . ? C30 C29 N7 C25 -177.1(7) . . . . ? C28 C29 N7 Pt2 178.6(6) . . . . ? C30 C29 N7 Pt2 0.0(9) . . . . ? N5 Pt2 N7 C25 -2.9(7) . . . . ? N8 Pt2 N7 C25 175.4(7) . . . . ? N5 Pt2 N7 C29 -179.7(5) . . . . ? N8 Pt2 N7 C29 -1.4(6) . . . . ? N6 C19 C18 Pt2 -14.5(8) . . . . ? C20 C19 C18 Pt2 -129.9(6) . . . . ? N5 Pt2 C18 C19 -4.6(5) . . . . ? N8 Pt2 C18 C19 177.1(5) . . . . ? N6 N5 C23 O4 -171.8(6) . . . . ? Pt2 N5 C23 O4 -23.8(10) . . . . ? N6 N5 C23 C24 6.7(10) . . . . ? Pt2 N5 C23 C24 154.7(6) . . . . ? C25 C26 C27 C28 -1.1(13) . . . . ? C29 N7 C25 C26 -0.1(12) . . . . ? Pt2 N7 C25 C26 -176.8(6) . . . . ? C27 C26 C25 N7 -0.1(13) . . . . ? N7 C29 C28 C27 -2.7(12) . . . . ? C30 C29 C28 C27 175.8(7) . . . . ? C26 C27 C28 C29 2.5(12) . . . . ? C5 C4 C3 C2 -12.9(10) . . . . ? N2 C2 C3 C4 7.2(10) . . . . ? C1 C2 C3 C4 125.3(8) . . . . ? C3 C4 C5 O1 -169.7(8) . . . . ? C3 C4 C5 N2 14.0(9) . . . . ? C30 N8 C34 C33 -0.7(12) . . . . ? Pt2 N8 C34 C33 178.4(6) . . . . ? C11 C10 C9 C8 -1.5(13) . . . . ? C31 C32 C33 C34 -4.8(13) . . . . ? N8 C34 C33 C32 5.6(13) . . . . ? C33 C32 C31 C30 -0.6(13) . . . . ? N8 C30 C31 C32 5.6(12) . . . . ? C29 C30 C31 C32 -175.3(8) . . . . ? C12 N4 C8 C9 -0.6(12) . . . . ? Pt1 N4 C8 C9 175.9(6) . . . . ? C10 C9 C8 N4 2.5(13) . . . . ? C23 N5 N6 C22 -80.2(9) . . . . ? Pt2 N5 N6 C22 126.6(7) . . . . ? C23 N5 N6 C19 113.0(7) . . . . ? Pt2 N5 N6 C19 -40.2(7) . . . . ? C20 C19 N6 C22 -8.2(8) . . . . ? C18 C19 N6 C22 -133.4(7) . . . . ? C20 C19 N6 N5 160.6(6) . . . . ? C18 C19 N6 N5 35.4(8) . . . . ? N6 C19 C20 C21 21.8(7) . . . . ? C18 C19 C20 C21 140.5(6) . . . . ? N2 N1 C6 O2 -172.2(6) . . . . ? Pt1 N1 C6 O2 -18.0(11) . . . . ? N2 N1 C6 C7 7.4(9) . . . . ? Pt1 N1 C6 C7 161.6(5) . . . . ? C19 C20 C21 C22 -27.6(8) . . . . ? O1 C5 N2 N1 16.0(13) . . . . ? C4 C5 N2 N1 -167.6(7) . . . . ? O1 C5 N2 C2 173.4(7) . . . . ? C4 C5 N2 C2 -10.1(9) . . . . ? C6 N1 N2 C5 -87.6(10) . . . . ? Pt1 N1 N2 C5 113.4(7) . . . . ? C6 N1 N2 C2 114.3(7) . . . . ? Pt1 N1 N2 C2 -44.6(8) . . . . ? C3 C2 N2 C5 1.8(9) . . . . ? C1 C2 N2 C5 -122.7(7) . . . . ? C3 C2 N2 N1 162.0(7) . . . . ? C1 C2 N2 N1 37.6(9) . . . . ? N5 N6 C22 O3 5.6(13) . . . . ? C19 N6 C22 O3 172.2(7) . . . . ? N5 N6 C22 C21 -176.3(7) . . . . ? C19 N6 C22 C21 -9.7(8) . . . . ? C20 C21 C22 O3 -159.0(8) . . . . ? C20 C21 C22 N6 23.0(8) . . . . ? _diffrn_measured_fraction_theta_max 0.879 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.991 _refine_diff_density_max 1.188 _refine_diff_density_min -0.624 _refine_diff_density_rms 0.100