data_1
_audit_creation_date               2020-04-29
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Bourhis, L.J., Dolomanov, O.V., Gildea, R.J., Howard, J.A.K., Puschmann, H.
 (2015). Acta Cryst. A71, 59-75.

Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C26 H18 Cu N6 O5'
_chemical_formula_sum              'C26 H18 Cu N6 O5'
_chemical_formula_weight           558.00
_chemical_melting_point            ?
_chemical_oxdiff_formula           'C H O N  Cu Co'
_chemical_oxdiff_usercomment       WJ7.28-276
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'
 'Cu' 'Cu' 0.3201 1.2651 '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'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             15
_space_group_name_H-M_alt          'C 1 2/c 1'
_space_group_name_Hall             '-C 2yc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'

_cell_length_a                     16.7521(5)
_cell_length_b                     11.7985(2)
_cell_length_c                     26.6238(11)
_cell_angle_alpha                  90
_cell_angle_beta                   110.842(4)
_cell_angle_gamma                  90
_cell_volume                       4917.9(3)
_cell_formula_units_Z              8
_cell_measurement_reflns_used      3312
_cell_measurement_temperature      293(2)
_cell_measurement_theta_max        26.3144
_cell_measurement_theta_min        2.8742
_shelx_estimated_absorpt_T_max     0.904
_shelx_estimated_absorpt_T_min     0.872
_exptl_absorpt_coefficient_mu      0.939
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.61112
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              blue
_exptl_crystal_colour_primary      blue
_exptl_crystal_density_diffrn      1.507
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               2280
_exptl_crystal_size_max            0.15
_exptl_crystal_size_mid            0.13
_exptl_crystal_size_min            0.11
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0303
_diffrn_reflns_av_unetI/netI       0.0333
_diffrn_reflns_Laue_measured_fraction_full  0.998
_diffrn_reflns_Laue_measured_fraction_max  0.878
_diffrn_reflns_limit_h_max         19
_diffrn_reflns_limit_h_min         -22
_diffrn_reflns_limit_k_max         14
_diffrn_reflns_limit_k_min         -15
_diffrn_reflns_limit_l_max         34
_diffrn_reflns_limit_l_min         -35
_diffrn_reflns_number              22593
_diffrn_reflns_point_group_measured_fraction_full  0.998
_diffrn_reflns_point_group_measured_fraction_max  0.878
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           29.395
_diffrn_reflns_theta_min           3.275
_diffrn_ambient_temperature        296.15
_diffrn_detector_area_resol_mean   16.2542
_diffrn_measured_fraction_theta_full  0.998
_diffrn_measured_fraction_theta_max  0.878
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -8.00   17.00   1.0000   90.0000
omega____ theta____ kappa____ phi______ frames
    -       18.2642   77.0000  -90.0000 25

#__ type_ start__ end____ width___ exp.time_
  2 omega   21.00   87.00   1.0000   90.0000
omega____ theta____ kappa____ phi______ frames
    -       18.2642   77.0000  -90.0000 66

#__ type_ start__ end____ width___ exp.time_
  3 omega  -47.00   48.00   1.0000   90.0000
omega____ theta____ kappa____ phi______ frames
    -       18.2642  -77.0000  150.0000 95

#__ type_ start__ end____ width___ exp.time_
  4 omega  -13.00   14.00   1.0000   90.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.8892  -99.0000   30.0000 27

#__ type_ start__ end____ width___ exp.time_
  5 omega  -69.00   -7.00   1.0000   90.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.8892  -19.0000  150.0000 62

#__ type_ start__ end____ width___ exp.time_
  6 omega  -56.00  -39.00   1.0000   90.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.8892  112.0000   -9.0000 17
;
_diffrn_measurement_device_type    'Xcalibur, Eos, Gemini'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_UB_11        -0.0187579000
_diffrn_orient_matrix_UB_12        -0.0120147000
_diffrn_orient_matrix_UB_13        -0.0328652000
_diffrn_orient_matrix_UB_21        0.0268134000
_diffrn_orient_matrix_UB_22        -0.0183184000
_diffrn_orient_matrix_UB_23        0.0198591000
_diffrn_orient_matrix_UB_31        -0.0642956000
_diffrn_orient_matrix_UB_32        -0.0041345000
_diffrn_orient_matrix_UB_33        0.0075597000
_diffrn_radiation_monochromator    graphite
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  5297
_reflns_number_total               5961
_reflns_odcompleteness_completeness  99.79
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       26.32
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max           0.606
_refine_diff_density_min           -0.734
_refine_diff_density_rms           0.083
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.061
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       344
_refine_ls_number_reflns           5961
_refine_ls_number_restraints       1
_refine_ls_R_factor_all            0.0486
_refine_ls_R_factor_gt             0.0419
_refine_ls_restrained_S_all        1.063
_refine_ls_shift/su_max            0.003
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0465P)²+14.6426P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1053
_refine_ls_wR_factor_ref           0.1092
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 H1-H2B_$1
 2.22 with sigma of 0.01
3.a Rotating group:
 O2(H2A,H2B)
3.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C8(H8), C10(H10), C13(H13), C14(H14), C15(H15), C18(H18),
 C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26)
;
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary       iterative
_atom_sites_solution_secondary     ?
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_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Cu1 Cu 0.37138(2) 0.85857(2) 0.65931(2) 0.01258(9) Uani 1 1 d . . . . .
 O1 O 0.25310(10) 0.79430(13) 0.62991(6) 0.0139(3) Uani 1 1 d . . . . .
 O2 O 0.39313(10) 0.80619(13) 0.73756(6) 0.0132(3) Uani 1 1 d . . . . .
 H2A H 0.346102 0.815977 0.746993 0.020 Uiso 1 1 d GR . . . .
 H2B H 0.432864 0.849710 0.762842 0.020 Uiso 1 1 d DGR . . . .
 O3 O -0.00669(10) 0.43698(13) 0.67414(6) 0.0128(3) Uani 1 1 d . . . . .
 O4 O -0.10673(10) 0.43049(13) 0.59350(6) 0.0156(3) Uani 1 1 d . . . . .
 O5 O 0.24919(10) 0.69442(15) 0.70127(6) 0.0194(4) Uani 1 1 d . . . . .
 N1 N 0.67808(12) 0.01859(16) 0.82870(8) 0.0145(4) Uani 1 1 d . . . . .
 N2 N 0.41445(12) 0.69845(15) 0.64388(7) 0.0124(4) Uani 1 1 d . . . . .
 N3 N 0.48404(12) 0.53122(15) 0.66430(7) 0.0131(4) Uani 1 1 d . . . . .
 N4 N 0.67318(12) 0.19539(15) 0.79465(8) 0.0144(4) Uani 1 1 d . . . . .
 N5 N 0.56405(13) 0.25968(16) 0.72063(8) 0.0157(4) Uani 1 1 d . . . . .
 N6 N 0.51574(13) 0.34186(16) 0.68884(8) 0.0155(4) Uani 1 1 d . . . . .
 C1 C 0.47690(14) 0.64247(18) 0.67906(9) 0.0129(4) Uani 1 1 d . . . . .
 H1 H 0.513150 0.674273 0.710988 0.015 Uiso 1 1 calc DR . . . .
 C2 C 0.21954(14) 0.72307(18) 0.65268(9) 0.0128(4) Uani 1 1 d . . . . .
 C3 C 0.63108(14) 0.09400(19) 0.79458(9) 0.0166(5) Uani 1 1 d . . . . .
 H3 H 0.574833 0.080668 0.772431 0.020 Uiso 1 1 calc R . . . .
 C4 C 0.75597(14) 0.18286(19) 0.83248(9) 0.0132(4) Uani 1 1 d . . . . .
 C5 C 0.75785(14) 0.07199(18) 0.85368(9) 0.0131(4) Uani 1 1 d . . . . .
 C6 C -0.03460(14) 0.46625(18) 0.62460(9) 0.0118(4) Uani 1 1 d . . . . .
 C7 C 0.37716(15) 0.62063(19) 0.60187(9) 0.0142(4) Uani 1 1 d . . . . .
 C8 C 0.83135(15) 0.0308(2) 0.89401(9) 0.0172(5) Uani 1 1 d . . . . .
 H8 H 0.832828 -0.041237 0.908541 0.021 Uiso 1 1 calc R . . . .
 C9 C 0.63354(14) 0.28910(18) 0.76143(9) 0.0139(4) Uani 1 1 d . . . . .
 C10 C 0.82790(14) 0.2540(2) 0.84911(9) 0.0160(4) Uani 1 1 d . . . . .
 H10 H 0.827025 0.325612 0.834334 0.019 Uiso 1 1 calc R . . . .
 C11 C 0.13610(14) 0.67151(19) 0.61644(9) 0.0142(4) Uani 1 1 d . . . . .
 C12 C 0.41912(15) 0.51452(19) 0.61424(9) 0.0152(4) Uani 1 1 d . . . . .
 C13 C 0.09301(14) 0.59105(18) 0.63650(9) 0.0127(4) Uani 1 1 d . . . . .
 H13 H 0.116717 0.567305 0.672057 0.015 Uiso 1 1 calc R . . . .
 C14 C 0.90210(15) 0.1023(2) 0.91139(9) 0.0192(5) Uani 1 1 d . . . . .
 H14 H 0.951610 0.077855 0.938443 0.023 Uiso 1 1 calc R . . . .
 C15 C 0.90045(15) 0.2116(2) 0.88885(9) 0.0184(5) Uani 1 1 d . . . . .
 H15 H 0.949386 0.256183 0.901007 0.022 Uiso 1 1 calc R . . . .
 C16 C 0.01478(14) 0.54678(19) 0.60317(9) 0.0142(4) Uani 1 1 d . . . . .
 C17 C 0.54114(14) 0.45019(18) 0.69756(9) 0.0133(4) Uani 1 1 d . . . . .
 C18 C 0.10066(16) 0.7058(2) 0.56291(10) 0.0224(5) Uani 1 1 d . . . . .
 H18 H 0.129236 0.758066 0.549284 0.027 Uiso 1 1 calc R . . . .
 C19 C 0.61691(15) 0.48576(19) 0.73819(10) 0.0175(5) Uani 1 1 d . . . . .
 H19 H 0.634445 0.561065 0.741828 0.021 Uiso 1 1 calc R . . . .
 C20 C 0.30979(17) 0.6370(2) 0.55296(10) 0.0215(5) Uani 1 1 d . . . . .
 H20 H 0.281851 0.706366 0.544128 0.026 Uiso 1 1 calc R . . . .
 C21 C 0.66361(15) 0.4022(2) 0.77229(10) 0.0185(5) Uani 1 1 d . . . . .
 H21 H 0.712898 0.419354 0.801282 0.022 Uiso 1 1 calc R . . . .
 C22 C 0.28651(18) 0.5446(2) 0.51808(10) 0.0273(6) Uani 1 1 d . . . . .
 H22 H 0.241758 0.552557 0.485367 0.033 Uiso 1 1 calc R . . . .
 C23 C 0.39598(17) 0.4205(2) 0.57932(10) 0.0234(5) Uani 1 1 d . . . . .
 H23 H 0.423625 0.350961 0.588022 0.028 Uiso 1 1 calc R . . . .
 C24 C -0.02056(16) 0.5824(2) 0.54995(10) 0.0243(6) Uani 1 1 d . . . . .
 H24 H -0.072836 0.553408 0.527750 0.029 Uiso 1 1 calc R . . . .
 C25 C 0.02236(19) 0.6617(3) 0.52982(10) 0.0313(7) Uani 1 1 d . . . . .
 H25 H -0.001375 0.685077 0.494209 0.038 Uiso 1 1 calc R . . . .
 C26 C 0.32905(19) 0.4388(2) 0.53102(11) 0.0295(6) Uani 1 1 d . . . . .
 H26 H 0.311599 0.379760 0.506386 0.035 Uiso 1 1 calc R . . . .


_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
 Cu1 O1 2.0026(15) . ?
 Cu1 O2 2.0773(15) . ?
 Cu1 O3 2.1470(15) 3 ?
 Cu1 O4 2.0932(16) 3 ?
 Cu1 N1 2.1310(19) 2_666 ?
 Cu1 N2 2.1140(18) . ?
 Cu1 C6 2.446(2) 3 ?
 O1 C2 1.278(3) . ?
 O2 H2A 0.9153 . ?
 O2 H2B 0.9170 . ?
 O3 C6 1.280(3) . ?
 O4 C6 1.270(3) . ?
 O5 C2 1.256(3) . ?
 N1 C3 1.314(3) . ?
 N1 C5 1.412(3) . ?
 N2 C1 1.308(3) . ?
 N2 C7 1.410(3) . ?
 N3 C1 1.387(3) . ?
 N3 C12 1.402(3) . ?
 N3 C17 1.418(3) . ?
 N4 C3 1.388(3) . ?
 N4 C4 1.402(3) . ?
 N4 C9 1.424(3) . ?
 N5 N6 1.351(3) . ?
 N5 C9 1.325(3) . ?
 N6 C17 1.341(3) . ?
 C1 H1 0.9300 . ?
 C2 C11 1.515(3) . ?
 C3 H3 0.9300 . ?
 C4 C5 1.421(3) . ?
 C4 C10 1.404(3) . ?
 C5 C8 1.402(3) . ?
 C6 C16 1.500(3) . ?
 C7 C12 1.416(3) . ?
 C7 C20 1.400(3) . ?
 C8 H8 0.9300 . ?
 C8 C14 1.393(3) . ?
 C9 C21 1.420(3) . ?
 C10 H10 0.9300 . ?
 C10 C15 1.390(3) . ?
 C11 C13 1.408(3) . ?
 C11 C18 1.395(3) . ?
 C12 C23 1.410(3) . ?
 C13 H13 0.9300 . ?
 C13 C16 1.397(3) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.418(3) . ?
 C15 H15 0.9300 . ?
 C16 C24 1.392(3) . ?
 C17 C19 1.407(3) . ?
 C18 H18 0.9300 . ?
 C18 C25 1.395(3) . ?
 C19 H19 0.9300 . ?
 C19 C21 1.379(3) . ?
 C20 H20 0.9300 . ?
 C20 C22 1.395(4) . ?
 C21 H21 0.9300 . ?
 C22 H22 0.9300 . ?
 C22 C26 1.417(4) . ?
 C23 H23 0.9300 . ?
 C23 C26 1.390(4) . ?
 C24 H24 0.9300 . ?
 C24 C25 1.398(4) . ?
 C25 H25 0.9300 . ?
 C26 H26 0.9300 . ?

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
 O1 Cu1 O2 94.32(6) . . ?
 O1 Cu1 O3 168.32(6) . 3 ?
 O1 Cu1 O4 105.66(6) . 3 ?
 O1 Cu1 N1 90.61(7) . 2_666 ?
 O1 Cu1 N2 86.80(7) . . ?
 O1 Cu1 C6 136.85(7) . 3 ?
 O2 Cu1 O3 97.35(6) . 3 ?
 O2 Cu1 O4 160.00(6) . 3 ?
 O2 Cu1 N1 92.98(7) . 2_666 ?
 O2 Cu1 N2 88.78(7) . . ?
 O2 Cu1 C6 128.80(7) . 3 ?
 O3 Cu1 C6 31.51(6) 3 3 ?
 O4 Cu1 O3 62.67(6) 3 3 ?
 O4 Cu1 N1 87.68(7) 3 2_666 ?
 O4 Cu1 N2 91.50(7) 3 . ?
 O4 Cu1 C6 31.27(6) 3 3 ?
 N1 Cu1 O3 89.19(7) 2_666 3 ?
 N1 Cu1 C6 86.18(7) 2_666 3 ?
 N2 Cu1 O3 93.02(7) . 3 ?
 N2 Cu1 N1 176.97(7) . 2_666 ?
 N2 Cu1 C6 94.63(7) . 3 ?
 C2 O1 Cu1 127.22(14) . . ?
 Cu1 O2 H2A 112.1 . . ?
 Cu1 O2 H2B 113.1 . . ?
 H2A O2 H2B 101.5 . . ?
 C6 O3 Cu1 87.24(12) . 3_445 ?
 C6 O4 Cu1 89.89(13) . 3_445 ?
 C3 N1 Cu1 122.28(15) . 2_646 ?
 C3 N1 C5 104.91(18) . . ?
 C5 N1 Cu1 132.71(15) . 2_646 ?
 C1 N2 Cu1 123.61(15) . . ?
 C1 N2 C7 104.77(18) . . ?
 C7 N2 Cu1 130.60(15) . . ?
 C1 N3 C12 106.63(18) . . ?
 C1 N3 C17 124.61(18) . . ?
 C12 N3 C17 128.43(19) . . ?
 C3 N4 C4 106.41(18) . . ?
 C3 N4 C9 122.94(19) . . ?
 C4 N4 C9 130.65(19) . . ?
 C9 N5 N6 118.78(19) . . ?
 C17 N6 N5 119.56(19) . . ?
 N2 C1 N3 113.74(19) . . ?
 N2 C1 H1 123.1 . . ?
 N3 C1 H1 123.1 . . ?
 O1 C2 C11 115.10(19) . . ?
 O5 C2 O1 125.9(2) . . ?
 O5 C2 C11 119.01(19) . . ?
 N1 C3 N4 113.78(19) . . ?
 N1 C3 H3 123.1 . . ?
 N4 C3 H3 123.1 . . ?
 N4 C4 C5 105.00(18) . . ?
 N4 C4 C10 133.0(2) . . ?
 C10 C4 C5 122.0(2) . . ?
 N1 C5 C4 109.91(18) . . ?
 C8 C5 N1 129.2(2) . . ?
 C8 C5 C4 120.9(2) . . ?
 O3 C6 Cu1 61.25(11) . 3_445 ?
 O3 C6 C16 120.95(19) . . ?
 O4 C6 Cu1 58.84(11) . 3_445 ?
 O4 C6 O3 119.77(19) . . ?
 O4 C6 C16 119.22(19) . . ?
 C16 C6 Cu1 171.62(16) . 3_445 ?
 N2 C7 C12 110.37(19) . . ?
 C20 C7 N2 129.1(2) . . ?
 C20 C7 C12 120.5(2) . . ?
 C5 C8 H8 121.5 . . ?
 C14 C8 C5 117.1(2) . . ?
 C14 C8 H8 121.5 . . ?
 N5 C9 N4 112.67(19) . . ?
 N5 C9 C21 123.9(2) . . ?
 C21 C9 N4 123.4(2) . . ?
 C4 C10 H10 121.8 . . ?
 C15 C10 C4 116.4(2) . . ?
 C15 C10 H10 121.8 . . ?
 C13 C11 C2 120.7(2) . . ?
 C18 C11 C2 119.7(2) . . ?
 C18 C11 C13 119.6(2) . . ?
 N3 C12 C7 104.47(18) . . ?
 N3 C12 C23 132.5(2) . . ?
 C23 C12 C7 123.0(2) . . ?
 C11 C13 H13 119.9 . . ?
 C16 C13 C11 120.2(2) . . ?
 C16 C13 H13 119.9 . . ?
 C8 C14 H14 119.2 . . ?
 C8 C14 C15 121.6(2) . . ?
 C15 C14 H14 119.2 . . ?
 C10 C15 C14 122.0(2) . . ?
 C10 C15 H15 119.0 . . ?
 C14 C15 H15 119.0 . . ?
 C13 C16 C6 121.0(2) . . ?
 C24 C16 C6 119.1(2) . . ?
 C24 C16 C13 119.8(2) . . ?
 N6 C17 N3 115.63(19) . . ?
 N6 C17 C19 124.1(2) . . ?
 C19 C17 N3 120.2(2) . . ?
 C11 C18 H18 120.0 . . ?
 C25 C18 C11 120.0(2) . . ?
 C25 C18 H18 120.0 . . ?
 C17 C19 H19 122.0 . . ?
 C21 C19 C17 116.0(2) . . ?
 C21 C19 H19 122.0 . . ?
 C7 C20 H20 121.5 . . ?
 C22 C20 C7 116.9(2) . . ?
 C22 C20 H20 121.5 . . ?
 C9 C21 H21 121.3 . . ?
 C19 C21 C9 117.4(2) . . ?
 C19 C21 H21 121.3 . . ?
 C20 C22 H22 119.0 . . ?
 C20 C22 C26 122.0(2) . . ?
 C26 C22 H22 119.0 . . ?
 C12 C23 H23 122.3 . . ?
 C26 C23 C12 115.4(2) . . ?
 C26 C23 H23 122.3 . . ?
 C16 C24 H24 119.9 . . ?
 C16 C24 C25 120.1(2) . . ?
 C25 C24 H24 119.9 . . ?
 C18 C25 C24 120.3(2) . . ?
 C18 C25 H25 119.9 . . ?
 C24 C25 H25 119.9 . . ?
 C22 C26 H26 118.9 . . ?
 C23 C26 C22 122.2(2) . . ?
 C23 C26 H26 118.9 . . ?

_olex2_submission_special_instructions  'No special instructions were received'
