data_tbltbi_mo
_nottingham_internal_coll_name     TBLTBI
_nottingham_internal_coll_number   18101
_nottingham_internal_coll_client   TB/LTB
_nottingham_internal_coll_type     custom
_nottingham_internal_coll_frame_method  '\w scans'
_nottingham_internal_coll_frame_time  60.00
_nottingham_internal_coll_frame_width  1.00
_nottingham_internal_coll_user     pczspa
_nottingham_internal_coll_date     19/03/2019
_nottingham_internal_coll_location  NOTTS
_nottingham_internal_coll_instrument  'SN, XDA 017-09'
_nottingham_internal_NCS_number    ?
_nottingham_internal_process_date  29/03/2019
_nottingham_internal_process_user  pczspa
_nottingham_internal_solution_date  29/03/2019
_nottingham_internal_solution_user  pczspa
_nottingham_internal_refinement_date  17/06/2019
_nottingham_internal_refinement_user  pczspa
_nottingham_internal_self_archive_date  ?
_nottingham_internal_self_validation_date  ?
_nottingham_internal_self_validation_user  ?
_nottingham_internal_validation_date  17/06/2019
_nottingham_internal_validation_user  pczspa
_nottingham_internal_archive_date  ?
_refine_special_details
;
Hydrogen atoms were observed in the electron density map before being geometrically placed and refined 

using a riding model.

 Conformational disorder is observed in carbon atoms C18 and C19 of one of the methylcyclopentane 

moieties. The occupancies of the two components were refined and constrained to sum to unity giving 

values of 0.71(1) and 0.29(1). Rigid bond and similarity restraints were applied to anisotropic 

displacement parameters of the carbon atoms of the disordered moiety (RIGU, SIMU). Geometric restraints 

were applied to the 1,2 bond distances of the symmetry related carbon bonds of both the disordered and 

ordered methylcyclopentane moeities (DFIX).

 A partial occupancy water residue is observed in a cleft between the main residues. The occupancy of the 

 water oxygen atom was allowed to refine freely to a value of 0.11(1). The hydrogen atoms of the low occupancy water residue were not observed in the electron density map and not inlcuded in the model, however they are included in the unit cell contents.
;
_audit_creation_date               2019-06-17
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2017/1'
_publ_contact_author_id_orcid      ?
_publ_section_references
;
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. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C24 H31 Au Cl P, 0.11(O)'
_chemical_formula_sum              'C24 H31.22 Au Cl O0.11 P'
_chemical_formula_weight           584.85
_chemical_melting_point            ?
_chemical_oxdiff_formula           C26H31AuClP
_chemical_oxdiff_usercomment       'TBLTBI #18101 SN-1480 TB/LB Fomblin 120K'
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'
 'Au' 'Au' -2.0133 8.8022
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cl' 'Cl' 0.1484 0.1585 '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'
 'P' 'P' 0.1023 0.0942 '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             14
_space_group_name_H-M_alt          'P 1 21/n 1'
_space_group_name_Hall             '-P 2yn'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                     8.7107(2)
_cell_length_b                     9.9662(3)
_cell_length_c                     25.5485(6)
_cell_angle_alpha                  90
_cell_angle_beta                   96.659(2)
_cell_angle_gamma                  90
_cell_volume                       2202.97(10)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      24975
_cell_measurement_temperature      120(2)
_cell_measurement_theta_max        28.6200
_cell_measurement_theta_min        3.7430
_shelx_estimated_absorpt_T_max     0.720
_shelx_estimated_absorpt_T_min     0.510
_exptl_absorpt_coefficient_mu      6.879
_exptl_absorpt_correction_T_max    0.839
_exptl_absorpt_correction_T_min    0.588
_exptl_absorpt_correction_type     gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.763
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1148
loop_
  _exptl_crystal_face_index_h
  _exptl_crystal_face_index_k
  _exptl_crystal_face_index_l
  _exptl_crystal_face_perp_dist
 12 -1 8 0.0405
 -2 -10 -25 0.0493
 0 14 -4 0.0269
 0 -1 36 0.0256
 0 1 -36 0.0256
 -2 -14 5 0.0538
 -11 6 5 0.0390
 -9 -4 -18 0.0510

_exptl_crystal_size_max            0.113
_exptl_crystal_size_mid            0.094
_exptl_crystal_size_min            0.051
loop_
  _exptl_oxdiff_crystal_face_indexfrac_h
  _exptl_oxdiff_crystal_face_indexfrac_k
  _exptl_oxdiff_crystal_face_indexfrac_l
  _exptl_oxdiff_crystal_face_x
  _exptl_oxdiff_crystal_face_y
  _exptl_oxdiff_crystal_face_z
 11.9798 -1.0035 8.0007 -0.9943 0.1142 0.2624
 -1.9974 -9.9883 -24.9741 0.0846 0.0147 -1.0190
 0.0027 13.9847 -3.9860 0.1850 -0.7643 0.6203
 -0.0018 -0.9989 35.9503 -0.0848 0.7553 0.6611
 0.0018 0.9989 -35.9503 0.0848 -0.7553 -0.6611
 -1.9995 -13.9839 4.9826 -0.0261 0.7992 -0.6262
 -10.9812 5.9977 4.9857 0.9510 -0.1117 0.2569
 -8.9852 -3.9921 -17.9871 0.7097 -0.0884 -0.6711

_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0357
_diffrn_reflns_av_unetI/netI       0.0192
_diffrn_reflns_Laue_measured_fraction_full  0.998
_diffrn_reflns_Laue_measured_fraction_max  0.940
_diffrn_reflns_limit_h_max         10
_diffrn_reflns_limit_h_min         -11
_diffrn_reflns_limit_k_max         13
_diffrn_reflns_limit_k_min         -13
_diffrn_reflns_limit_l_max         33
_diffrn_reflns_limit_l_min         -33
_diffrn_reflns_number              55140
_diffrn_reflns_point_group_measured_fraction_full  0.998
_diffrn_reflns_point_group_measured_fraction_max  0.940
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           28.708
_diffrn_reflns_theta_min           3.118
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        120(2)
_diffrn_crystal_treatment          'flash frozen in gaseous N2'
_diffrn_detector                   'CCD area detector'
_diffrn_detector_area_resol_mean   10.3613
_diffrn_detector_type              'Agilent Diffraction Atlas detector'
_diffrn_measured_fraction_theta_full  0.998
_diffrn_measured_fraction_theta_max  0.940
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -34.00  64.00   1.00   60.00    --   -6.29  61.00 173.00   98
  2  ω    -77.00  21.00   1.00   60.00    --   -6.29 -61.00  35.00   98
  3  ω    -20.00  34.00   1.00   60.00    --   -6.29 -99.00-180.00   54
  4  ω    -20.00  34.00   1.00   60.00    --   -6.29 -99.00 -90.00   54
  5  ω    -65.00  30.00   1.00   60.00    --    7.15 -38.00 -60.00   95
  6  ω    -63.00  34.00   1.00   60.00    --    7.15 -57.00-150.00   97
  7  ω     -8.00  55.00   1.00   60.00    --    7.15-113.00  57.00   63
  8  ω    -20.00  47.00   1.00   60.00    --    7.15 -99.00 -60.00   67
  9  ω    -79.00  16.00   1.00   60.00    --   -6.29 -38.00 150.00   95
 10  ω    -33.00  16.00   1.00   60.00    --   -6.29  57.00 120.00   49
 11  ω    -67.00  39.00   1.00   60.00    --    7.15 -77.00  90.00  106
;
_diffrn_measurement_device         'κ-geometry diffractometer'
_diffrn_measurement_device_type    'SuperNova-Duo, Atlas'
_diffrn_measurement_method         'ω scans'
_diffrn_measurement_specimen_support  'MiTeGen micromount'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0805911000
_diffrn_orient_matrix_UB_12        0.0126742000
_diffrn_orient_matrix_UB_13        -0.0020097000
_diffrn_orient_matrix_UB_21        -0.0077000000
_diffrn_orient_matrix_UB_22        -0.0490526000
_diffrn_orient_matrix_UB_23        0.0196469000
_diffrn_orient_matrix_UB_31        0.0128843000
_diffrn_orient_matrix_UB_32        0.0499879000
_diffrn_orient_matrix_UB_33        0.0197802000
_diffrn_radiation_collimation      'focusing mirrors'
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_radiation_wavelength_determination  fundamental
_diffrn_source                     'micro-focus sealed X-ray tube'
_diffrn_source_current             0.8
_diffrn_source_power               0.04
_diffrn_source_target              Cu
_diffrn_source_type                'SuperNova (Mo) X-ray Source'
_diffrn_source_voltage             50
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  4868
_reflns_number_total               5357
_reflns_odcompleteness_completeness  99.76
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       25.10
_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 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection         'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction          'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_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      'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max           0.791
_refine_diff_density_min           -0.732
_refine_diff_density_rms           0.089
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.033
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       275
_refine_ls_number_reflns           5357
_refine_ls_number_restraints       105
_refine_ls_R_factor_all            0.0208
_refine_ls_R_factor_gt             0.0168
_refine_ls_restrained_S_all        1.032
_refine_ls_shift/su_max            0.005
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0126P)²+1.6923P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0322
_refine_ls_wR_factor_ref           0.0336
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C18A-C17 \\sim C18-C17 \\sim C20-C19A \\sim C20-C19 \\sim C24-C23 \\sim C26-C25
 with sigma of 0.02
 C19A-C18A \\sim C19-C18 \\sim C25-C24
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C18 \\sim C19 \\sim C18A \\sim C19A: within 2A with sigma of 0.005 and sigma
for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
 C16, C17, C18, C19, C20, C18A, C19A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(H17C)=Sof(H17D)=Sof(H20C)=Sof(H20D)=Sof(C18A)=Sof(H18C)=Sof(H18D)=
 Sof(C19A)=Sof(H19C)=Sof(H19D)=1-FVAR(1)
 Sof(H17A)=Sof(H17B)=Sof(C18)=Sof(H18A)=Sof(H18B)=Sof(C19)=Sof(H19A)=Sof(H19B)=
 Sof(H20A)=Sof(H20B)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B), C17(H17C,H17D), C18(H18A,H18B), C19(H19A,H19B), C20(H20A,
 H20B), C20(H20C,H20D), C23(H23A,H23B), C24(H24A,H24B), C25(H25A,H25B),
 C26(H26A,H26B), C18A(H18C,H18D), C19A(H19C,H19D)
6.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C11(H11), C12(H12), C13(H13), C14(H14),
 C15(H15)
6.c Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     difmap
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
 Au1 Au 0.51313(2) 0.72249(2) 0.34106(2) 0.01518(3) Uani 1 1 d . . . . .
 Cl2 Cl 0.49782(7) 0.95170(5) 0.34376(2) 0.02687(12) Uani 1 1 d . . . . .
 P3 P 0.51151(5) 0.49853(5) 0.33470(2) 0.01229(10) Uani 1 1 d . . . . .
 C4 C 0.6323(2) 0.41057(19) 0.38700(7) 0.0135(4) Uani 1 1 d . . . . .
 C5 C 0.6551(2) 0.27326(19) 0.38001(8) 0.0160(4) Uani 1 1 d . . . . .
 H5 H 0.608427 0.231485 0.348721 0.019 Uiso 1 1 calc R . . . .
 C6 C 0.7435(2) 0.1961(2) 0.41719(8) 0.0175(4) Uani 1 1 d . . . . .
 H6 H 0.756330 0.102693 0.411597 0.021 Uiso 1 1 calc R . . . .
 C7 C 0.8127(2) 0.2566(2) 0.46250(8) 0.0199(4) Uani 1 1 d . . . . .
 H7 H 0.873710 0.205074 0.488395 0.024 Uiso 1 1 calc R . . . .
 C8 C 0.7930(2) 0.3922(2) 0.47004(8) 0.0187(4) Uani 1 1 d . . . . .
 H8 H 0.841315 0.432683 0.501377 0.022 Uiso 1 1 calc R . . . .
 C9 C 0.7040(2) 0.47239(19) 0.43303(7) 0.0135(4) Uani 1 1 d . . . . .
 C10 C 0.6985(2) 0.6183(2) 0.44669(7) 0.0149(4) Uani 1 1 d . . . . .
 C11 C 0.8176(2) 0.7030(2) 0.43578(8) 0.0185(4) Uani 1 1 d . . . . .
 H11 H 0.894929 0.670586 0.415644 0.022 Uiso 1 1 calc R . . . .
 C12 C 0.8249(2) 0.8341(2) 0.45394(9) 0.0224(5) Uani 1 1 d . . . . .
 H12 H 0.905964 0.891352 0.445720 0.027 Uiso 1 1 calc R . . . .
 C13 C 0.7145(3) 0.8818(2) 0.48399(8) 0.0240(5) Uani 1 1 d . . . . .
 H13 H 0.720847 0.971118 0.497085 0.029 Uiso 1 1 calc R . . . .
 C14 C 0.5953(3) 0.7992(2) 0.49485(9) 0.0243(5) Uani 1 1 d . . . . .
 H14 H 0.518818 0.831997 0.515257 0.029 Uiso 1 1 calc R . . . .
 C15 C 0.5864(2) 0.6686(2) 0.47614(8) 0.0195(4) Uani 1 1 d . . . . .
 H15 H 0.503130 0.612763 0.483462 0.023 Uiso 1 1 calc R . . . .
 C16 C 0.5855(2) 0.44665(19) 0.27193(7) 0.0150(4) Uani 1 1 d . U . . .
 C17 C 0.5261(3) 0.5448(2) 0.22693(8) 0.0203(4) Uani 1 1 d D U . . .
 H17A H 0.434780 0.594183 0.236485 0.024 Uiso 0.291(14) 1 calc R . P A 1
 H17B H 0.607662 0.610850 0.221527 0.024 Uiso 0.291(14) 1 calc R . P A 1
 H17C H 0.416608 0.568832 0.228776 0.024 Uiso 0.709(14) 1 calc R . P A 2
 H17D H 0.588868 0.627816 0.228709 0.024 Uiso 0.709(14) 1 calc R . P A 2
 C18 C 0.4826(17) 0.4651(11) 0.1763(4) 0.0228(15) Uani 0.291(14) 1 d D U P A 1
 H18A H 0.373815 0.482774 0.162172 0.027 Uiso 0.291(14) 1 calc R . P A 1
 H18B H 0.550048 0.490255 0.149282 0.027 Uiso 0.291(14) 1 calc R . P A 1
 C19 C 0.5033(19) 0.3263(13) 0.1903(4) 0.0265(16) Uani 0.291(14) 1 d D U P A 1
 H19A H 0.591079 0.289425 0.173501 0.032 Uiso 0.291(14) 1 calc R . P A 1
 H19B H 0.409310 0.275512 0.176856 0.032 Uiso 0.291(14) 1 calc R . P A 1
 C20 C 0.5341(3) 0.3084(2) 0.24871(8) 0.0210(4) Uani 1 1 d D U . . .
 H20A H 0.616410 0.240885 0.257492 0.025 Uiso 0.291(14) 1 calc R . P A 1
 H20B H 0.439397 0.277796 0.263165 0.025 Uiso 0.291(14) 1 calc R . P A 1
 H20C H 0.597513 0.235440 0.266387 0.025 Uiso 0.709(14) 1 calc R . P A 2
 H20D H 0.423934 0.291258 0.252466 0.025 Uiso 0.709(14) 1 calc R . P A 2
 C21 C 0.7632(2) 0.4558(2) 0.28092(8) 0.0216(4) Uani 1 1 d . . . . .
 H21A H 0.793603 0.542570 0.296976 0.032 Uiso 1 1 calc GR . . . .
 H21B H 0.804995 0.447553 0.247078 0.032 Uiso 1 1 calc GR . . . .
 H21C H 0.803869 0.383264 0.304432 0.032 Uiso 1 1 calc GR . . . .
 C22 C 0.3111(2) 0.4383(2) 0.33953(8) 0.0156(4) Uani 1 1 d . . . . .
 C23 C 0.2613(2) 0.4949(2) 0.39132(8) 0.0204(4) Uani 1 1 d D . . . .
 H23A H 0.345384 0.484906 0.420638 0.025 Uiso 1 1 calc R . . . .
 H23B H 0.233759 0.590992 0.387386 0.025 Uiso 1 1 calc R . . . .
 C24 C 0.1196(3) 0.4107(2) 0.40154(9) 0.0281(5) Uani 1 1 d D . . . .
 H24A H 0.119524 0.394032 0.439737 0.034 Uiso 1 1 calc R . . . .
 H24B H 0.022825 0.457877 0.388235 0.034 Uiso 1 1 calc R . . . .
 C25 C 0.1332(3) 0.2783(2) 0.37192(9) 0.0233(5) Uani 1 1 d D . . . .
 H25A H 0.044912 0.267283 0.344169 0.028 Uiso 1 1 calc R . . . .
 H25B H 0.134874 0.201323 0.396468 0.028 Uiso 1 1 calc R . . . .
 C26 C 0.2855(2) 0.2867(2) 0.34743(9) 0.0211(4) Uani 1 1 d D . . . .
 H26A H 0.277312 0.238532 0.313325 0.025 Uiso 1 1 calc R . . . .
 H26B H 0.371493 0.247507 0.371324 0.025 Uiso 1 1 calc R . . . .
 C27 C 0.2034(2) 0.4913(2) 0.29247(9) 0.0255(5) Uani 1 1 d . . . . .
 H27A H 0.219774 0.587921 0.288698 0.038 Uiso 1 1 calc GR . . . .
 H27B H 0.095778 0.474675 0.298248 0.038 Uiso 1 1 calc GR . . . .
 H27C H 0.225744 0.445161 0.260328 0.038 Uiso 1 1 calc GR . . . .
 O1 O 0.2429(19) 0.8673(18) 0.4218(6) 0.041(6) Uani 0.110(7) 1 d . . . . .
 C18A C 0.5443(9) 0.4656(5) 0.17645(17) 0.0272(11) Uani 0.709(14) 1 d D U P A 2
 H18C H 0.452895 0.479816 0.150180 0.033 Uiso 0.709(14) 1 calc R . P A 2
 H18D H 0.637201 0.496562 0.161017 0.033 Uiso 0.709(14) 1 calc R . P A 2
 C19A C 0.5597(7) 0.3192(5) 0.19049(16) 0.0202(9) Uani 0.709(14) 1 d D U P A 2
 H19C H 0.663748 0.285840 0.185106 0.024 Uiso 0.709(14) 1 calc R . P A 2
 H19D H 0.481484 0.265615 0.168309 0.024 Uiso 0.709(14) 1 calc R . P A 2


_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
 Au1 Cl2 2.2898(5) . ?
 Au1 P3 2.2379(5) . ?
 P3 C4 1.8262(19) . ?
 P3 C16 1.8695(19) . ?
 P3 C22 1.863(2) . ?
 C4 C5 1.397(3) . ?
 C4 C9 1.408(3) . ?
 C5 H5 0.9500 . ?
 C5 C6 1.385(3) . ?
 C6 H6 0.9500 . ?
 C6 C7 1.381(3) . ?
 C7 H7 0.9500 . ?
 C7 C8 1.379(3) . ?
 C8 H8 0.9500 . ?
 C8 C9 1.401(3) . ?
 C9 C10 1.497(3) . ?
 C10 C11 1.391(3) . ?
 C10 C15 1.393(3) . ?
 C11 H11 0.9500 . ?
 C11 C12 1.386(3) . ?
 C12 H12 0.9500 . ?
 C12 C13 1.382(3) . ?
 C13 H13 0.9500 . ?
 C13 C14 1.379(3) . ?
 C14 H14 0.9500 . ?
 C14 C15 1.386(3) . ?
 C15 H15 0.9500 . ?
 C16 C17 1.552(3) . ?
 C16 C20 1.546(3) . ?
 C16 C21 1.540(3) . ?
 C17 H17A 0.9900 . ?
 C17 H17B 0.9900 . ?
 C17 H17C 0.9900 . ?
 C17 H17D 0.9900 . ?
 C17 C18 1.527(10) . ?
 C17 C18A 1.536(5) . ?
 C18 H18A 0.9900 . ?
 C18 H18B 0.9900 . ?
 C18 C19 1.435(11) . ?
 C19 H19A 0.9900 . ?
 C19 H19B 0.9900 . ?
 C19 C20 1.495(10) . ?
 C20 H20A 0.9900 . ?
 C20 H20B 0.9900 . ?
 C20 H20C 0.9900 . ?
 C20 H20D 0.9900 . ?
 C20 C19A 1.533(4) . ?
 C21 H21A 0.9800 . ?
 C21 H21B 0.9800 . ?
 C21 H21C 0.9800 . ?
 C22 C23 1.546(3) . ?
 C22 C26 1.544(3) . ?
 C22 C27 1.531(3) . ?
 C23 H23A 0.9900 . ?
 C23 H23B 0.9900 . ?
 C23 C24 1.539(3) . ?
 C24 H24A 0.9900 . ?
 C24 H24B 0.9900 . ?
 C24 C25 1.533(3) . ?
 C25 H25A 0.9900 . ?
 C25 H25B 0.9900 . ?
 C25 C26 1.533(3) . ?
 C26 H26A 0.9900 . ?
 C26 H26B 0.9900 . ?
 C27 H27A 0.9800 . ?
 C27 H27B 0.9800 . ?
 C27 H27C 0.9800 . ?
 C18A H18C 0.9900 . ?
 C18A H18D 0.9900 . ?
 C18A C19A 1.505(5) . ?
 C19A H19C 0.9900 . ?
 C19A H19D 0.9900 . ?

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
 P3 Au1 Cl2 175.811(18) . . ?
 C4 P3 Au1 115.30(6) . . ?
 C4 P3 C16 105.55(9) . . ?
 C4 P3 C22 105.17(9) . . ?
 C16 P3 Au1 109.77(6) . . ?
 C22 P3 Au1 108.33(6) . . ?
 C22 P3 C16 112.75(9) . . ?
 C5 C4 P3 117.06(14) . . ?
 C5 C4 C9 118.65(17) . . ?
 C9 C4 P3 124.29(15) . . ?
 C4 C5 H5 118.9 . . ?
 C6 C5 C4 122.18(18) . . ?
 C6 C5 H5 118.9 . . ?
 C5 C6 H6 120.5 . . ?
 C7 C6 C5 119.09(19) . . ?
 C7 C6 H6 120.5 . . ?
 C6 C7 H7 120.1 . . ?
 C8 C7 C6 119.76(19) . . ?
 C8 C7 H7 120.1 . . ?
 C7 C8 H8 118.9 . . ?
 C7 C8 C9 122.20(19) . . ?
 C9 C8 H8 118.9 . . ?
 C4 C9 C10 126.61(17) . . ?
 C8 C9 C4 118.12(18) . . ?
 C8 C9 C10 115.25(17) . . ?
 C11 C10 C9 119.87(17) . . ?
 C11 C10 C15 118.40(19) . . ?
 C15 C10 C9 121.24(18) . . ?
 C10 C11 H11 119.6 . . ?
 C12 C11 C10 120.8(2) . . ?
 C12 C11 H11 119.6 . . ?
 C11 C12 H12 119.9 . . ?
 C13 C12 C11 120.2(2) . . ?
 C13 C12 H12 119.9 . . ?
 C12 C13 H13 120.2 . . ?
 C14 C13 C12 119.7(2) . . ?
 C14 C13 H13 120.2 . . ?
 C13 C14 H14 119.9 . . ?
 C13 C14 C15 120.3(2) . . ?
 C15 C14 H14 119.9 . . ?
 C10 C15 H15 119.7 . . ?
 C14 C15 C10 120.66(19) . . ?
 C14 C15 H15 119.7 . . ?
 C17 C16 P3 110.04(13) . . ?
 C20 C16 P3 117.53(14) . . ?
 C20 C16 C17 102.73(16) . . ?
 C21 C16 P3 107.22(13) . . ?
 C21 C16 C17 108.42(16) . . ?
 C21 C16 C20 110.60(17) . . ?
 C16 C17 H17A 109.8 . . ?
 C16 C17 H17B 109.8 . . ?
 C16 C17 H17C 111.0 . . ?
 C16 C17 H17D 111.0 . . ?
 H17A C17 H17B 108.3 . . ?
 H17C C17 H17D 109.0 . . ?
 C18 C17 C16 109.2(5) . . ?
 C18 C17 H17A 109.8 . . ?
 C18 C17 H17B 109.8 . . ?
 C18A C17 C16 103.9(2) . . ?
 C18A C17 H17C 111.0 . . ?
 C18A C17 H17D 111.0 . . ?
 C17 C18 H18A 110.5 . . ?
 C17 C18 H18B 110.5 . . ?
 H18A C18 H18B 108.7 . . ?
 C19 C18 C17 106.2(8) . . ?
 C19 C18 H18A 110.5 . . ?
 C19 C18 H18B 110.5 . . ?
 C18 C19 H19A 109.3 . . ?
 C18 C19 H19B 109.3 . . ?
 C18 C19 C20 111.5(8) . . ?
 H19A C19 H19B 108.0 . . ?
 C20 C19 H19A 109.3 . . ?
 C20 C19 H19B 109.3 . . ?
 C16 C20 H20A 110.4 . . ?
 C16 C20 H20B 110.4 . . ?
 C16 C20 H20C 111.0 . . ?
 C16 C20 H20D 111.0 . . ?
 C19 C20 C16 106.7(5) . . ?
 C19 C20 H20A 110.4 . . ?
 C19 C20 H20B 110.4 . . ?
 H20A C20 H20B 108.6 . . ?
 H20C C20 H20D 109.0 . . ?
 C19A C20 C16 104.0(2) . . ?
 C19A C20 H20C 111.0 . . ?
 C19A C20 H20D 111.0 . . ?
 C16 C21 H21A 109.5 . . ?
 C16 C21 H21B 109.5 . . ?
 C16 C21 H21C 109.5 . . ?
 H21A C21 H21B 109.5 . . ?
 H21A C21 H21C 109.5 . . ?
 H21B C21 H21C 109.5 . . ?
 C23 C22 P3 107.29(13) . . ?
 C26 C22 P3 118.33(14) . . ?
 C26 C22 C23 100.70(16) . . ?
 C27 C22 P3 109.30(14) . . ?
 C27 C22 C23 109.84(17) . . ?
 C27 C22 C26 110.82(17) . . ?
 C22 C23 H23A 110.8 . . ?
 C22 C23 H23B 110.8 . . ?
 H23A C23 H23B 108.8 . . ?
 C24 C23 C22 104.88(16) . . ?
 C24 C23 H23A 110.8 . . ?
 C24 C23 H23B 110.8 . . ?
 C23 C24 H24A 110.5 . . ?
 C23 C24 H24B 110.5 . . ?
 H24A C24 H24B 108.7 . . ?
 C25 C24 C23 105.99(17) . . ?
 C25 C24 H24A 110.5 . . ?
 C25 C24 H24B 110.5 . . ?
 C24 C25 H25A 110.5 . . ?
 C24 C25 H25B 110.5 . . ?
 C24 C25 C26 105.97(17) . . ?
 H25A C25 H25B 108.7 . . ?
 C26 C25 H25A 110.5 . . ?
 C26 C25 H25B 110.5 . . ?
 C22 C26 H26A 110.8 . . ?
 C22 C26 H26B 110.8 . . ?
 C25 C26 C22 104.56(16) . . ?
 C25 C26 H26A 110.8 . . ?
 C25 C26 H26B 110.8 . . ?
 H26A C26 H26B 108.9 . . ?
 C22 C27 H27A 109.5 . . ?
 C22 C27 H27B 109.5 . . ?
 C22 C27 H27C 109.5 . . ?
 H27A C27 H27B 109.5 . . ?
 H27A C27 H27C 109.5 . . ?
 H27B C27 H27C 109.5 . . ?
 C17 C18A H18C 110.0 . . ?
 C17 C18A H18D 110.0 . . ?
 H18C C18A H18D 108.4 . . ?
 C19A C18A C17 108.2(3) . . ?
 C19A C18A H18C 110.0 . . ?
 C19A C18A H18D 110.0 . . ?
 C20 C19A H19C 110.5 . . ?
 C20 C19A H19D 110.5 . . ?
 C18A C19A C20 106.3(3) . . ?
 C18A C19A H19C 110.5 . . ?
 C18A C19A H19D 110.5 . . ?
 H19C C19A H19D 108.7 . . ?

_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_olex2_exptl_crystal_mounting_method  'in fomblin film on a micromount'
_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max  1.392
_oxdiff_exptl_absorpt_empirical_full_min  0.741
