# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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#######################################################################

data_mo_20170612hl2_0m
_database_code_depnum_ccdc_archive 'CCDC 1819026'
_audit_update_record             
;
2018-03-26 deposited with the CCDC.
2018-04-19 downloaded from the CCDC.
;
_audit_creation_date             2018-03-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H34 Au B Cl O2 P'
_chemical_formula_sum            'C26 H34 Au B Cl O2 P'
_chemical_formula_weight         652.73
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 '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'
Au Au -2.0133 8.8022 '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'
B B 0.0013 0.0007 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9069(9)
_cell_length_b                   15.0564(10)
_cell_length_c                   22.5926(15)
_cell_angle_alpha                88.786(3)
_cell_angle_beta                 79.733(3)
_cell_angle_gamma                82.636(3)
_cell_volume                     3952.6(5)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    7357
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      2.39
_shelx_estimated_absorpt_T_max   0.392
_shelx_estimated_absorpt_T_min   0.161
_exptl_absorpt_coefficient_mu    5.765
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.2991
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1932
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0566
_diffrn_reflns_av_unetI/netI     0.0516
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            62240
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         1.642
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'BRUKER D8 VENTURE PHOTON II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13903
_reflns_number_total             16112
_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       SAINT
_computing_data_collection       'APEX3 BRUKER'
_computing_data_reduction        SADABS
_computing_molecular_graphics    SHELXLE
_computing_publication_material  SHELXTL,BRUKER,2017
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.152
_refine_diff_density_min         -2.567
_refine_diff_density_rms         0.170
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.959
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     919
_refine_ls_number_reflns         16112
_refine_ls_number_restraints     102
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0339
_refine_ls_restrained_S_all      0.964
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0200P)²+15.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0778
_refine_ls_wR_factor_ref         0.0826
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H2(0.033) H3(0.046) H4(0.048) H5(0.044) H6(0.034) H8(0.028)
 H9(0.035) H10(0.037) H11(0.038) H12(0.03) H13(0.022) H15(0.021) H16A(0.028)
 H16B(0.028) H17A(0.03) H17B(0.03) H18A(0.034) H18B(0.034) H19A(0.04)
 H19B(0.04) H20A(0.033) H20B(0.033) H22A(0.085) H22B(0.085) H22C(0.085)
 H23A(0.083) H23B(0.083) H23C(0.083) H25A(0.077) H25B(0.077) H25C(0.077)
 H26A(0.1) H26B(0.1) H26C(0.1) H2(0.036) H3(0.043) H4(0.04) H5(0.04) H6(0.031)
 H8(0.025) H9(0.032) H10(0.037) H11(0.038) H12(0.033) H13(0.022) H15(0.02)
 H16A(0.029) H16B(0.029) H17A(0.038) H17B(0.038) H18A(0.04) H18B(0.04)
 H19A(0.032) H19B(0.032) H20A(0.026) H20B(0.026) H22A(0.086) H22B(0.086)
 H22C(0.086) H23A(0.09) H23B(0.09) H23C(0.09) H25A(0.071) H25B(0.071)
 H25C(0.071) H26A(0.085) H26B(0.085) H26C(0.085) H2(0.038) H3(0.046) H4(0.042)
 H5(0.062) H6(0.054) H8(0.031) H9(0.038) H10(0.041) H11(0.04) H12(0.031)
 H13(0.021) H15(0.021) H16A(0.025) H16B(0.025) H17A(0.035) H17B(0.035)
 H18A(0.041) H18B(0.041) H19A(0.035) H19B(0.035) H20A(0.029) H20B(0.029)
 H25A(0.1) H25B(0.1) H25C(0.1) H26A(0.101) H26B(0.101) H26C(0.101) H25D(0.12)
 H25E(0.12) H25F(0.12) H26D(0.108) H26E(0.108) H26F(0.108) H23A(0.107)
 H23B(0.107) H23C(0.107) H24A(0.077) H24B(0.077) H24C(0.077) H23D(0.101)
 H23E(0.101) H23F(0.101) H24D(0.103) H24E(0.103) H24F(0.103)
 Fixed X: H2(0.766745) H3(0.839435) H4(0.925197) H5(0.945364) H6(0.868655)
 H8(0.685306) H9(0.733591) H10(0.849548) H11(0.91917) H12(0.875027)
 H13(0.568017) H15(0.591192) H16A(0.40313) H16B(0.532165) H17A(0.462517)
 H17B(0.358358) H18A(0.532832) H18B(0.404076) H19A(0.438686) H19B(0.34382)
 H20A(0.473481) H20B(0.577025) H22A(0.014797) H22B(0.097525) H22C(0.05832)
 H23A(0.21984) H23B(0.091561) H23C(0.130155) H25A(0.255393) H25B(0.251472)
 H25C(0.137472) H26A(0.245297) H26B(0.209918) H26C(0.119232) H2(0.650452)
 H3(0.586637) H4(0.480047) H5(0.434928) H6(0.495774) H8(0.474481) H9(0.417371)
 H10(0.493529) H11(0.627175) H12(0.682334) H13(0.813008) H15(0.754121)
 H16A(0.986872) H16B(0.888487) H17A(0.925676) H17B(0.797988) H18A(0.876605)
 H18B(0.979212) H19A(0.845272) H19B(0.746334) H20A(0.804448) H20B(0.933076)
 H22A(1.119229) H22B(1.097491) H22C(1.223613) H23A(1.205535) H23B(1.193588)
 H23C(1.298884) H25A(1.314289) H25B(1.196176) H25C(1.269423) H26A(1.216799)
 H26B(1.330288) H26C(1.258223) H2(-0.216054) H3(-0.292124) H4(-0.242575) H5(-
 0.12601) H6(-0.050523) H8(-0.024836) H9(-0.084062) H10(-0.191819) H11(-
 0.245921) H12(-0.190621) H13(0.115522) H15(0.080749) H16A(0.129671)
 H16B(0.259862) H17A(0.181226) H17B(0.082036) H18A(0.220813) H18B(0.317437)
 H19A(0.264093) H19B(0.134898) H20A(0.214587) H20B(0.314955) H25A(0.594618)
 H25B(0.667236) H25C(0.620909) H26A(0.501679) H26B(0.57457) H26C(0.439967)
 H25D(0.503816) H25E(0.627685) H25F(0.557399) H26D(0.659153) H26E(0.561728)
 H26F(0.601315) H23A(0.469726) H23B(0.464616) H23C(0.580253) H24A(0.46884)
 H24B(0.48445) H24C(0.586056) H23D(0.524803) H23E(0.484659) H23F(0.60163)
 H24D(0.541824) H24E(0.418117) H24F(0.433419)
 Fixed Y: H2(0.436322) H3(0.55567) H4(0.538818) H5(0.401678) H6(0.281662)
 H8(0.192578) H9(0.058729) H10(-0.057894) H11(-0.040088) H12(0.095026)
 H13(0.346602) H15(0.156611) H16A(0.099584) H16B(0.080569) H17A(0.226957)
 H17B(0.193793) H18A(0.080501) H18B(0.099619) H19A(-0.04109) H19B(0.022524)
 H20A(-0.046448) H20B(-0.012706) H22A(0.3585) H22B(0.366062) H22C(0.273314)
 H23A(0.233515) H23B(0.278293) H23C(0.194549) H25A(0.368472) H25B(0.470511)
 H25C(0.426085) H26A(0.523134) H26B(0.46471) H26C(0.499054) H2(0.778807)
 H3(0.910078) H4(1.027594) H5(1.014449) H6(0.882851) H8(0.594776) H9(0.467097)
 H10(0.415409) H11(0.490954) H12(0.618883) H13(0.645921) H15(0.837263)
 H16A(0.820585) H16B(0.77851) H17A(0.91111) H17B(0.920268) H18A(1.049686)
 H18B(0.992833) H19A(1.051952) H19B(1.010566) H20A(0.919492) H20B(0.910511)
 H22A(0.543878) H22B(0.646416) H22C(0.597525) H23A(0.553758) H23B(0.489701)
 H23C(0.544196) H25A(0.718851) H25B(0.768642) H25C(0.814274) H26A(0.692677)
 H26B(0.690234) H26C(0.782255) H2(0.723488) H3(0.609858) H4(0.462036)
 H5(0.429189) H6(0.542041) H8(0.803809) H9(0.938715) H10(1.053765)
 H11(1.029286) H12(0.89333) H13(0.649538) H15(0.834537) H16A(0.917784)
 H16B(0.903826) H17A(1.045984) H17B(1.006305) H18A(1.037383) H18B(0.978239)
 H19A(0.896189) H19B(0.910827) H20A(0.767221) H20B(0.806145) H25A(0.716015)
 H25B(0.677511) H25C(0.779784) H26A(0.803569) H26B(0.713547) H26C(0.723725)
 H25D(0.645758) H25E(0.648357) H25F(0.736048) H26D(0.716994) H26E(0.78014)
 H26F(0.803913) H23A(0.602464) H23B(0.508593) H23C(0.550828) H24A(0.493553)
 H24B(0.570818) H24C(0.533372) H23D(0.496564) H23E(0.48089) H23F(0.518355)
 H24D(0.616175) H24E(0.587372) H24F(0.688302)
 Fixed Z: H2(0.815844) H3(0.762936) H4(0.663517) H5(0.617087) H6(0.668391)
 H8(0.680568) H9(0.627806) H10(0.664338) H11(0.751301) H12(0.803265)
 H13(0.763143) H15(0.851028) H16A(0.807434) H16B(0.775513) H17A(0.931098)
 H17B(0.907958) H18A(0.953363) H18B(0.985794) H19A(0.936631) H19B(0.910945)
 H20A(0.830589) H20B(0.854035) H22A(0.829425) H22B(0.875345) H22C(0.864061)
 H23A(0.719437) H23B(0.731957) H23C(0.769305) H25A(0.679306) H25B(0.69318)
 H25C(0.703544) H26A(0.79023) H26B(0.847126) H26C(0.806666) H2(0.660875)
 H3(0.716049) H4(0.675556) H5(0.581663) H6(0.526764) H8(0.531035) H9(0.580418)
 H10(0.663678) H11(0.697263) H12(0.649747) H13(0.562691) H15(0.480538)
 H16A(0.421051) H16B(0.39814) H17A(0.345172) H17B(0.379587) H18A(0.395807)
 H18B(0.419712) H19A(0.50252) H19B(0.479595) H20A(0.555789) H20B(0.522887)
 H22A(0.614727) H22B(0.629985) H22C(0.615004) H23A(0.460931) H23B(0.516697)
 H23C(0.502384) H25A(0.570697) H25B(0.602913) H25C(0.548961) H26A(0.43133)
 H26B(0.457753) H26C(0.447781) H2(0.996702) H3(1.05504) H4(1.0249) H5(0.933181)
 H6(0.87413) H8(0.99257) H9(1.042493) H10(0.998825) H11(0.908021) H12(0.858822)
 H13(0.909782) H15(0.81824) H16A(0.89319) H16B(0.862762) H17A(0.837203)
 H17B(0.813321) H18A(0.731018) H18B(0.758305) H19A(0.683677) H19B(0.715863)
 H20A(0.739408) H20B(0.762635) H25A(0.788083) H25B(0.83642) H25C(0.836455)
 H26A(0.932821) H26B(0.946264) H26C(0.962765) H25D(0.783374) H25E(0.797339)
 H25F(0.777982) H26D(0.886473) H26E(0.926821) H26F(0.859047) H23A(0.785388)
 H23B(0.816417) H23C(0.804796) H24A(0.920656) H24B(0.962749) H24C(0.91192)
 H23D(0.835435) H23E(0.904369) H23F(0.881487) H24D(0.96039) H24E(0.976835)
 H24F(0.964244)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
P1_1 P 0.73398(9) 0.26087(7) 0.78978(5) 0.0168(2) Uani 1 1 d . . . . .
Au1_1 Au 0.77062(2) 0.25218(2) 0.88309(2) 0.01961(5) Uani 1 1 d . . . . .
B1_1 B 0.3728(4) 0.2947(4) 0.7996(2) 0.0217(10) Uani 1 1 d . . . . .
O1_1 O 0.3561(3) 0.3705(2) 0.76781(17) 0.0323(8) Uani 1 1 d . . . . .
C2_1 C 0.8005(4) 0.4294(3) 0.7755(2) 0.0277(10) Uani 1 1 d . . . . .
H2_1 H 0.766745 0.436322 0.815844 0.033 Uiso 1 1 calc R U . . .
O2_1 O 0.2745(3) 0.2606(3) 0.82103(19) 0.0467(11) Uani 1 1 d . . . . .
C3_1 C 0.8449(4) 0.5007(3) 0.7440(3) 0.0387(13) Uani 1 1 d . . . . .
H3_1 H 0.839435 0.555670 0.762936 0.046 Uiso 1 1 calc R U . . .
C4_1 C 0.8970(4) 0.4904(3) 0.6847(3) 0.0397(14) Uani 1 1 d . . . . .
H4_1 H 0.925197 0.538818 0.663517 0.048 Uiso 1 1 calc R U . . .
C5_1 C 0.9076(4) 0.4088(4) 0.6567(3) 0.0367(13) Uani 1 1 d . . . . .
H5_1 H 0.945364 0.401678 0.617087 0.044 Uiso 1 1 calc R U . . .
C6_1 C 0.8619(4) 0.3366(3) 0.6876(2) 0.0286(10) Uani 1 1 d . . . . .
H6_1 H 0.868655 0.281662 0.668391 0.034 Uiso 1 1 calc R U . . .
C7_1 C 0.7753(3) 0.1580(3) 0.7472(2) 0.0191(9) Uani 1 1 d . . . . .
C8_1 C 0.7329(4) 0.1462(3) 0.6947(2) 0.0233(10) Uani 1 1 d . . . . .
H8_1 H 0.685306 0.192578 0.680568 0.028 Uiso 1 1 calc R U . . .
C9_1 C 0.7612(4) 0.0659(3) 0.6632(2) 0.0295(11) Uani 1 1 d . . . . .
H9_1 H 0.733591 0.058729 0.627806 0.035 Uiso 1 1 calc R U . . .
C10_1 C 0.8310(4) -0.0038(3) 0.6850(2) 0.0306(11) Uani 1 1 d . . . . .
H10_1 H 0.849548 -0.057894 0.664338 0.037 Uiso 1 1 calc R U . . .
C11_1 C 0.8727(4) 0.0069(3) 0.7370(2) 0.0319(11) Uani 1 1 d . . . . .
H11_1 H 0.919170 -0.040088 0.751301 0.038 Uiso 1 1 calc R U . . .
C12_1 C 0.8459(4) 0.0879(3) 0.7684(2) 0.0249(10) Uani 1 1 d . . . . .
H12_1 H 0.875027 0.095026 0.803265 0.030 Uiso 1 1 calc R U . . .
C13_1 C 0.5846(3) 0.2953(3) 0.78529(19) 0.0183(9) Uani 1 1 d . . . . .
H13_1 H 0.568017 0.346602 0.763143 0.022 Uiso 1 1 calc R U . . .
C14_1 C 0.4961(3) 0.2536(3) 0.81104(19) 0.0169(8) Uani 1 1 d . . . . .
C15_1 C 0.5101(3) 0.1686(3) 0.84698(19) 0.0174(9) Uani 1 1 d . . . . .
H15_1 H 0.591192 0.156611 0.851028 0.021 Uiso 1 1 calc R U . . .
C16_1 C 0.4818(4) 0.0882(3) 0.8143(2) 0.0230(10) Uani 1 1 d . . . . .
H16A_1 H 0.403130 0.099584 0.807434 0.028 Uiso 1 1 calc R U . . .
H16B_1 H 0.532165 0.080569 0.775513 0.028 Uiso 1 1 calc R U . . .
C17_1 C 0.4390(4) 0.1785(3) 0.9105(2) 0.0251(10) Uani 1 1 d . . . . .
H17A_1 H 0.462517 0.226957 0.931098 0.030 Uiso 1 1 calc R U . . .
H17B_1 H 0.358358 0.193793 0.907958 0.030 Uiso 1 1 calc R U . . .
C18_1 C 0.4540(4) 0.0923(3) 0.9468(2) 0.0286(11) Uani 1 1 d . . . . .
H18A_1 H 0.532832 0.080501 0.953363 0.034 Uiso 1 1 calc R U . . .
H18B_1 H 0.404076 0.099619 0.985794 0.034 Uiso 1 1 calc R U . . .
C19_1 C 0.4248(5) 0.0133(3) 0.9138(2) 0.0333(12) Uani 1 1 d . . . . .
H19A_1 H 0.438686 -0.041090 0.936631 0.040 Uiso 1 1 calc R U . . .
H19B_1 H 0.343820 0.022524 0.910945 0.040 Uiso 1 1 calc R U . . .
C20_1 C 0.4966(4) 0.0024(3) 0.8510(2) 0.0279(10) Uani 1 1 d . . . . .
H20A_1 H 0.473481 -0.046448 0.830589 0.033 Uiso 1 1 calc R U . . .
H20B_1 H 0.577025 -0.012706 0.854035 0.033 Uiso 1 1 calc R U . . .
C21_1 C 0.1814(4) 0.3089(4) 0.7957(2) 0.0298(11) Uani 1 1 d . . . . .
C22_1 C 0.0786(5) 0.3285(5) 0.8457(3) 0.0570(18) Uani 1 1 d . . . . .
H22A_1 H 0.014797 0.358500 0.829425 0.085 Uiso 1 1 calc R U . . .
H22B_1 H 0.097525 0.366062 0.875345 0.085 Uiso 1 1 calc R U . . .
H22C_1 H 0.058320 0.273314 0.864061 0.085 Uiso 1 1 calc R U . . .
C23_1 C 0.1532(6) 0.2484(4) 0.7500(3) 0.0552(17) Uani 1 1 d . . . . .
H23A_1 H 0.219840 0.233515 0.719437 0.083 Uiso 1 1 calc R U . . .
H23B_1 H 0.091561 0.278293 0.731957 0.083 Uiso 1 1 calc R U . . .
H23C_1 H 0.130155 0.194549 0.769305 0.083 Uiso 1 1 calc R U . . .
C24_1 C 0.2331(4) 0.3944(3) 0.7690(2) 0.0305(11) Uani 1 1 d . . . . .
C25_1 C 0.2180(5) 0.4169(5) 0.7055(3) 0.0511(17) Uani 1 1 d . . . . .
H25A_1 H 0.255393 0.368472 0.679306 0.077 Uiso 1 1 calc R U . . .
H25B_1 H 0.251472 0.470511 0.693180 0.077 Uiso 1 1 calc R U . . .
H25C_1 H 0.137472 0.426085 0.703544 0.077 Uiso 1 1 calc R U . . .
C26_1 C 0.1988(6) 0.4779(4) 0.8067(4) 0.067(2) Uani 1 1 d . . . . .
H26A_1 H 0.245297 0.523134 0.790230 0.100 Uiso 1 1 calc R U . . .
H26B_1 H 0.209918 0.464710 0.847126 0.100 Uiso 1 1 calc R U . . .
H26C_1 H 0.119232 0.499054 0.806666 0.100 Uiso 1 1 calc R U . . .
C1_1 C 0.8062(3) 0.3471(3) 0.7469(2) 0.0214(9) Uani 1 1 d . . . . .
Cl1_1 Cl 0.80827(12) 0.24701(9) 0.97843(6) 0.0357(3) Uani 1 1 d . . . . .
C1_2 C 0.5792(3) 0.8173(3) 0.5885(2) 0.0188(9) Uani 1 1 d . . . . .
P1_2 P 0.63376(9) 0.71702(7) 0.54314(5) 0.0169(2) Uani 1 1 d . . . . .
Au1_2 Au 0.58556(2) 0.73750(2) 0.45201(2) 0.01799(5) Uani 1 1 d . . . . .
O1_2 O 1.0315(3) 0.6296(2) 0.5313(2) 0.0453(11) Uani 1 1 d . . . . .
B1_2 B 0.9938(4) 0.7166(3) 0.5238(2) 0.0226(11) Uani 1 1 d . . . . .
Cl1_2 Cl 0.53740(11) 0.77326(8) 0.36039(5) 0.0316(3) Uani 1 1 d . . . . .
C2_2 C 0.6066(4) 0.8258(3) 0.6449(2) 0.0301(11) Uani 1 1 d . . . . .
H2_2 H 0.650452 0.778807 0.660875 0.036 Uiso 1 1 calc R U . . .
O2_2 O 1.0759(3) 0.7707(2) 0.52180(16) 0.0308(8) Uani 1 1 d . . . . .
C3_2 C 0.5688(5) 0.9047(3) 0.6779(2) 0.0362(12) Uani 1 1 d . . . . .
H3_2 H 0.586637 0.910078 0.716049 0.043 Uiso 1 1 calc R U . . .
C4_2 C 0.5049(4) 0.9749(3) 0.6537(2) 0.0336(12) Uani 1 1 d . . . . .
H4_2 H 0.480047 1.027594 0.675556 0.040 Uiso 1 1 calc R U . . .
C5_2 C 0.4779(4) 0.9670(3) 0.5977(2) 0.0336(12) Uani 1 1 d . . . . .
H5_2 H 0.434928 1.014449 0.581663 0.040 Uiso 1 1 calc R U . . .
C6_2 C 0.5145(4) 0.8881(3) 0.5647(2) 0.0257(10) Uani 1 1 d . . . . .
H6_2 H 0.495774 0.882851 0.526764 0.031 Uiso 1 1 calc R U . . .
C7_2 C 0.5837(4) 0.6211(3) 0.5848(2) 0.0193(9) Uani 1 1 d . . . . .
C8_2 C 0.5050(4) 0.5745(3) 0.5647(2) 0.0206(9) Uani 1 1 d . . . . .
H8_2 H 0.474481 0.594776 0.531035 0.025 Uiso 1 1 calc R U . . .
C9_2 C 0.4708(4) 0.4975(3) 0.5942(2) 0.0270(10) Uani 1 1 d . . . . .
H9_2 H 0.417371 0.467097 0.580418 0.032 Uiso 1 1 calc R U . . .
C10_2 C 0.5163(4) 0.4666(3) 0.6438(2) 0.0308(11) Uani 1 1 d . . . . .
H10_2 H 0.493529 0.415409 0.663678 0.037 Uiso 1 1 calc R U . . .
C11_2 C 0.5958(4) 0.5122(3) 0.6640(2) 0.0319(11) Uani 1 1 d . . . . .
H11_2 H 0.627175 0.490954 0.697263 0.038 Uiso 1 1 calc R U . . .
C12_2 C 0.6292(4) 0.5886(3) 0.6354(2) 0.0274(10) Uani 1 1 d . . . . .
H12_2 H 0.682334 0.618883 0.649747 0.033 Uiso 1 1 calc R U . . .
C13_2 C 0.7865(3) 0.6970(3) 0.5429(2) 0.0187(9) Uani 1 1 d . . . . .
H13_2 H 0.813008 0.645921 0.562691 0.022 Uiso 1 1 calc R U . . .
C14_2 C 0.8658(3) 0.7484(3) 0.51694(19) 0.0173(9) Uani 1 1 d . . . . .
C15_2 C 0.8358(3) 0.8328(3) 0.48339(19) 0.0168(8) Uani 1 1 d . . . . .
H15_2 H 0.754121 0.837263 0.480538 0.020 Uiso 1 1 calc R U . . .
C16_2 C 0.9054(4) 0.8292(3) 0.4193(2) 0.0241(10) Uani 1 1 d . . . . .
H16A_2 H 0.986872 0.820585 0.421051 0.029 Uiso 1 1 calc R U . . .
H16B_2 H 0.888487 0.778510 0.398140 0.029 Uiso 1 1 calc R U . . .
C17_2 C 0.8777(4) 0.9145(3) 0.3848(2) 0.0318(11) Uani 1 1 d . . . . .
H17A_2 H 0.925676 0.911110 0.345172 0.038 Uiso 1 1 calc R U . . .
H17B_2 H 0.797988 0.920268 0.379587 0.038 Uiso 1 1 calc R U . . .
C18_2 C 0.8981(5) 0.9960(3) 0.4178(2) 0.0335(12) Uani 1 1 d . . . . .
H18A_2 H 0.876605 1.049686 0.395807 0.040 Uiso 1 1 calc R U . . .
H18B_2 H 0.979212 0.992833 0.419712 0.040 Uiso 1 1 calc R U . . .
C19_2 C 0.8277(4) 1.0012(3) 0.4816(2) 0.0268(10) Uani 1 1 d . . . . .
H19A_2 H 0.845272 1.051952 0.502520 0.032 Uiso 1 1 calc R U . . .
H19B_2 H 0.746334 1.010566 0.479595 0.032 Uiso 1 1 calc R U . . .
C20_2 C 0.8540(4) 0.9159(3) 0.5166(2) 0.0219(9) Uani 1 1 d . . . . .
H20A_2 H 0.804448 0.919492 0.555789 0.026 Uiso 1 1 calc R U . . .
H20B_2 H 0.933076 0.910511 0.522887 0.026 Uiso 1 1 calc R U . . .
C21_2 C 1.1506(4) 0.6219(3) 0.5405(3) 0.0311(11) Uani 1 1 d . . . . .
C22_2 C 1.1474(5) 0.6005(5) 0.6060(3) 0.0573(19) Uani 1 1 d . . . . .
H22A_2 H 1.119229 0.543878 0.614727 0.086 Uiso 1 1 calc R U . . .
H22B_2 H 1.097491 0.646416 0.629985 0.086 Uiso 1 1 calc R U . . .
H22C_2 H 1.223613 0.597525 0.615004 0.086 Uiso 1 1 calc R U . . .
C23_2 C 1.2184(5) 0.5454(4) 0.5015(3) 0.0600(19) Uani 1 1 d . . . . .
H23A_2 H 1.205535 0.553758 0.460931 0.090 Uiso 1 1 calc R U . . .
H23B_2 H 1.193588 0.489701 0.516697 0.090 Uiso 1 1 calc R U . . .
H23C_2 H 1.298884 0.544196 0.502384 0.090 Uiso 1 1 calc R U . . .
C24_2 C 1.1862(4) 0.7161(3) 0.5215(2) 0.0271(10) Uani 1 1 d . . . . .
C25_2 C 1.2471(5) 0.7583(4) 0.5650(3) 0.0472(16) Uani 1 1 d . . . . .
H25A_2 H 1.314289 0.718851 0.570697 0.071 Uiso 1 1 calc R U . . .
H25B_2 H 1.196176 0.768642 0.602913 0.071 Uiso 1 1 calc R U . . .
H25C_2 H 1.269423 0.814274 0.548961 0.071 Uiso 1 1 calc R U . . .
C26_2 C 1.2540(5) 0.7207(5) 0.4589(3) 0.0568(18) Uani 1 1 d . . . . .
H26A_2 H 1.216799 0.692677 0.431330 0.085 Uiso 1 1 calc R U . . .
H26B_2 H 1.330288 0.690234 0.457753 0.085 Uiso 1 1 calc R U . . .
H26C_2 H 1.258223 0.782255 0.447781 0.085 Uiso 1 1 calc R U . . .
P1_3 P -0.05466(9) 0.72822(7) 0.88243(5) 0.0166(2) Uani 1 1 d . . . . .
O1_3 O 0.3388(2) 0.6243(2) 0.88787(15) 0.0243(7) Uani 1 1 d . . . . .
B1_3 B 0.3079(4) 0.7090(3) 0.8691(2) 0.0197(10) Uani 1 1 d . . . . .
Au1_3 Au -0.08918(2) 0.73194(2) 0.78821(2) 0.01898(5) Uani 1 1 d . . . . .
Cl1_3 Cl -0.12340(12) 0.73942(9) 0.69188(6) 0.0363(3) Uani 1 1 d . . . . .
C2_3 C -0.1968(4) 0.6643(3) 0.9838(2) 0.0319(11) Uani 1 1 d . . . . .
H2_3 H -0.216054 0.723488 0.996702 0.038 Uiso 1 1 calc R U . . .
O2_3 O 0.3966(3) 0.7583(2) 0.85681(17) 0.0337(8) Uani 1 1 d . . . . .
C3_3 C -0.2423(4) 0.5960(4) 1.0189(2) 0.0381(13) Uani 1 1 d . . . . .
H3_3 H -0.292124 0.609858 1.055040 0.046 Uiso 1 1 calc R U . . .
C4_3 C -0.2141(4) 0.5077(3) 1.0007(2) 0.0349(12) Uani 1 1 d . . . . .
H4_3 H -0.242575 0.462036 1.024900 0.042 Uiso 1 1 calc R U . . .
C5_3 C -0.1436(5) 0.4883(4) 0.9464(3) 0.0519(17) Uani 1 1 d . . . . .
H5_3 H -0.126010 0.429189 0.933181 0.062 Uiso 1 1 calc R U . . .
C6_3 C -0.0981(5) 0.5561(3) 0.9109(3) 0.0446(15) Uani 1 1 d . . . . .
H6_3 H -0.050523 0.542041 0.874130 0.054 Uiso 1 1 calc R U . . .
C7_3 C -0.1021(3) 0.8343(3) 0.9208(2) 0.0197(9) Uani 1 1 d . . . . .
C8_3 C -0.0700(4) 0.8489(3) 0.9757(2) 0.0262(10) Uani 1 1 d . . . . .
H8_3 H -0.024836 0.803809 0.992570 0.031 Uiso 1 1 calc R U . . .
C9_3 C -0.1045(4) 0.9300(3) 1.0054(2) 0.0319(11) Uani 1 1 d . . . . .
H9_3 H -0.084062 0.938715 1.042493 0.038 Uiso 1 1 calc R U . . .
C10_3 C -0.1699(4) 0.9987(3) 0.9796(2) 0.0338(12) Uani 1 1 d . . . . .
H10_3 H -0.191819 1.053765 0.998825 0.041 Uiso 1 1 calc R U . . .
C11_3 C -0.2016(4) 0.9839(3) 0.9251(2) 0.0334(12) Uani 1 1 d . . . . .
H11_3 H -0.245921 1.029286 0.908021 0.040 Uiso 1 1 calc R U . . .
C12_3 C -0.1685(4) 0.9023(3) 0.8955(2) 0.0257(10) Uani 1 1 d . . . . .
H12_3 H -0.190621 0.893330 0.858822 0.031 Uiso 1 1 calc R U . . .
C13_3 C 0.0959(3) 0.6994(3) 0.88697(19) 0.0172(8) Uani 1 1 d . . . . .
H13_3 H 0.115522 0.649538 0.909782 0.021 Uiso 1 1 calc R U . . .
C14_3 C 0.1812(3) 0.7442(3) 0.86001(19) 0.0175(9) Uani 1 1 d . . . . .
C15_3 C 0.1617(3) 0.8271(3) 0.82281(19) 0.0177(9) Uani 1 1 d . . . . .
H15_3 H 0.080749 0.834537 0.818240 0.021 Uiso 1 1 calc R U . . .
C16_3 C 0.1818(4) 0.9110(3) 0.8549(2) 0.0209(9) Uani 1 1 d . . . . .
H16A_3 H 0.129671 0.917784 0.893190 0.025 Uiso 1 1 calc R U . . .
H16B_3 H 0.259862 0.903826 0.862762 0.025 Uiso 1 1 calc R U . . .
C17_3 C 0.1625(4) 0.9949(3) 0.8171(2) 0.0290(11) Uani 1 1 d . . . . .
H17A_3 H 0.181226 1.045984 0.837203 0.035 Uiso 1 1 calc R U . . .
H17B_3 H 0.082036 1.006305 0.813321 0.035 Uiso 1 1 calc R U . . .
C18_3 C 0.2369(5) 0.9842(3) 0.7546(2) 0.0341(12) Uani 1 1 d . . . . .
H18A_3 H 0.220813 1.037383 0.731018 0.041 Uiso 1 1 calc R U . . .
H18B_3 H 0.317437 0.978239 0.758305 0.041 Uiso 1 1 calc R U . . .
C19_3 C 0.2138(4) 0.9026(3) 0.7226(2) 0.0291(11) Uani 1 1 d . . . . .
H19A_3 H 0.264093 0.896189 0.683677 0.035 Uiso 1 1 calc R U . . .
H19B_3 H 0.134898 0.910827 0.715863 0.035 Uiso 1 1 calc R U . . .
C20_3 C 0.2341(4) 0.8178(3) 0.7596(2) 0.0245(10) Uani 1 1 d . . . . .
H20A_3 H 0.214587 0.767221 0.739408 0.029 Uiso 1 1 calc R U . . .
H20B_3 H 0.314955 0.806145 0.762635 0.029 Uiso 1 1 calc R U . . .
C22_3 C 0.4982(4) 0.7030(4) 0.8696(3) 0.0395(13) Uani 1 1 d D U . . .
C25A_3 C 0.6045(7) 0.7206(8) 0.8291(6) 0.067(4) Uani 0.656(13) 1 d D U P A 1
H25A_3 H 0.594618 0.716015 0.788083 0.100 Uiso 0.656(13) 1 calc R U P A 1
H25B_3 H 0.667236 0.677511 0.836420 0.100 Uiso 0.656(13) 1 calc R U P A 1
H25C_3 H 0.620909 0.779784 0.836455 0.100 Uiso 0.656(13) 1 calc R U P A 1
C26A_3 C 0.5042(9) 0.7396(8) 0.9343(5) 0.067(4) Uani 0.656(13) 1 d D U P A 1
H26A_3 H 0.501679 0.803569 0.932821 0.101 Uiso 0.656(13) 1 calc R U P A 1
H26B_3 H 0.574570 0.713547 0.946264 0.101 Uiso 0.656(13) 1 calc R U P A 1
H26C_3 H 0.439967 0.723725 0.962765 0.101 Uiso 0.656(13) 1 calc R U P A 1
C25B_3 C 0.5522(18) 0.6811(16) 0.8000(7) 0.080(8) Uani 0.344(13) 1 d D U P A 2
H25D_3 H 0.503816 0.645758 0.783374 0.120 Uiso 0.344(13) 1 calc R U P A 2
H25E_3 H 0.627685 0.648357 0.797339 0.120 Uiso 0.344(13) 1 calc R U P A 2
H25F_3 H 0.557399 0.736048 0.777982 0.120 Uiso 0.344(13) 1 calc R U P A 2
C26B_3 C 0.5885(15) 0.7559(13) 0.8871(12) 0.072(8) Uani 0.344(13) 1 d D U P A 2
H26D_3 H 0.659153 0.716994 0.886473 0.108 Uiso 0.344(13) 1 calc R U P A 2
H26E_3 H 0.561728 0.780140 0.926821 0.108 Uiso 0.344(13) 1 calc R U P A 2
H26F_3 H 0.601315 0.803913 0.859047 0.108 Uiso 0.344(13) 1 calc R U P A 2
C21_3 C 0.4630(4) 0.6124(4) 0.8813(3) 0.0521(16) Uani 1 1 d D U . . .
C23A_3 C 0.4980(8) 0.5635(7) 0.8151(5) 0.071(3) Uani 0.684(10) 1 d D U P B 1
H23A_3 H 0.469726 0.602464 0.785388 0.107 Uiso 0.684(10) 1 calc R U P B 1
H23B_3 H 0.464616 0.508593 0.816417 0.107 Uiso 0.684(10) 1 calc R U P B 1
H23C_3 H 0.580253 0.550828 0.804796 0.107 Uiso 0.684(10) 1 calc R U P B 1
C24A_3 C 0.5040(7) 0.5471(7) 0.9226(6) 0.065(3) Uani 0.684(10) 1 d D U P B 1
H24A_3 H 0.468840 0.493553 0.920656 0.077 Uiso 0.684(10) 1 calc R U P B 1
H24B_3 H 0.484450 0.570818 0.962749 0.077 Uiso 0.684(10) 1 calc R U P B 1
H24C_3 H 0.586056 0.533372 0.911920 0.077 Uiso 0.684(10) 1 calc R U P B 1
C23B_3 C 0.5240(17) 0.5186(12) 0.8751(13) 0.067(5) Uani 0.316(10) 1 d D U P B 2
H23D_3 H 0.524803 0.496564 0.835435 0.101 Uiso 0.316(10) 1 calc R U P B 2
H23E_3 H 0.484659 0.480890 0.904369 0.101 Uiso 0.316(10) 1 calc R U P B 2
H23F_3 H 0.601630 0.518355 0.881487 0.101 Uiso 0.316(10) 1 calc R U P B 2
C24B_3 C 0.4642(16) 0.6277(16) 0.9532(8) 0.069(5) Uani 0.316(10) 1 d D U P B 2
H24D_3 H 0.541824 0.616175 0.960390 0.103 Uiso 0.316(10) 1 calc R U P B 2
H24E_3 H 0.418117 0.587372 0.976835 0.103 Uiso 0.316(10) 1 calc R U P B 2
H24F_3 H 0.433419 0.688302 0.964244 0.103 Uiso 0.316(10) 1 calc R U P B 2
C1_3 C -0.1231(4) 0.6445(3) 0.9298(2) 0.0207(9) Uani 1 1 d . . . . .


_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
P1_1 Au1_1 2.2255(11) . ?
P1_1 C7_1 1.807(4) . ?
P1_1 C13_1 1.808(4) . ?
P1_1 C1_1 1.816(4) . ?
Au1_1 Cl1_1 2.2747(12) . ?
B1_1 O1_1 1.348(6) . ?
B1_1 O2_1 1.345(6) . ?
B1_1 C14_1 1.582(6) . ?
O1_1 C24_1 1.458(5) . ?
C2_1 H2_1 0.9300 . ?
C2_1 C3_1 1.385(7) . ?
C2_1 C1_1 1.398(6) . ?
O2_1 C21_1 1.445(5) . ?
C3_1 H3_1 0.9300 . ?
C3_1 C4_1 1.374(8) . ?
C4_1 H4_1 0.9300 . ?
C4_1 C5_1 1.375(8) . ?
C5_1 H5_1 0.9300 . ?
C5_1 C6_1 1.395(7) . ?
C6_1 H6_1 0.9300 . ?
C6_1 C1_1 1.389(7) . ?
C7_1 C8_1 1.392(6) . ?
C7_1 C12_1 1.394(6) . ?
C8_1 H8_1 0.9300 . ?
C8_1 C9_1 1.389(6) . ?
C9_1 H9_1 0.9300 . ?
C9_1 C10_1 1.391(7) . ?
C10_1 H10_1 0.9300 . ?
C10_1 C11_1 1.373(7) . ?
C11_1 H11_1 0.9300 . ?
C11_1 C12_1 1.395(7) . ?
C12_1 H12_1 0.9300 . ?
C13_1 H13_1 0.9300 . ?
C13_1 C14_1 1.334(6) . ?
C14_1 C15_1 1.507(6) . ?
C15_1 H15_1 0.9800 . ?
C15_1 C16_1 1.534(6) . ?
C15_1 C17_1 1.530(6) . ?
C16_1 H16A_1 0.9700 . ?
C16_1 H16B_1 0.9700 . ?
C16_1 C20_1 1.529(6) . ?
C17_1 H17A_1 0.9700 . ?
C17_1 H17B_1 0.9700 . ?
C17_1 C18_1 1.528(6) . ?
C18_1 H18A_1 0.9700 . ?
C18_1 H18B_1 0.9700 . ?
C18_1 C19_1 1.526(7) . ?
C19_1 H19A_1 0.9700 . ?
C19_1 H19B_1 0.9700 . ?
C19_1 C20_1 1.520(7) . ?
C20_1 H20A_1 0.9700 . ?
C20_1 H20B_1 0.9700 . ?
C21_1 C22_1 1.513(7) . ?
C21_1 C23_1 1.501(8) . ?
C21_1 C24_1 1.561(7) . ?
C22_1 H22A_1 0.9600 . ?
C22_1 H22B_1 0.9600 . ?
C22_1 H22C_1 0.9600 . ?
C23_1 H23A_1 0.9600 . ?
C23_1 H23B_1 0.9600 . ?
C23_1 H23C_1 0.9600 . ?
C24_1 C25_1 1.503(7) . ?
C24_1 C26_1 1.504(8) . ?
C25_1 H25A_1 0.9600 . ?
C25_1 H25B_1 0.9600 . ?
C25_1 H25C_1 0.9600 . ?
C26_1 H26A_1 0.9600 . ?
C26_1 H26B_1 0.9600 . ?
C26_1 H26C_1 0.9600 . ?
C1_2 P1_2 1.825(4) . ?
C1_2 C2_2 1.382(6) . ?
C1_2 C6_2 1.390(6) . ?
P1_2 Au1_2 2.2390(11) . ?
P1_2 C7_2 1.814(4) . ?
P1_2 C13_2 1.804(4) . ?
Au1_2 Cl1_2 2.2804(11) . ?
O1_2 B1_2 1.347(6) . ?
O1_2 C21_2 1.459(5) . ?
B1_2 O2_2 1.345(6) . ?
B1_2 C14_2 1.572(6) . ?
C2_2 H2_2 0.9300 . ?
C2_2 C3_2 1.398(7) . ?
O2_2 C24_2 1.457(5) . ?
C3_2 H3_2 0.9300 . ?
C3_2 C4_2 1.383(7) . ?
C4_2 H4_2 0.9300 . ?
C4_2 C5_2 1.372(7) . ?
C5_2 H5_2 0.9300 . ?
C5_2 C6_2 1.396(7) . ?
C6_2 H6_2 0.9300 . ?
C7_2 C8_2 1.382(6) . ?
C7_2 C12_2 1.404(6) . ?
C8_2 H8_2 0.9300 . ?
C8_2 C9_2 1.395(6) . ?
C9_2 H9_2 0.9300 . ?
C9_2 C10_2 1.376(7) . ?
C10_2 H10_2 0.9300 . ?
C10_2 C11_2 1.382(7) . ?
C11_2 H11_2 0.9300 . ?
C11_2 C12_2 1.376(6) . ?
C12_2 H12_2 0.9300 . ?
C13_2 H13_2 0.9300 . ?
C13_2 C14_2 1.344(6) . ?
C14_2 C15_2 1.502(6) . ?
C15_2 H15_2 0.9800 . ?
C15_2 C16_2 1.533(6) . ?
C15_2 C20_2 1.531(6) . ?
C16_2 H16A_2 0.9700 . ?
C16_2 H16B_2 0.9700 . ?
C16_2 C17_2 1.518(6) . ?
C17_2 H17A_2 0.9700 . ?
C17_2 H17B_2 0.9700 . ?
C17_2 C18_2 1.516(7) . ?
C18_2 H18A_2 0.9700 . ?
C18_2 H18B_2 0.9700 . ?
C18_2 C19_2 1.532(7) . ?
C19_2 H19A_2 0.9700 . ?
C19_2 H19B_2 0.9700 . ?
C19_2 C20_2 1.522(6) . ?
C20_2 H20A_2 0.9700 . ?
C20_2 H20B_2 0.9700 . ?
C21_2 C22_2 1.502(8) . ?
C21_2 C23_2 1.519(7) . ?
C21_2 C24_2 1.561(7) . ?
C22_2 H22A_2 0.9600 . ?
C22_2 H22B_2 0.9600 . ?
C22_2 H22C_2 0.9600 . ?
C23_2 H23A_2 0.9600 . ?
C23_2 H23B_2 0.9600 . ?
C23_2 H23C_2 0.9600 . ?
C24_2 C25_2 1.514(7) . ?
C24_2 C26_2 1.503(7) . ?
C25_2 H25A_2 0.9600 . ?
C25_2 H25B_2 0.9600 . ?
C25_2 H25C_2 0.9600 . ?
C26_2 H26A_2 0.9600 . ?
C26_2 H26B_2 0.9600 . ?
C26_2 H26C_2 0.9600 . ?
P1_3 Au1_3 2.2369(11) . ?
P1_3 C7_3 1.809(5) . ?
P1_3 C13_3 1.810(4) . ?
P1_3 C1_3 1.815(4) . ?
O1_3 B1_3 1.361(6) . ?
O1_3 C21_3 1.448(5) . ?
B1_3 O2_3 1.353(6) . ?
B1_3 C14_3 1.580(6) . ?
Au1_3 Cl1_3 2.2823(12) . ?
C2_3 H2_3 0.9300 . ?
C2_3 C3_3 1.391(7) . ?
C2_3 C1_3 1.385(6) . ?
O2_3 C22_3 1.448(5) . ?
C3_3 H3_3 0.9300 . ?
C3_3 C4_3 1.382(8) . ?
C4_3 H4_3 0.9300 . ?
C4_3 C5_3 1.371(8) . ?
C5_3 H5_3 0.9300 . ?
C5_3 C6_3 1.390(7) . ?
C6_3 H6_3 0.9300 . ?
C6_3 C1_3 1.385(7) . ?
C7_3 C8_3 1.391(6) . ?
C7_3 C12_3 1.390(6) . ?
C8_3 H8_3 0.9300 . ?
C8_3 C9_3 1.385(7) . ?
C9_3 H9_3 0.9300 . ?
C9_3 C10_3 1.394(7) . ?
C10_3 H10_3 0.9300 . ?
C10_3 C11_3 1.380(8) . ?
C11_3 H11_3 0.9300 . ?
C11_3 C12_3 1.389(7) . ?
C12_3 H12_3 0.9300 . ?
C13_3 H13_3 0.9300 . ?
C13_3 C14_3 1.341(6) . ?
C14_3 C15_3 1.506(6) . ?
C15_3 H15_3 0.9800 . ?
C15_3 C16_3 1.535(6) . ?
C15_3 C20_3 1.529(6) . ?
C16_3 H16A_3 0.9700 . ?
C16_3 H16B_3 0.9700 . ?
C16_3 C17_3 1.526(6) . ?
C17_3 H17A_3 0.9700 . ?
C17_3 H17B_3 0.9700 . ?
C17_3 C18_3 1.526(7) . ?
C18_3 H18A_3 0.9700 . ?
C18_3 H18B_3 0.9700 . ?
C18_3 C19_3 1.518(7) . ?
C19_3 H19A_3 0.9700 . ?
C19_3 H19B_3 0.9700 . ?
C19_3 C20_3 1.530(6) . ?
C20_3 H20A_3 0.9700 . ?
C20_3 H20B_3 0.9700 . ?
C22_3 C25A_3 1.473(10) . ?
C22_3 C26A_3 1.588(11) . ?
C22_3 C25B_3 1.612(16) . ?
C22_3 C26B_3 1.526(15) . ?
C22_3 C21_3 1.483(8) . ?
C25A_3 H25A_3 0.9600 . ?
C25A_3 H25B_3 0.9600 . ?
C25A_3 H25C_3 0.9600 . ?
C26A_3 H26A_3 0.9600 . ?
C26A_3 H26B_3 0.9600 . ?
C26A_3 H26C_3 0.9600 . ?
C25B_3 H25D_3 0.9600 . ?
C25B_3 H25E_3 0.9600 . ?
C25B_3 H25F_3 0.9600 . ?
C26B_3 H26D_3 0.9600 . ?
C26B_3 H26E_3 0.9600 . ?
C26B_3 H26F_3 0.9600 . ?
C21_3 C23A_3 1.643(12) . ?
C21_3 C24A_3 1.442(10) . ?
C21_3 C23B_3 1.501(16) . ?
C21_3 C24B_3 1.648(17) . ?
C23A_3 H23A_3 0.9600 . ?
C23A_3 H23B_3 0.9600 . ?
C23A_3 H23C_3 0.9600 . ?
C24A_3 H24A_3 0.9600 . ?
C24A_3 H24B_3 0.9600 . ?
C24A_3 H24C_3 0.9600 . ?
C23B_3 H23D_3 0.9600 . ?
C23B_3 H23E_3 0.9600 . ?
C23B_3 H23F_3 0.9600 . ?
C24B_3 H24D_3 0.9600 . ?
C24B_3 H24E_3 0.9600 . ?
C24B_3 H24F_3 0.9600 . ?

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
C7_1 P1_1 Au1_1 114.40(15) . . ?
C7_1 P1_1 C13_1 106.1(2) . . ?
C7_1 P1_1 C1_1 107.3(2) . . ?
C13_1 P1_1 Au1_1 114.24(15) . . ?
C13_1 P1_1 C1_1 102.61(19) . . ?
C1_1 P1_1 Au1_1 111.32(15) . . ?
P1_1 Au1_1 Cl1_1 178.59(4) . . ?
O1_1 B1_1 C14_1 122.1(4) . . ?
O2_1 B1_1 O1_1 113.0(4) . . ?
O2_1 B1_1 C14_1 124.8(4) . . ?
B1_1 O1_1 C24_1 109.0(4) . . ?
C3_1 C2_1 H2_1 119.9 . . ?
C3_1 C2_1 C1_1 120.2(5) . . ?
C1_1 C2_1 H2_1 119.9 . . ?
B1_1 O2_1 C21_1 109.5(4) . . ?
C2_1 C3_1 H3_1 119.9 . . ?
C4_1 C3_1 C2_1 120.2(5) . . ?
C4_1 C3_1 H3_1 119.9 . . ?
C3_1 C4_1 H4_1 119.9 . . ?
C3_1 C4_1 C5_1 120.2(5) . . ?
C5_1 C4_1 H4_1 119.9 . . ?
C4_1 C5_1 H5_1 119.9 . . ?
C4_1 C5_1 C6_1 120.3(5) . . ?
C6_1 C5_1 H5_1 119.9 . . ?
C5_1 C6_1 H6_1 120.1 . . ?
C1_1 C6_1 C5_1 119.8(5) . . ?
C1_1 C6_1 H6_1 120.1 . . ?
C8_1 C7_1 P1_1 120.6(3) . . ?
C8_1 C7_1 C12_1 119.3(4) . . ?
C12_1 C7_1 P1_1 120.0(3) . . ?
C7_1 C8_1 H8_1 119.7 . . ?
C9_1 C8_1 C7_1 120.7(4) . . ?
C9_1 C8_1 H8_1 119.7 . . ?
C8_1 C9_1 H9_1 120.3 . . ?
C8_1 C9_1 C10_1 119.4(5) . . ?
C10_1 C9_1 H9_1 120.3 . . ?
C9_1 C10_1 H10_1 119.8 . . ?
C11_1 C10_1 C9_1 120.4(5) . . ?
C11_1 C10_1 H10_1 119.8 . . ?
C10_1 C11_1 H11_1 119.8 . . ?
C10_1 C11_1 C12_1 120.4(4) . . ?
C12_1 C11_1 H11_1 119.8 . . ?
C7_1 C12_1 C11_1 119.8(4) . . ?
C7_1 C12_1 H12_1 120.1 . . ?
C11_1 C12_1 H12_1 120.1 . . ?
P1_1 C13_1 H13_1 117.2 . . ?
C14_1 C13_1 P1_1 125.6(3) . . ?
C14_1 C13_1 H13_1 117.2 . . ?
C13_1 C14_1 B1_1 116.7(4) . . ?
C13_1 C14_1 C15_1 123.2(4) . . ?
C15_1 C14_1 B1_1 120.0(4) . . ?
C14_1 C15_1 H15_1 107.3 . . ?
C14_1 C15_1 C16_1 111.6(3) . . ?
C14_1 C15_1 C17_1 111.9(3) . . ?
C16_1 C15_1 H15_1 107.3 . . ?
C17_1 C15_1 H15_1 107.3 . . ?
C17_1 C15_1 C16_1 111.0(4) . . ?
C15_1 C16_1 H16A_1 109.4 . . ?
C15_1 C16_1 H16B_1 109.4 . . ?
H16A_1 C16_1 H16B_1 108.0 . . ?
C20_1 C16_1 C15_1 111.2(4) . . ?
C20_1 C16_1 H16A_1 109.4 . . ?
C20_1 C16_1 H16B_1 109.4 . . ?
C15_1 C17_1 H17A_1 109.3 . . ?
C15_1 C17_1 H17B_1 109.3 . . ?
H17A_1 C17_1 H17B_1 107.9 . . ?
C18_1 C17_1 C15_1 111.7(4) . . ?
C18_1 C17_1 H17A_1 109.3 . . ?
C18_1 C17_1 H17B_1 109.3 . . ?
C17_1 C18_1 H18A_1 109.5 . . ?
C17_1 C18_1 H18B_1 109.5 . . ?
H18A_1 C18_1 H18B_1 108.1 . . ?
C19_1 C18_1 C17_1 110.7(4) . . ?
C19_1 C18_1 H18A_1 109.5 . . ?
C19_1 C18_1 H18B_1 109.5 . . ?
C18_1 C19_1 H19A_1 109.4 . . ?
C18_1 C19_1 H19B_1 109.4 . . ?
H19A_1 C19_1 H19B_1 108.0 . . ?
C20_1 C19_1 C18_1 111.4(4) . . ?
C20_1 C19_1 H19A_1 109.4 . . ?
C20_1 C19_1 H19B_1 109.4 . . ?
C16_1 C20_1 H20A_1 109.4 . . ?
C16_1 C20_1 H20B_1 109.4 . . ?
C19_1 C20_1 C16_1 111.2(4) . . ?
C19_1 C20_1 H20A_1 109.4 . . ?
C19_1 C20_1 H20B_1 109.4 . . ?
H20A_1 C20_1 H20B_1 108.0 . . ?
O2_1 C21_1 C22_1 108.3(4) . . ?
O2_1 C21_1 C23_1 106.9(5) . . ?
O2_1 C21_1 C24_1 102.9(4) . . ?
C22_1 C21_1 C24_1 113.8(5) . . ?
C23_1 C21_1 C22_1 109.7(5) . . ?
C23_1 C21_1 C24_1 114.6(5) . . ?
C21_1 C22_1 H22A_1 109.5 . . ?
C21_1 C22_1 H22B_1 109.5 . . ?
C21_1 C22_1 H22C_1 109.5 . . ?
H22A_1 C22_1 H22B_1 109.5 . . ?
H22A_1 C22_1 H22C_1 109.5 . . ?
H22B_1 C22_1 H22C_1 109.5 . . ?
C21_1 C23_1 H23A_1 109.5 . . ?
C21_1 C23_1 H23B_1 109.5 . . ?
C21_1 C23_1 H23C_1 109.5 . . ?
H23A_1 C23_1 H23B_1 109.5 . . ?
H23A_1 C23_1 H23C_1 109.5 . . ?
H23B_1 C23_1 H23C_1 109.5 . . ?
O1_1 C24_1 C21_1 103.0(3) . . ?
O1_1 C24_1 C25_1 107.0(4) . . ?
O1_1 C24_1 C26_1 105.9(5) . . ?
C25_1 C24_1 C21_1 115.4(5) . . ?
C25_1 C24_1 C26_1 108.6(5) . . ?
C26_1 C24_1 C21_1 115.9(5) . . ?
C24_1 C25_1 H25A_1 109.5 . . ?
C24_1 C25_1 H25B_1 109.5 . . ?
C24_1 C25_1 H25C_1 109.5 . . ?
H25A_1 C25_1 H25B_1 109.5 . . ?
H25A_1 C25_1 H25C_1 109.5 . . ?
H25B_1 C25_1 H25C_1 109.5 . . ?
C24_1 C26_1 H26A_1 109.5 . . ?
C24_1 C26_1 H26B_1 109.5 . . ?
C24_1 C26_1 H26C_1 109.5 . . ?
H26A_1 C26_1 H26B_1 109.5 . . ?
H26A_1 C26_1 H26C_1 109.5 . . ?
H26B_1 C26_1 H26C_1 109.5 . . ?
C2_1 C1_1 P1_1 117.0(4) . . ?
C6_1 C1_1 P1_1 123.8(4) . . ?
C6_1 C1_1 C2_1 119.1(4) . . ?
C2_2 C1_2 P1_2 120.9(3) . . ?
C2_2 C1_2 C6_2 119.6(4) . . ?
C6_2 C1_2 P1_2 119.4(3) . . ?
C1_2 P1_2 Au1_2 109.08(15) . . ?
C7_2 P1_2 C1_2 108.3(2) . . ?
C7_2 P1_2 Au1_2 115.82(15) . . ?
C13_2 P1_2 C1_2 106.60(19) . . ?
C13_2 P1_2 Au1_2 114.64(15) . . ?
C13_2 P1_2 C7_2 101.8(2) . . ?
P1_2 Au1_2 Cl1_2 174.25(4) . . ?
B1_2 O1_2 C21_2 108.7(4) . . ?
O1_2 B1_2 C14_2 121.5(4) . . ?
O2_2 B1_2 O1_2 113.6(4) . . ?
O2_2 B1_2 C14_2 124.9(4) . . ?
C1_2 C2_2 H2_2 119.9 . . ?
C1_2 C2_2 C3_2 120.2(4) . . ?
C3_2 C2_2 H2_2 119.9 . . ?
B1_2 O2_2 C24_2 109.0(4) . . ?
C2_2 C3_2 H3_2 120.1 . . ?
C4_2 C3_2 C2_2 119.7(5) . . ?
C4_2 C3_2 H3_2 120.1 . . ?
C3_2 C4_2 H4_2 119.9 . . ?
C5_2 C4_2 C3_2 120.3(5) . . ?
C5_2 C4_2 H4_2 119.9 . . ?
C4_2 C5_2 H5_2 119.8 . . ?
C4_2 C5_2 C6_2 120.3(5) . . ?
C6_2 C5_2 H5_2 119.8 . . ?
C1_2 C6_2 C5_2 119.8(5) . . ?
C1_2 C6_2 H6_2 120.1 . . ?
C5_2 C6_2 H6_2 120.1 . . ?
C8_2 C7_2 P1_2 120.2(3) . . ?
C8_2 C7_2 C12_2 118.3(4) . . ?
C12_2 C7_2 P1_2 121.3(3) . . ?
C7_2 C8_2 H8_2 119.5 . . ?
C7_2 C8_2 C9_2 120.9(4) . . ?
C9_2 C8_2 H8_2 119.5 . . ?
C8_2 C9_2 H9_2 120.0 . . ?
C10_2 C9_2 C8_2 120.0(4) . . ?
C10_2 C9_2 H9_2 120.0 . . ?
C9_2 C10_2 H10_2 120.2 . . ?
C9_2 C10_2 C11_2 119.6(4) . . ?
C11_2 C10_2 H10_2 120.2 . . ?
C10_2 C11_2 H11_2 119.6 . . ?
C12_2 C11_2 C10_2 120.7(5) . . ?
C12_2 C11_2 H11_2 119.6 . . ?
C7_2 C12_2 H12_2 119.8 . . ?
C11_2 C12_2 C7_2 120.4(4) . . ?
C11_2 C12_2 H12_2 119.8 . . ?
P1_2 C13_2 H13_2 116.7 . . ?
C14_2 C13_2 P1_2 126.6(3) . . ?
C14_2 C13_2 H13_2 116.7 . . ?
C13_2 C14_2 B1_2 116.6(4) . . ?
C13_2 C14_2 C15_2 122.7(4) . . ?
C15_2 C14_2 B1_2 120.6(4) . . ?
C14_2 C15_2 H15_2 107.9 . . ?
C14_2 C15_2 C16_2 110.7(3) . . ?
C14_2 C15_2 C20_2 111.6(3) . . ?
C16_2 C15_2 H15_2 107.9 . . ?
C20_2 C15_2 H15_2 107.9 . . ?
C20_2 C15_2 C16_2 110.7(4) . . ?
C15_2 C16_2 H16A_2 109.3 . . ?
C15_2 C16_2 H16B_2 109.3 . . ?
H16A_2 C16_2 H16B_2 108.0 . . ?
C17_2 C16_2 C15_2 111.6(4) . . ?
C17_2 C16_2 H16A_2 109.3 . . ?
C17_2 C16_2 H16B_2 109.3 . . ?
C16_2 C17_2 H17A_2 109.4 . . ?
C16_2 C17_2 H17B_2 109.4 . . ?
H17A_2 C17_2 H17B_2 108.0 . . ?
C18_2 C17_2 C16_2 111.0(4) . . ?
C18_2 C17_2 H17A_2 109.4 . . ?
C18_2 C17_2 H17B_2 109.4 . . ?
C17_2 C18_2 H18A_2 109.4 . . ?
C17_2 C18_2 H18B_2 109.4 . . ?
C17_2 C18_2 C19_2 111.0(4) . . ?
H18A_2 C18_2 H18B_2 108.0 . . ?
C19_2 C18_2 H18A_2 109.4 . . ?
C19_2 C18_2 H18B_2 109.4 . . ?
C18_2 C19_2 H19A_2 109.4 . . ?
C18_2 C19_2 H19B_2 109.4 . . ?
H19A_2 C19_2 H19B_2 108.0 . . ?
C20_2 C19_2 C18_2 111.2(4) . . ?
C20_2 C19_2 H19A_2 109.4 . . ?
C20_2 C19_2 H19B_2 109.4 . . ?
C15_2 C20_2 H20A_2 109.3 . . ?
C15_2 C20_2 H20B_2 109.3 . . ?
C19_2 C20_2 C15_2 111.6(4) . . ?
C19_2 C20_2 H20A_2 109.3 . . ?
C19_2 C20_2 H20B_2 109.3 . . ?
H20A_2 C20_2 H20B_2 108.0 . . ?
O1_2 C21_2 C22_2 105.9(4) . . ?
O1_2 C21_2 C23_2 107.8(4) . . ?
O1_2 C21_2 C24_2 103.1(3) . . ?
C22_2 C21_2 C23_2 110.5(5) . . ?
C22_2 C21_2 C24_2 114.4(5) . . ?
C23_2 C21_2 C24_2 114.3(5) . . ?
C21_2 C22_2 H22A_2 109.5 . . ?
C21_2 C22_2 H22B_2 109.5 . . ?
C21_2 C22_2 H22C_2 109.5 . . ?
H22A_2 C22_2 H22B_2 109.5 . . ?
H22A_2 C22_2 H22C_2 109.5 . . ?
H22B_2 C22_2 H22C_2 109.5 . . ?
C21_2 C23_2 H23A_2 109.5 . . ?
C21_2 C23_2 H23B_2 109.5 . . ?
C21_2 C23_2 H23C_2 109.5 . . ?
H23A_2 C23_2 H23B_2 109.5 . . ?
H23A_2 C23_2 H23C_2 109.5 . . ?
H23B_2 C23_2 H23C_2 109.5 . . ?
O2_2 C24_2 C21_2 102.9(3) . . ?
O2_2 C24_2 C25_2 107.6(4) . . ?
O2_2 C24_2 C26_2 106.8(4) . . ?
C25_2 C24_2 C21_2 114.9(4) . . ?
C26_2 C24_2 C21_2 114.9(5) . . ?
C26_2 C24_2 C25_2 109.1(5) . . ?
C24_2 C25_2 H25A_2 109.5 . . ?
C24_2 C25_2 H25B_2 109.5 . . ?
C24_2 C25_2 H25C_2 109.5 . . ?
H25A_2 C25_2 H25B_2 109.5 . . ?
H25A_2 C25_2 H25C_2 109.5 . . ?
H25B_2 C25_2 H25C_2 109.5 . . ?
C24_2 C26_2 H26A_2 109.5 . . ?
C24_2 C26_2 H26B_2 109.5 . . ?
C24_2 C26_2 H26C_2 109.5 . . ?
H26A_2 C26_2 H26B_2 109.5 . . ?
H26A_2 C26_2 H26C_2 109.5 . . ?
H26B_2 C26_2 H26C_2 109.5 . . ?
C7_3 P1_3 Au1_3 112.25(15) . . ?
C7_3 P1_3 C13_3 107.0(2) . . ?
C7_3 P1_3 C1_3 106.3(2) . . ?
C13_3 P1_3 Au1_3 113.45(14) . . ?
C13_3 P1_3 C1_3 102.87(19) . . ?
C1_3 P1_3 Au1_3 114.21(15) . . ?
B1_3 O1_3 C21_3 106.7(4) . . ?
O1_3 B1_3 C14_3 122.8(4) . . ?
O2_3 B1_3 O1_3 113.6(4) . . ?
O2_3 B1_3 C14_3 123.6(4) . . ?
P1_3 Au1_3 Cl1_3 178.54(4) . . ?
C3_3 C2_3 H2_3 119.9 . . ?
C1_3 C2_3 H2_3 119.9 . . ?
C1_3 C2_3 C3_3 120.1(5) . . ?
B1_3 O2_3 C22_3 107.5(4) . . ?
C2_3 C3_3 H3_3 119.6 . . ?
C4_3 C3_3 C2_3 120.7(5) . . ?
C4_3 C3_3 H3_3 119.6 . . ?
C3_3 C4_3 H4_3 120.4 . . ?
C5_3 C4_3 C3_3 119.1(5) . . ?
C5_3 C4_3 H4_3 120.4 . . ?
C4_3 C5_3 H5_3 119.7 . . ?
C4_3 C5_3 C6_3 120.5(5) . . ?
C6_3 C5_3 H5_3 119.7 . . ?
C5_3 C6_3 H6_3 119.7 . . ?
C1_3 C6_3 C5_3 120.6(5) . . ?
C1_3 C6_3 H6_3 119.7 . . ?
C8_3 C7_3 P1_3 119.9(3) . . ?
C12_3 C7_3 P1_3 120.8(4) . . ?
C12_3 C7_3 C8_3 119.3(4) . . ?
C7_3 C8_3 H8_3 119.7 . . ?
C9_3 C8_3 C7_3 120.7(4) . . ?
C9_3 C8_3 H8_3 119.7 . . ?
C8_3 C9_3 H9_3 120.0 . . ?
C8_3 C9_3 C10_3 119.9(5) . . ?
C10_3 C9_3 H9_3 120.0 . . ?
C9_3 C10_3 H10_3 120.4 . . ?
C11_3 C10_3 C9_3 119.2(5) . . ?
C11_3 C10_3 H10_3 120.4 . . ?
C10_3 C11_3 H11_3 119.4 . . ?
C10_3 C11_3 C12_3 121.2(5) . . ?
C12_3 C11_3 H11_3 119.4 . . ?
C7_3 C12_3 H12_3 120.2 . . ?
C11_3 C12_3 C7_3 119.7(5) . . ?
C11_3 C12_3 H12_3 120.2 . . ?
P1_3 C13_3 H13_3 117.4 . . ?
C14_3 C13_3 P1_3 125.1(3) . . ?
C14_3 C13_3 H13_3 117.4 . . ?
C13_3 C14_3 B1_3 118.0(4) . . ?
C13_3 C14_3 C15_3 123.2(4) . . ?
C15_3 C14_3 B1_3 118.8(4) . . ?
C14_3 C15_3 H15_3 107.2 . . ?
C14_3 C15_3 C16_3 111.4(3) . . ?
C14_3 C15_3 C20_3 112.0(3) . . ?
C16_3 C15_3 H15_3 107.2 . . ?
C20_3 C15_3 H15_3 107.2 . . ?
C20_3 C15_3 C16_3 111.5(4) . . ?
C15_3 C16_3 H16A_3 109.3 . . ?
C15_3 C16_3 H16B_3 109.3 . . ?
H16A_3 C16_3 H16B_3 108.0 . . ?
C17_3 C16_3 C15_3 111.5(4) . . ?
C17_3 C16_3 H16A_3 109.3 . . ?
C17_3 C16_3 H16B_3 109.3 . . ?
C16_3 C17_3 H17A_3 109.4 . . ?
C16_3 C17_3 H17B_3 109.4 . . ?
C16_3 C17_3 C18_3 111.0(4) . . ?
H17A_3 C17_3 H17B_3 108.0 . . ?
C18_3 C17_3 H17A_3 109.4 . . ?
C18_3 C17_3 H17B_3 109.4 . . ?
C17_3 C18_3 H18A_3 109.4 . . ?
C17_3 C18_3 H18B_3 109.4 . . ?
H18A_3 C18_3 H18B_3 108.0 . . ?
C19_3 C18_3 C17_3 111.2(4) . . ?
C19_3 C18_3 H18A_3 109.4 . . ?
C19_3 C18_3 H18B_3 109.4 . . ?
C18_3 C19_3 H19A_3 109.5 . . ?
C18_3 C19_3 H19B_3 109.5 . . ?
C18_3 C19_3 C20_3 110.9(4) . . ?
H19A_3 C19_3 H19B_3 108.1 . . ?
C20_3 C19_3 H19A_3 109.5 . . ?
C20_3 C19_3 H19B_3 109.5 . . ?
C15_3 C20_3 C19_3 111.3(4) . . ?
C15_3 C20_3 H20A_3 109.4 . . ?
C15_3 C20_3 H20B_3 109.4 . . ?
C19_3 C20_3 H20A_3 109.4 . . ?
C19_3 C20_3 H20B_3 109.4 . . ?
H20A_3 C20_3 H20B_3 108.0 . . ?
O2_3 C22_3 C25A_3 113.2(6) . . ?
O2_3 C22_3 C26A_3 100.6(5) . . ?
O2_3 C22_3 C25B_3 94.9(8) . . ?
O2_3 C22_3 C26B_3 114.1(8) . . ?
O2_3 C22_3 C21_3 105.1(4) . . ?
C25A_3 C22_3 C26A_3 107.2(7) . . ?
C25A_3 C22_3 C21_3 123.7(7) . . ?
C26B_3 C22_3 C25B_3 100.8(13) . . ?
C21_3 C22_3 C26A_3 104.3(7) . . ?
C21_3 C22_3 C25B_3 93.3(10) . . ?
C21_3 C22_3 C26B_3 136.8(9) . . ?
C22_3 C25A_3 H25A_3 109.5 . . ?
C22_3 C25A_3 H25B_3 109.5 . . ?
C22_3 C25A_3 H25C_3 109.5 . . ?
H25A_3 C25A_3 H25B_3 109.5 . . ?
H25A_3 C25A_3 H25C_3 109.5 . . ?
H25B_3 C25A_3 H25C_3 109.5 . . ?
C22_3 C26A_3 H26A_3 109.5 . . ?
C22_3 C26A_3 H26B_3 109.5 . . ?
C22_3 C26A_3 H26C_3 109.5 . . ?
H26A_3 C26A_3 H26B_3 109.5 . . ?
H26A_3 C26A_3 H26C_3 109.5 . . ?
H26B_3 C26A_3 H26C_3 109.5 . . ?
C22_3 C25B_3 H25D_3 109.5 . . ?
C22_3 C25B_3 H25E_3 109.5 . . ?
C22_3 C25B_3 H25F_3 109.5 . . ?
H25D_3 C25B_3 H25E_3 109.5 . . ?
H25D_3 C25B_3 H25F_3 109.5 . . ?
H25E_3 C25B_3 H25F_3 109.5 . . ?
C22_3 C26B_3 H26D_3 109.5 . . ?
C22_3 C26B_3 H26E_3 109.5 . . ?
C22_3 C26B_3 H26F_3 109.5 . . ?
H26D_3 C26B_3 H26E_3 109.5 . . ?
H26D_3 C26B_3 H26F_3 109.5 . . ?
H26E_3 C26B_3 H26F_3 109.5 . . ?
O1_3 C21_3 C22_3 105.7(4) . . ?
O1_3 C21_3 C23A_3 100.3(5) . . ?
O1_3 C21_3 C23B_3 117.8(10) . . ?
O1_3 C21_3 C24B_3 94.9(8) . . ?
C22_3 C21_3 C23A_3 103.6(6) . . ?
C22_3 C21_3 C23B_3 135.0(10) . . ?
C22_3 C21_3 C24B_3 88.3(10) . . ?
C24A_3 C21_3 O1_3 112.4(6) . . ?
C24A_3 C21_3 C22_3 126.5(7) . . ?
C24A_3 C21_3 C23A_3 104.9(7) . . ?
C23B_3 C21_3 C24B_3 98.4(12) . . ?
C21_3 C23A_3 H23A_3 109.5 . . ?
C21_3 C23A_3 H23B_3 109.5 . . ?
C21_3 C23A_3 H23C_3 109.5 . . ?
H23A_3 C23A_3 H23B_3 109.5 . . ?
H23A_3 C23A_3 H23C_3 109.5 . . ?
H23B_3 C23A_3 H23C_3 109.5 . . ?
C21_3 C24A_3 H24A_3 109.5 . . ?
C21_3 C24A_3 H24B_3 109.5 . . ?
C21_3 C24A_3 H24C_3 109.5 . . ?
H24A_3 C24A_3 H24B_3 109.5 . . ?
H24A_3 C24A_3 H24C_3 109.5 . . ?
H24B_3 C24A_3 H24C_3 109.5 . . ?
C21_3 C23B_3 H23D_3 109.5 . . ?
C21_3 C23B_3 H23E_3 109.5 . . ?
C21_3 C23B_3 H23F_3 109.5 . . ?
H23D_3 C23B_3 H23E_3 109.5 . . ?
H23D_3 C23B_3 H23F_3 109.5 . . ?
H23E_3 C23B_3 H23F_3 109.5 . . ?
C21_3 C24B_3 H24D_3 109.5 . . ?
C21_3 C24B_3 H24E_3 109.5 . . ?
C21_3 C24B_3 H24F_3 109.5 . . ?
H24D_3 C24B_3 H24E_3 109.5 . . ?
H24D_3 C24B_3 H24F_3 109.5 . . ?
H24E_3 C24B_3 H24F_3 109.5 . . ?
C2_3 C1_3 P1_3 123.5(4) . . ?
C2_3 C1_3 C6_3 118.8(4) . . ?
C6_3 C1_3 P1_3 117.7(4) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C8_1 H8_1 Cl1_2 0.93 2.94 3.707(5) 140.5 2_666 yes
C2_2 H2_2 Cl1_3 0.93 2.89 3.638(5) 138.7 1_655 yes
C22_2 H22B_2 Cl1_3 0.96 2.94 3.841(7) 156.2 1_655 yes
C8_3 H8_3 Cl1_1 0.93 2.78 3.579(5) 144.3 2_667 yes
C24B_3 H24F_3 Cl1_1 0.96 2.99 3.639(19) 126.4 2_667 yes

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
P1_1 C7_1 C8_1 C9_1 -177.5(4) . . . . ?
P1_1 C7_1 C12_1 C11_1 176.7(4) . . . . ?
P1_1 C13_1 C14_1 B1_1 -178.5(3) . . . . ?
P1_1 C13_1 C14_1 C15_1 -1.5(6) . . . . ?
Au1_1 P1_1 C7_1 C8_1 164.0(3) . . . . ?
Au1_1 P1_1 C7_1 C12_1 -13.1(4) . . . . ?
Au1_1 P1_1 C13_1 C14_1 -58.2(4) . . . . ?
Au1_1 P1_1 C1_1 C2_1 -44.8(4) . . . . ?
Au1_1 P1_1 C1_1 C6_1 137.7(3) . . . . ?
B1_1 O1_1 C24_1 C21_1 -11.3(5) . . . . ?
B1_1 O1_1 C24_1 C25_1 -133.4(5) . . . . ?
B1_1 O1_1 C24_1 C26_1 110.9(5) . . . . ?
B1_1 O2_1 C21_1 C22_1 -135.6(5) . . . . ?
B1_1 O2_1 C21_1 C23_1 106.3(5) . . . . ?
B1_1 O2_1 C21_1 C24_1 -14.8(6) . . . . ?
B1_1 C14_1 C15_1 C16_1 66.2(5) . . . . ?
B1_1 C14_1 C15_1 C17_1 -59.0(5) . . . . ?
O1_1 B1_1 O2_1 C21_1 8.6(6) . . . . ?
O1_1 B1_1 C14_1 C13_1 -3.0(7) . . . . ?
O1_1 B1_1 C14_1 C15_1 179.9(4) . . . . ?
C2_1 C3_1 C4_1 C5_1 -1.4(8) . . . . ?
O2_1 B1_1 O1_1 C24_1 2.5(6) . . . . ?
O2_1 B1_1 C14_1 C13_1 178.8(5) . . . . ?
O2_1 B1_1 C14_1 C15_1 1.7(7) . . . . ?
O2_1 C21_1 C24_1 O1_1 15.4(5) . . . . ?
O2_1 C21_1 C24_1 C25_1 131.6(5) . . . . ?
O2_1 C21_1 C24_1 C26_1 -99.7(5) . . . . ?
C3_1 C2_1 C1_1 P1_1 -174.4(4) . . . . ?
C3_1 C2_1 C1_1 C6_1 3.2(7) . . . . ?
C3_1 C4_1 C5_1 C6_1 2.3(8) . . . . ?
C4_1 C5_1 C6_1 C1_1 -0.5(7) . . . . ?
C5_1 C6_1 C1_1 P1_1 175.2(4) . . . . ?
C5_1 C6_1 C1_1 C2_1 -2.2(7) . . . . ?
C7_1 P1_1 C13_1 C14_1 68.8(4) . . . . ?
C7_1 P1_1 C1_1 C2_1 -170.6(3) . . . . ?
C7_1 P1_1 C1_1 C6_1 11.9(4) . . . . ?
C7_1 C8_1 C9_1 C10_1 1.0(7) . . . . ?
C8_1 C7_1 C12_1 C11_1 -0.3(7) . . . . ?
C8_1 C9_1 C10_1 C11_1 -0.6(7) . . . . ?
C9_1 C10_1 C11_1 C12_1 -0.2(8) . . . . ?
C10_1 C11_1 C12_1 C7_1 0.7(7) . . . . ?
C12_1 C7_1 C8_1 C9_1 -0.5(7) . . . . ?
C13_1 P1_1 C7_1 C8_1 37.1(4) . . . . ?
C13_1 P1_1 C7_1 C12_1 -139.9(4) . . . . ?
C13_1 P1_1 C1_1 C2_1 77.8(4) . . . . ?
C13_1 P1_1 C1_1 C6_1 -99.7(4) . . . . ?
C13_1 C14_1 C15_1 C16_1 -110.7(5) . . . . ?
C13_1 C14_1 C15_1 C17_1 124.1(5) . . . . ?
C14_1 B1_1 O1_1 C24_1 -175.9(4) . . . . ?
C14_1 B1_1 O2_1 C21_1 -173.1(4) . . . . ?
C14_1 C15_1 C16_1 C20_1 179.8(4) . . . . ?
C14_1 C15_1 C17_1 C18_1 -179.7(4) . . . . ?
C15_1 C16_1 C20_1 C19_1 55.4(5) . . . . ?
C15_1 C17_1 C18_1 C19_1 -55.5(5) . . . . ?
C16_1 C15_1 C17_1 C18_1 54.9(5) . . . . ?
C17_1 C15_1 C16_1 C20_1 -54.6(5) . . . . ?
C17_1 C18_1 C19_1 C20_1 56.1(5) . . . . ?
C18_1 C19_1 C20_1 C16_1 -56.3(5) . . . . ?
C22_1 C21_1 C24_1 O1_1 132.3(5) . . . . ?
C22_1 C21_1 C24_1 C25_1 -111.5(5) . . . . ?
C22_1 C21_1 C24_1 C26_1 17.2(7) . . . . ?
C23_1 C21_1 C24_1 O1_1 -100.3(5) . . . . ?
C23_1 C21_1 C24_1 C25_1 15.8(6) . . . . ?
C23_1 C21_1 C24_1 C26_1 144.5(5) . . . . ?
C1_1 P1_1 C7_1 C8_1 -72.0(4) . . . . ?
C1_1 P1_1 C7_1 C12_1 110.9(4) . . . . ?
C1_1 P1_1 C13_1 C14_1 -178.8(4) . . . . ?
C1_1 C2_1 C3_1 C4_1 -1.4(7) . . . . ?
C1_2 P1_2 C7_2 C8_2 112.4(4) . . . . ?
C1_2 P1_2 C7_2 C12_2 -72.1(4) . . . . ?
C1_2 P1_2 C13_2 C14_2 -67.3(4) . . . . ?
C1_2 C2_2 C3_2 C4_2 -0.8(8) . . . . ?
P1_2 C1_2 C2_2 C3_2 176.9(4) . . . . ?
P1_2 C1_2 C6_2 C5_2 -176.4(4) . . . . ?
P1_2 C7_2 C8_2 C9_2 176.2(3) . . . . ?
P1_2 C7_2 C12_2 C11_2 -175.6(4) . . . . ?
P1_2 C13_2 C14_2 B1_2 179.4(3) . . . . ?
P1_2 C13_2 C14_2 C15_2 0.0(7) . . . . ?
Au1_2 P1_2 C7_2 C8_2 -10.5(4) . . . . ?
Au1_2 P1_2 C7_2 C12_2 165.0(3) . . . . ?
Au1_2 P1_2 C13_2 C14_2 53.5(4) . . . . ?
O1_2 B1_2 O2_2 C24_2 6.6(6) . . . . ?
O1_2 B1_2 C14_2 C13_2 27.0(7) . . . . ?
O1_2 B1_2 C14_2 C15_2 -153.6(5) . . . . ?
O1_2 C21_2 C24_2 O2_2 16.3(5) . . . . ?
O1_2 C21_2 C24_2 C25_2 132.9(5) . . . . ?
O1_2 C21_2 C24_2 C26_2 -99.3(5) . . . . ?
B1_2 O1_2 C21_2 C22_2 107.2(5) . . . . ?
B1_2 O1_2 C21_2 C23_2 -134.5(5) . . . . ?
B1_2 O1_2 C21_2 C24_2 -13.3(6) . . . . ?
B1_2 O2_2 C24_2 C21_2 -14.3(5) . . . . ?
B1_2 O2_2 C24_2 C25_2 -136.0(5) . . . . ?
B1_2 O2_2 C24_2 C26_2 107.0(5) . . . . ?
B1_2 C14_2 C15_2 C16_2 56.1(5) . . . . ?
B1_2 C14_2 C15_2 C20_2 -67.6(5) . . . . ?
C2_2 C1_2 P1_2 Au1_2 -173.6(3) . . . . ?
C2_2 C1_2 P1_2 C7_2 59.5(4) . . . . ?
C2_2 C1_2 P1_2 C13_2 -49.4(4) . . . . ?
C2_2 C1_2 C6_2 C5_2 -0.1(7) . . . . ?
C2_2 C3_2 C4_2 C5_2 0.4(8) . . . . ?
O2_2 B1_2 C14_2 C13_2 -154.1(5) . . . . ?
O2_2 B1_2 C14_2 C15_2 25.4(7) . . . . ?
C3_2 C4_2 C5_2 C6_2 0.1(8) . . . . ?
C4_2 C5_2 C6_2 C1_2 -0.3(7) . . . . ?
C6_2 C1_2 P1_2 Au1_2 2.7(4) . . . . ?
C6_2 C1_2 P1_2 C7_2 -124.2(4) . . . . ?
C6_2 C1_2 P1_2 C13_2 127.0(4) . . . . ?
C6_2 C1_2 C2_2 C3_2 0.6(7) . . . . ?
C7_2 P1_2 C13_2 C14_2 179.3(4) . . . . ?
C7_2 C8_2 C9_2 C10_2 -0.5(7) . . . . ?
C8_2 C7_2 C12_2 C11_2 0.0(7) . . . . ?
C8_2 C9_2 C10_2 C11_2 -0.1(7) . . . . ?
C9_2 C10_2 C11_2 C12_2 0.7(8) . . . . ?
C10_2 C11_2 C12_2 C7_2 -0.6(8) . . . . ?
C12_2 C7_2 C8_2 C9_2 0.6(6) . . . . ?
C13_2 P1_2 C7_2 C8_2 -135.5(4) . . . . ?
C13_2 P1_2 C7_2 C12_2 40.0(4) . . . . ?
C13_2 C14_2 C15_2 C16_2 -124.5(5) . . . . ?
C13_2 C14_2 C15_2 C20_2 111.8(5) . . . . ?
C14_2 B1_2 O2_2 C24_2 -172.3(4) . . . . ?
C14_2 C15_2 C16_2 C17_2 -179.2(4) . . . . ?
C14_2 C15_2 C20_2 C19_2 178.0(4) . . . . ?
C15_2 C16_2 C17_2 C18_2 56.5(5) . . . . ?
C16_2 C15_2 C20_2 C19_2 54.3(5) . . . . ?
C16_2 C17_2 C18_2 C19_2 -56.6(6) . . . . ?
C17_2 C18_2 C19_2 C20_2 56.0(5) . . . . ?
C18_2 C19_2 C20_2 C15_2 -55.0(5) . . . . ?
C20_2 C15_2 C16_2 C17_2 -55.0(5) . . . . ?
C21_2 O1_2 B1_2 O2_2 5.0(6) . . . . ?
C21_2 O1_2 B1_2 C14_2 -176.0(4) . . . . ?
C22_2 C21_2 C24_2 O2_2 -98.2(5) . . . . ?
C22_2 C21_2 C24_2 C25_2 18.4(6) . . . . ?
C22_2 C21_2 C24_2 C26_2 146.2(5) . . . . ?
C23_2 C21_2 C24_2 O2_2 133.0(5) . . . . ?
C23_2 C21_2 C24_2 C25_2 -110.4(5) . . . . ?
C23_2 C21_2 C24_2 C26_2 17.4(6) . . . . ?
P1_3 C7_3 C8_3 C9_3 179.3(4) . . . . ?
P1_3 C7_3 C12_3 C11_3 -178.5(4) . . . . ?
P1_3 C13_3 C14_3 B1_3 -180.0(3) . . . . ?
P1_3 C13_3 C14_3 C15_3 1.3(6) . . . . ?
O1_3 B1_3 O2_3 C22_3 -1.4(6) . . . . ?
O1_3 B1_3 C14_3 C13_3 18.8(7) . . . . ?
O1_3 B1_3 C14_3 C15_3 -162.4(4) . . . . ?
B1_3 O1_3 C21_3 C22_3 11.7(6) . . . . ?
B1_3 O1_3 C21_3 C23A_3 -95.7(6) . . . . ?
B1_3 O1_3 C21_3 C24A_3 153.4(7) . . . . ?
B1_3 O1_3 C21_3 C23B_3 -156.5(13) . . . . ?
B1_3 O1_3 C21_3 C24B_3 101.4(9) . . . . ?
B1_3 O2_3 C22_3 C25A_3 146.4(8) . . . . ?
B1_3 O2_3 C22_3 C26A_3 -99.5(6) . . . . ?
B1_3 O2_3 C22_3 C25B_3 103.4(11) . . . . ?
B1_3 O2_3 C22_3 C26B_3 -152.5(12) . . . . ?
B1_3 O2_3 C22_3 C21_3 8.6(6) . . . . ?
B1_3 C14_3 C15_3 C16_3 -69.5(5) . . . . ?
B1_3 C14_3 C15_3 C20_3 56.1(5) . . . . ?
Au1_3 P1_3 C7_3 C8_3 -168.9(3) . . . . ?
Au1_3 P1_3 C7_3 C12_3 9.7(4) . . . . ?
Au1_3 P1_3 C13_3 C14_3 57.7(4) . . . . ?
Au1_3 P1_3 C1_3 C2_3 -123.8(4) . . . . ?
Au1_3 P1_3 C1_3 C6_3 57.2(4) . . . . ?
C2_3 C3_3 C4_3 C5_3 -2.2(8) . . . . ?
O2_3 B1_3 C14_3 C13_3 -163.9(4) . . . . ?
O2_3 B1_3 C14_3 C15_3 14.9(7) . . . . ?
O2_3 C22_3 C21_3 O1_3 -12.3(7) . . . . ?
O2_3 C22_3 C21_3 C23A_3 92.6(6) . . . . ?
O2_3 C22_3 C21_3 C24A_3 -146.8(8) . . . . ?
O2_3 C22_3 C21_3 C23B_3 152.8(16) . . . . ?
O2_3 C22_3 C21_3 C24B_3 -107.0(8) . . . . ?
C3_3 C2_3 C1_3 P1_3 -177.3(4) . . . . ?
C3_3 C2_3 C1_3 C6_3 1.6(8) . . . . ?
C3_3 C4_3 C5_3 C6_3 1.9(9) . . . . ?
C4_3 C5_3 C6_3 C1_3 0.1(10) . . . . ?
C5_3 C6_3 C1_3 P1_3 177.1(5) . . . . ?
C5_3 C6_3 C1_3 C2_3 -1.9(9) . . . . ?
C7_3 P1_3 C13_3 C14_3 -66.6(4) . . . . ?
C7_3 P1_3 C1_3 C2_3 0.5(4) . . . . ?
C7_3 P1_3 C1_3 C6_3 -178.4(4) . . . . ?
C7_3 C8_3 C9_3 C10_3 -1.5(7) . . . . ?
C8_3 C7_3 C12_3 C11_3 0.1(7) . . . . ?
C8_3 C9_3 C10_3 C11_3 1.5(7) . . . . ?
C9_3 C10_3 C11_3 C12_3 -0.7(8) . . . . ?
C10_3 C11_3 C12_3 C7_3 -0.1(7) . . . . ?
C12_3 C7_3 C8_3 C9_3 0.7(7) . . . . ?
C13_3 P1_3 C7_3 C8_3 -43.8(4) . . . . ?
C13_3 P1_3 C7_3 C12_3 134.7(4) . . . . ?
C13_3 P1_3 C1_3 C2_3 112.8(4) . . . . ?
C13_3 P1_3 C1_3 C6_3 -66.2(4) . . . . ?
C13_3 C14_3 C15_3 C16_3 109.2(5) . . . . ?
C13_3 C14_3 C15_3 C20_3 -125.2(5) . . . . ?
C14_3 B1_3 O2_3 C22_3 -178.9(4) . . . . ?
C14_3 C15_3 C16_3 C17_3 179.8(4) . . . . ?
C14_3 C15_3 C20_3 C19_3 -179.7(4) . . . . ?
C15_3 C16_3 C17_3 C18_3 -55.0(5) . . . . ?
C16_3 C15_3 C20_3 C19_3 -54.1(5) . . . . ?
C16_3 C17_3 C18_3 C19_3 56.8(6) . . . . ?
C17_3 C18_3 C19_3 C20_3 -57.0(6) . . . . ?
C18_3 C19_3 C20_3 C15_3 55.7(5) . . . . ?
C20_3 C15_3 C16_3 C17_3 53.9(5) . . . . ?
C25A_3 C22_3 C21_3 O1_3 -144.4(7) . . . . ?
C25A_3 C22_3 C21_3 C23A_3 -39.4(9) . . . . ?
C25A_3 C22_3 C21_3 C24A_3 81.2(12) . . . . ?
C26A_3 C22_3 C21_3 O1_3 93.1(6) . . . . ?
C26A_3 C22_3 C21_3 C23A_3 -161.9(6) . . . . ?
C26A_3 C22_3 C21_3 C24A_3 -41.4(10) . . . . ?
C25B_3 C22_3 C21_3 O1_3 -108.3(9) . . . . ?
C25B_3 C22_3 C21_3 C23B_3 56.8(19) . . . . ?
C25B_3 C22_3 C21_3 C24B_3 157.1(11) . . . . ?
C26B_3 C22_3 C21_3 O1_3 142.1(15) . . . . ?
C26B_3 C22_3 C21_3 C23B_3 -53(2) . . . . ?
C26B_3 C22_3 C21_3 C24B_3 47.5(17) . . . . ?
C21_3 O1_3 B1_3 O2_3 -6.8(6) . . . . ?
C21_3 O1_3 B1_3 C14_3 170.8(5) . . . . ?
C1_3 P1_3 C7_3 C8_3 65.6(4) . . . . ?
C1_3 P1_3 C7_3 C12_3 -115.9(4) . . . . ?
C1_3 P1_3 C13_3 C14_3 -178.4(4) . . . . ?
C1_3 C2_3 C3_3 C4_3 0.4(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_70925a
_database_code_depnum_ccdc_archive 'CCDC 1819027'
_audit_update_record             
;
2018-03-26 deposited with the CCDC.
2018-04-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H28 B O2 P'
_chemical_formula_weight         414.26

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'
B B 0.0013 0.0007 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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. 
;

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                   11.420(14)
_cell_length_b                   7.124(10)
_cell_length_c                   29.97(3)
_cell_angle_alpha                90
_cell_angle_beta                 94.83(3)
_cell_angle_gamma                90
_cell_volume                     2429(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    443
_cell_measurement_theta_min      3.72
_cell_measurement_theta_max      23.90

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.133
_exptl_crystal_F_000             880
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.700
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.320
_exptl_absorpt_coefficient_mu    0.131
_shelx_estimated_absorpt_T_min   0.914
_shelx_estimated_absorpt_T_max   0.959
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.758
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15680
_diffrn_reflns_av_unetI/netI     0.0405
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         1.364
_diffrn_reflns_theta_max         27.960
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             5759
_reflns_number_gt                4073
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1100P)²+0.4177P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5759
_refine_ls_number_parameters     352
_refine_ls_number_restraints     187
_refine_ls_R_factor_all          0.0867
_refine_ls_R_factor_gt           0.0590
_refine_ls_wR_factor_ref         0.1970
_refine_ls_wR_factor_gt          0.1706
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
P1 P 0.78057(5) 0.37136(8) 0.07649(2) 0.04779(19) Uani 1 1 d . . . . .
B1 B 0.57840(19) 0.2872(4) 0.18847(7) 0.0432(5) Uani 1 1 d . . . . .
C1 C 0.61798(17) 0.3560(3) 0.14216(6) 0.0415(4) Uani 1 1 d . . . . .
C2 C 0.71746(18) 0.2883(3) 0.12704(7) 0.0470(5) Uani 1 1 d . . . . .
H2 H 0.7567 0.1929 0.1434 0.056 Uiso 1 1 calc R U . . .
O1 O 0.6196(5) 0.1301(7) 0.20867(16) 0.0680(14) Uani 0.724(7) 1 d . U P A 1
O2 O 0.4993(5) 0.3867(6) 0.21115(15) 0.0701(12) Uani 0.724(7) 1 d . U P A 1
C3 C 0.5817(4) 0.1456(7) 0.25650(15) 0.0556(12) Uani 0.724(7) 1 d . U P A 1
C4 C 0.4662(5) 0.2590(10) 0.2484(2) 0.0645(15) Uani 0.724(7) 1 d . U P A 1
C5 C 0.6760(4) 0.2130(10) 0.28816(15) 0.0984(19) Uani 0.724(7) 1 d . U P A 1
H5A H 0.7453 0.1390 0.2854 0.148 Uiso 0.724(7) 1 calc R U P A 1
H5B H 0.6526 0.2024 0.3181 0.148 Uiso 0.724(7) 1 calc R U P A 1
H5C H 0.6924 0.3420 0.2819 0.148 Uiso 0.724(7) 1 calc R U P A 1
C6 C 0.5550(6) -0.0648(7) 0.2667(2) 0.0895(17) Uani 0.724(7) 1 d . U P A 1
H6A H 0.6273 -0.1344 0.2697 0.134 Uiso 0.724(7) 1 calc R U P A 1
H6B H 0.5043 -0.1162 0.2426 0.134 Uiso 0.724(7) 1 calc R U P A 1
H6C H 0.5172 -0.0730 0.2940 0.134 Uiso 0.724(7) 1 calc R U P A 1
C7 C 0.4545(7) 0.4035(8) 0.28664(18) 0.1022(19) Uani 0.724(7) 1 d . U P A 1
H7A H 0.5258 0.4750 0.2912 0.153 Uiso 0.724(7) 1 calc R U P A 1
H7B H 0.4407 0.3383 0.3137 0.153 Uiso 0.724(7) 1 calc R U P A 1
H7C H 0.3900 0.4864 0.2785 0.153 Uiso 0.724(7) 1 calc R U P A 1
C8 C 0.3557(4) 0.1643(11) 0.2375(3) 0.118(3) Uani 0.724(7) 1 d . U P A 1
H8A H 0.2983 0.2531 0.2254 0.177 Uiso 0.724(7) 1 calc R U P A 1
H8B H 0.3293 0.1087 0.2641 0.177 Uiso 0.724(7) 1 calc R U P A 1
H8C H 0.3660 0.0680 0.2157 0.177 Uiso 0.724(7) 1 calc R U P A 1
O1' O 0.6400(10) 0.1878(19) 0.2194(4) 0.061(3) Uani 0.276(7) 1 d D U P A 2
O2' O 0.4711(10) 0.3113(18) 0.2023(4) 0.072(3) Uani 0.276(7) 1 d D U P A 2
C3' C 0.5449(12) 0.0998(19) 0.2466(4) 0.069(3) Uani 0.276(7) 1 d D U P A 2
C4' C 0.4990(13) 0.290(2) 0.2528(5) 0.069(4) Uani 0.276(7) 1 d D U P A 2
C5' C 0.6211(15) 0.022(4) 0.2850(6) 0.132(9) Uani 0.276(7) 1 d D U P A 2
H5'1 H 0.6461 0.1211 0.3052 0.198 Uiso 0.276(7) 1 calc R U P A 2
H5'2 H 0.6886 -0.0375 0.2741 0.198 Uiso 0.276(7) 1 calc R U P A 2
H5'3 H 0.5775 -0.0694 0.3005 0.198 Uiso 0.276(7) 1 calc R U P A 2
C6' C 0.437(2) -0.037(3) 0.2314(6) 0.160(10) Uani 0.276(7) 1 d D U P A 2
H6'1 H 0.3930 -0.0620 0.2566 0.241 Uiso 0.276(7) 1 calc R U P A 2
H6'2 H 0.4673 -0.1528 0.2206 0.241 Uiso 0.276(7) 1 calc R U P A 2
H6'3 H 0.3877 0.0219 0.2081 0.241 Uiso 0.276(7) 1 calc R U P A 2
C7' C 0.588(2) 0.394(3) 0.2873(6) 0.170(11) Uani 0.276(7) 1 d D U P A 2
H7'1 H 0.5751 0.3546 0.3171 0.255 Uiso 0.276(7) 1 calc R U P A 2
H7'2 H 0.5767 0.5270 0.2847 0.255 Uiso 0.276(7) 1 calc R U P A 2
H7'3 H 0.6671 0.3632 0.2812 0.255 Uiso 0.276(7) 1 calc R U P A 2
C8' C 0.3720(16) 0.293(3) 0.2695(6) 0.130(8) Uani 0.276(7) 1 d D U P A 2
H8'1 H 0.3147 0.2857 0.2442 0.195 Uiso 0.276(7) 1 calc R U P A 2
H8'2 H 0.3610 0.4066 0.2857 0.195 Uiso 0.276(7) 1 calc R U P A 2
H8'3 H 0.3628 0.1869 0.2887 0.195 Uiso 0.276(7) 1 calc R U P A 2
C9 C 0.54354(15) 0.4992(3) 0.11668(6) 0.0422(4) Uani 1 1 d . . . . .
C10 C 0.49012(19) 0.4597(4) 0.07470(7) 0.0550(5) Uani 1 1 d . . . . .
H10 H 0.4994 0.3416 0.0622 0.066 Uiso 1 1 calc R U . . .
C11 C 0.4226(2) 0.5943(4) 0.05084(9) 0.0712(7) Uani 1 1 d . . . . .
H11 H 0.3877 0.5661 0.0225 0.085 Uiso 1 1 calc R U . . .
C12 C 0.4075(2) 0.7678(5) 0.06889(10) 0.0759(8) Uani 1 1 d . . . . .
H12 H 0.3627 0.8577 0.0528 0.091 Uiso 1 1 calc R U . . .
C13 C 0.4586(2) 0.8095(4) 0.11096(10) 0.0721(7) Uani 1 1 d . . . . .
H13 H 0.4485 0.9277 0.1233 0.086 Uiso 1 1 calc R U . . .
C14 C 0.5250(2) 0.6751(4) 0.13487(8) 0.0601(6) Uani 1 1 d . . . . .
H14 H 0.5577 0.7028 0.1636 0.072 Uiso 1 1 calc R U . . .
C15 C 0.9371(2) 0.3879(3) 0.09679(7) 0.0517(5) Uani 1 1 d . . . . .
C16 C 1.0032(2) 0.2390(4) 0.11571(8) 0.0608(6) Uani 1 1 d . . . . .
H16 H 0.9678 0.1227 0.1189 0.073 Uiso 1 1 calc R U . . .
C17 C 1.1211(2) 0.2627(6) 0.12980(9) 0.0796(9) Uani 1 1 d . . . . .
H17 H 1.1646 0.1622 0.1421 0.096 Uiso 1 1 calc R U . . .
C18 C 1.1744(3) 0.4357(7) 0.12551(10) 0.0928(11) Uani 1 1 d . . . . .
H18 H 1.2533 0.4511 0.1352 0.111 Uiso 1 1 calc R U . . .
C19 C 1.1119(3) 0.5828(6) 0.10724(12) 0.0940(11) Uani 1 1 d . . . . .
H19 H 1.1482 0.6985 0.1044 0.113 Uiso 1 1 calc R U . . .
C20 C 0.9928(3) 0.5613(5) 0.09258(10) 0.0753(8) Uani 1 1 d . . . . .
H20 H 0.9506 0.6627 0.0800 0.090 Uiso 1 1 calc R U . . .
C21 C 0.78224(17) 0.1540(3) 0.04406(7) 0.0450(5) Uani 1 1 d . . . . .
C22 C 0.85342(19) 0.1450(4) 0.00849(8) 0.0601(6) Uani 1 1 d . . . . .
H22 H 0.9019 0.2458 0.0030 0.072 Uiso 1 1 calc R U . . .
C23 C 0.8528(2) -0.0122(5) -0.01882(9) 0.0715(8) Uani 1 1 d . . . . .
H23 H 0.9022 -0.0167 -0.0419 0.086 Uiso 1 1 calc R U . . .
C24 C 0.7799(3) -0.1619(4) -0.01214(10) 0.0766(8) Uani 1 1 d . . . . .
H24 H 0.7800 -0.2671 -0.0305 0.092 Uiso 1 1 calc R U . . .
C25 C 0.7073(3) -0.1537(4) 0.02187(11) 0.0835(9) Uani 1 1 d . . . . .
H25 H 0.6566 -0.2529 0.0262 0.100 Uiso 1 1 calc R U . . .
C26 C 0.7087(2) 0.0020(4) 0.05016(9) 0.0657(7) Uani 1 1 d . . . . .
H26 H 0.6598 0.0042 0.0734 0.079 Uiso 1 1 calc R U . . .


_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
P1 C21 1.829(3) . ?
P1 C2 1.830(2) . ?
P1 C15 1.843(3) . ?
B1 O1' 1.321(12) . ?
B1 O2' 1.338(11) . ?
B1 O1 1.339(6) . ?
B1 O2 1.372(5) . ?
B1 C1 1.574(3) . ?
C1 C2 1.348(3) . ?
C1 C9 1.495(3) . ?
O1 C3 1.536(7) . ?
O2 C4 1.514(7) . ?
C3 C5 1.456(7) . ?
C3 C4 1.548(7) . ?
C3 C6 1.565(7) . ?
C4 C8 1.445(8) . ?
C4 C7 1.553(9) . ?
O1' C3' 1.545(15) . ?
O2' C4' 1.525(16) . ?
C3' C4' 1.472(17) . ?
C3' C5' 1.492(15) . ?
C3' C6' 1.602(15) . ?
C4' C8' 1.573(15) . ?
C4' C7' 1.574(16) . ?
C9 C10 1.380(3) . ?
C9 C14 1.390(4) . ?
C10 C11 1.390(4) . ?
C11 C12 1.366(5) . ?
C12 C13 1.376(4) . ?
C13 C14 1.384(4) . ?
C15 C16 1.394(4) . ?
C15 C20 1.400(4) . ?
C16 C17 1.388(4) . ?
C17 C18 1.385(5) . ?
C18 C19 1.358(5) . ?
C19 C20 1.402(5) . ?
C21 C26 1.392(3) . ?
C21 C22 1.395(3) . ?
C22 C23 1.387(4) . ?
C23 C24 1.378(5) . ?
C24 C25 1.368(5) . ?
C25 C26 1.395(4) . ?

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
C21 P1 C2 100.86(12) . . ?
C21 P1 C15 100.15(10) . . ?
C2 P1 C15 100.73(11) . . ?
O1' B1 O2' 107.4(7) . . ?
O1 B1 O2 115.4(3) . . ?
O1' B1 C1 127.6(5) . . ?
O2' B1 C1 124.9(5) . . ?
O1 B1 C1 122.9(3) . . ?
O2 B1 C1 121.7(3) . . ?
C2 C1 C9 122.12(18) . . ?
C2 C1 B1 119.86(18) . . ?
C9 C1 B1 118.01(17) . . ?
C1 C2 P1 124.37(16) . . ?
B1 O1 C3 104.2(4) . . ?
B1 O2 C4 105.7(4) . . ?
C5 C3 O1 112.4(4) . . ?
C5 C3 C4 120.2(5) . . ?
O1 C3 C4 101.3(4) . . ?
C5 C3 C6 109.5(5) . . ?
O1 C3 C6 100.8(4) . . ?
C4 C3 C6 110.7(5) . . ?
C8 C4 O2 112.4(5) . . ?
C8 C4 C3 120.5(6) . . ?
O2 C4 C3 99.6(4) . . ?
C8 C4 C7 110.5(6) . . ?
O2 C4 C7 100.8(5) . . ?
C3 C4 C7 110.8(5) . . ?
B1 O1' C3' 103.3(9) . . ?
B1 O2' C4' 100.1(9) . . ?
C4' C3' C5' 116.0(15) . . ?
C4' C3' O1' 88.1(11) . . ?
C5' C3' O1' 99.7(11) . . ?
C4' C3' C6' 108.9(13) . . ?
C5' C3' C6' 112.0(16) . . ?
O1' C3' C6' 130.7(12) . . ?
C3' C4' O2' 90.8(11) . . ?
C3' C4' C8' 113.4(14) . . ?
O2' C4' C8' 101.1(12) . . ?
C3' C4' C7' 107.3(14) . . ?
O2' C4' C7' 132.5(14) . . ?
C8' C4' C7' 110.4(15) . . ?
C10 C9 C14 118.1(2) . . ?
C10 C9 C1 121.0(2) . . ?
C14 C9 C1 120.90(19) . . ?
C9 C10 C11 120.8(3) . . ?
C12 C11 C10 120.2(3) . . ?
C11 C12 C13 120.0(2) . . ?
C12 C13 C14 119.8(3) . . ?
C13 C14 C9 121.1(2) . . ?
C16 C15 C20 118.3(3) . . ?
C16 C15 P1 124.20(19) . . ?
C20 C15 P1 117.5(2) . . ?
C17 C16 C15 120.6(3) . . ?
C18 C17 C16 120.2(3) . . ?
C19 C18 C17 120.3(3) . . ?
C18 C19 C20 120.3(3) . . ?
C15 C20 C19 120.2(3) . . ?
C26 C21 C22 117.5(2) . . ?
C26 C21 P1 123.75(18) . . ?
C22 C21 P1 118.51(18) . . ?
C23 C22 C21 120.9(3) . . ?
C24 C23 C22 120.8(3) . . ?
C25 C24 C23 119.1(3) . . ?
C24 C25 C26 120.7(3) . . ?
C21 C26 C25 121.0(2) . . ?

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
O1' B1 C1 C2 11.2(8) . . . . ?
O2' B1 C1 C2 -164.7(8) . . . . ?
O1 B1 C1 C2 -18.2(4) . . . . ?
O2 B1 C1 C2 161.2(3) . . . . ?
O1' B1 C1 C9 -167.7(8) . . . . ?
O2' B1 C1 C9 16.5(8) . . . . ?
O1 B1 C1 C9 163.0(3) . . . . ?
O2 B1 C1 C9 -17.6(4) . . . . ?
C9 C1 C2 P1 4.6(3) . . . . ?
B1 C1 C2 P1 -174.22(16) . . . . ?
C21 P1 C2 C1 -121.4(2) . . . . ?
C15 P1 C2 C1 135.9(2) . . . . ?
O2 B1 O1 C3 -12.9(5) . . . . ?
C1 B1 O1 C3 166.6(3) . . . . ?
O1 B1 O2 C4 -11.4(5) . . . . ?
C1 B1 O2 C4 169.2(3) . . . . ?
B1 O1 C3 C5 -98.8(5) . . . . ?
B1 O1 C3 C4 30.7(6) . . . . ?
B1 O1 C3 C6 144.6(4) . . . . ?
B1 O2 C4 C8 -99.2(6) . . . . ?
B1 O2 C4 C3 29.6(6) . . . . ?
B1 O2 C4 C7 143.2(4) . . . . ?
C5 C3 C4 C8 -148.0(6) . . . . ?
O1 C3 C4 C8 87.6(7) . . . . ?
C6 C3 C4 C8 -18.7(8) . . . . ?
C5 C3 C4 O2 88.8(6) . . . . ?
O1 C3 C4 O2 -35.6(6) . . . . ?
C6 C3 C4 O2 -141.9(5) . . . . ?
C5 C3 C4 C7 -16.8(7) . . . . ?
O1 C3 C4 C7 -141.2(5) . . . . ?
C6 C3 C4 C7 112.6(6) . . . . ?
O2' B1 O1' C3' 17.8(11) . . . . ?
C1 B1 O1' C3' -158.6(6) . . . . ?
O1' B1 O2' C4' 24.6(11) . . . . ?
C1 B1 O2' C4' -158.8(7) . . . . ?
B1 O1' C3' C4' -53.9(12) . . . . ?
B1 O1' C3' C5' -170.0(13) . . . . ?
B1 O1' C3' C6' 60(2) . . . . ?
C5' C3' C4' O2' 162.1(12) . . . . ?
O1' C3' C4' O2' 62.3(11) . . . . ?
C6' C3' C4' O2' -70.5(13) . . . . ?
C5' C3' C4' C8' -95.4(16) . . . . ?
O1' C3' C4' C8' 164.8(13) . . . . ?
C6' C3' C4' C8' 32.0(18) . . . . ?
C5' C3' C4' C7' 26.8(18) . . . . ?
O1' C3' C4' C7' -73.1(13) . . . . ?
C6' C3' C4' C7' 154.2(12) . . . . ?
B1 O2' C4' C3' -59.1(12) . . . . ?
B1 O2' C4' C8' -173.2(12) . . . . ?
B1 O2' C4' C7' 55(2) . . . . ?
C2 C1 C9 C10 62.7(3) . . . . ?
B1 C1 C9 C10 -118.5(2) . . . . ?
C2 C1 C9 C14 -118.1(2) . . . . ?
B1 C1 C9 C14 60.7(3) . . . . ?
C14 C9 C10 C11 1.9(3) . . . . ?
C1 C9 C10 C11 -178.9(2) . . . . ?
C9 C10 C11 C12 -0.5(4) . . . . ?
C10 C11 C12 C13 -0.4(4) . . . . ?
C11 C12 C13 C14 -0.1(4) . . . . ?
C12 C13 C14 C9 1.6(4) . . . . ?
C10 C9 C14 C13 -2.4(3) . . . . ?
C1 C9 C14 C13 178.4(2) . . . . ?
C21 P1 C15 C16 -46.9(2) . . . . ?
C2 P1 C15 C16 56.3(2) . . . . ?
C21 P1 C15 C20 132.8(2) . . . . ?
C2 P1 C15 C20 -124.01(19) . . . . ?
C20 C15 C16 C17 -0.3(3) . . . . ?
P1 C15 C16 C17 179.38(19) . . . . ?
C15 C16 C17 C18 0.6(4) . . . . ?
C16 C17 C18 C19 -0.5(5) . . . . ?
C17 C18 C19 C20 0.1(5) . . . . ?
C16 C15 C20 C19 -0.1(4) . . . . ?
P1 C15 C20 C19 -179.8(2) . . . . ?
C18 C19 C20 C15 0.2(5) . . . . ?
C2 P1 C21 C26 23.5(2) . . . . ?
C15 P1 C21 C26 126.6(2) . . . . ?
C2 P1 C21 C22 -162.52(17) . . . . ?
C15 P1 C21 C22 -59.40(19) . . . . ?
C26 C21 C22 C23 -1.8(3) . . . . ?
P1 C21 C22 C23 -176.18(18) . . . . ?
C21 C22 C23 C24 1.5(4) . . . . ?
C22 C23 C24 C25 0.2(4) . . . . ?
C23 C24 C25 C26 -1.5(5) . . . . ?
C22 C21 C26 C25 0.5(4) . . . . ?
P1 C21 C26 C25 174.6(2) . . . . ?
C24 C25 C26 C21 1.1(5) . . . . ?

_refine_diff_density_max         0.320
_refine_diff_density_min         -0.203
_refine_diff_density_rms         0.054

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_d8v17194_0m
_database_code_depnum_ccdc_archive 'CCDC 1819028'
_audit_update_record             
;
2018-03-26 deposited with the CCDC.
2018-04-19 downloaded from the CCDC.
;
_audit_creation_date             2017-07-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2014/8
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H28 Au B Cl O2 P, C3.5 H4'
_chemical_formula_sum            'C29.50 H32 Au B Cl O2 P'
_chemical_formula_weight         692.75
_chemical_melting_point          ?
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'
B B 0.0013 0.0007 '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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.7594(6)
_cell_length_b                   10.0335(4)
_cell_length_c                   20.6008(9)
_cell_angle_alpha                90
_cell_angle_beta                 91.4010(10)
_cell_angle_gamma                90
_cell_volume                     2843.2(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9939
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.500
_cell_measurement_theta_min      2.442
_shelx_estimated_absorpt_T_max   0.740
_shelx_estimated_absorpt_T_min   0.501
_exptl_absorpt_coefficient_mu    5.349
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.2896
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1345 before and 0.0648 after correction. The Ratio of minimum to maximum transmission is 0.3882. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1364
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0570
_diffrn_reflns_av_unetI/netI     0.0520
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            37241
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.523
_diffrn_reflns_theta_min         2.258
_diffrn_ambient_temperature      172.98
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6983
_reflns_number_total             8589
_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       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'Bruker D8 Venture'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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         1.667
_refine_diff_density_min         -1.789
_refine_diff_density_rms         0.167
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         8589
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0478
_refine_ls_restrained_S_all      1.158
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+12.6506P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0799
_refine_ls_wR_factor_ref         0.0853
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O2) \\sim Ueq, Uanis(O1) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
3. Others
 Fixed Sof: H29(0.5) C30(0.5) H30A(0.5) H30B(0.5) H30C(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C27(H27),
  C28(H28), C29(H29)
4.b Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C26(H26A,H26B,
 H26C), C30(H30A,H30B,H30C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Au1 Au 0.72387(2) 0.78893(2) 0.65129(2) 0.02462(5) Uani 1 1 d . . . . .
Cl1 Cl 0.82043(9) 0.92560(14) 0.71448(7) 0.0386(3) Uani 1 1 d . . . . .
P1 P 0.63103(8) 0.66909(12) 0.58287(6) 0.0224(2) Uani 1 1 d . . . . .
O1 O 0.8027(3) 0.4303(6) 0.6415(2) 0.0727(14) Uani 1 1 d . U . . .
O2 O 0.7499(3) 0.4447(6) 0.7403(2) 0.0686(14) Uani 1 1 d . U . . .
C1 C 0.5784(3) 0.5160(5) 0.6105(2) 0.0259(10) Uani 1 1 d . . . . .
H1 H 0.5148 0.4961 0.5942 0.031 Uiso 1 1 calc R . . . .
C2 C 0.6183(3) 0.4266(5) 0.6515(2) 0.0229(9) Uani 1 1 d . . . . .
C3 C 0.5625(3) 0.3091(4) 0.6733(2) 0.0230(9) Uani 1 1 d . . . . .
C4 C 0.6106(4) 0.1924(5) 0.6913(2) 0.0306(10) Uani 1 1 d . . . . .
H4 H 0.6796 0.1894 0.6905 0.037 Uiso 1 1 calc R . . . .
C5 C 0.5597(4) 0.0806(5) 0.7104(3) 0.0379(12) Uani 1 1 d . . . . .
H5 H 0.5937 0.0014 0.7221 0.046 Uiso 1 1 calc R . . . .
C6 C 0.4599(4) 0.0842(5) 0.7122(3) 0.0384(13) Uani 1 1 d . . . . .
H6 H 0.4248 0.0074 0.7250 0.046 Uiso 1 1 calc R . . . .
C7 C 0.4109(4) 0.1994(5) 0.6956(2) 0.0343(11) Uani 1 1 d . . . . .
H7 H 0.3420 0.2017 0.6974 0.041 Uiso 1 1 calc R . . . .
C8 C 0.4610(3) 0.3118(5) 0.6763(2) 0.0271(10) Uani 1 1 d . . . . .
H8 H 0.4264 0.3908 0.6650 0.033 Uiso 1 1 calc R . . . .
C9 C 0.5222(3) 0.7621(4) 0.5599(2) 0.0246(9) Uani 1 1 d . . . . .
C10 C 0.4598(4) 0.7967(6) 0.6088(3) 0.0397(12) Uani 1 1 d . . . . .
H10 H 0.4758 0.7739 0.6526 0.048 Uiso 1 1 calc R . . . .
C11 C 0.3744(4) 0.8642(7) 0.5946(3) 0.0516(16) Uani 1 1 d . . . . .
H11 H 0.3317 0.8871 0.6284 0.062 Uiso 1 1 calc R . . . .
C12 C 0.3515(4) 0.8980(6) 0.5318(3) 0.0498(16) Uani 1 1 d . . . . .
H12 H 0.2924 0.9437 0.5222 0.060 Uiso 1 1 calc R . . . .
C13 C 0.4125(5) 0.8669(6) 0.4828(3) 0.0481(15) Uani 1 1 d . . . . .
H13 H 0.3962 0.8925 0.4395 0.058 Uiso 1 1 calc R . . . .
C14 C 0.4986(4) 0.7975(5) 0.4962(3) 0.0348(11) Uani 1 1 d . . . . .
H14 H 0.5408 0.7748 0.4621 0.042 Uiso 1 1 calc R . . . .
C15 C 0.6937(3) 0.6317(5) 0.5088(2) 0.0246(9) Uani 1 1 d . . . . .
C16 C 0.7584(4) 0.7250(5) 0.4855(3) 0.0363(12) Uani 1 1 d . . . . .
H16 H 0.7694 0.8058 0.5086 0.044 Uiso 1 1 calc R . . . .
C17 C 0.8072(4) 0.7011(7) 0.4286(3) 0.0493(15) Uani 1 1 d . . . . .
H17 H 0.8517 0.7651 0.4129 0.059 Uiso 1 1 calc R . . . .
C18 C 0.7912(4) 0.5845(7) 0.3950(3) 0.0497(16) Uani 1 1 d . . . . .
H18 H 0.8236 0.5690 0.3555 0.060 Uiso 1 1 calc R . . . .
C19 C 0.7284(4) 0.4905(7) 0.4182(3) 0.0478(15) Uani 1 1 d . . . . .
H19 H 0.7186 0.4096 0.3951 0.057 Uiso 1 1 calc R . . . .
C20 C 0.6793(4) 0.5124(5) 0.4750(3) 0.0338(11) Uani 1 1 d . . . . .
H20 H 0.6362 0.4468 0.4909 0.041 Uiso 1 1 calc R . . . .
C21 C 0.8919(3) 0.4339(6) 0.6804(3) 0.0377(12) Uani 1 1 d . . . . .
C22 C 0.8542(3) 0.4342(5) 0.7509(3) 0.0357(12) Uani 1 1 d . . . . .
C23 C 0.8849(7) 0.5512(7) 0.7912(4) 0.086(3) Uani 1 1 d . . . . .
H23A H 0.8674 0.6337 0.7683 0.129 Uiso 1 1 calc GR . . . .
H23B H 0.9555 0.5484 0.7989 0.129 Uiso 1 1 calc GR . . . .
H23C H 0.8521 0.5484 0.8329 0.129 Uiso 1 1 calc GR . . . .
C24 C 0.8745(7) 0.3104(7) 0.7891(4) 0.080(3) Uani 1 1 d . . . . .
H24A H 0.8437 0.3169 0.8313 0.120 Uiso 1 1 calc GR . . . .
H24B H 0.9449 0.2999 0.7955 0.120 Uiso 1 1 calc GR . . . .
H24C H 0.8483 0.2332 0.7653 0.120 Uiso 1 1 calc GR . . . .
C25 C 0.9491(5) 0.3123(7) 0.6629(4) 0.072(2) Uani 1 1 d . . . . .
H25A H 0.9115 0.2322 0.6729 0.108 Uiso 1 1 calc GR . . . .
H25B H 1.0106 0.3112 0.6880 0.108 Uiso 1 1 calc GR . . . .
H25C H 0.9626 0.3140 0.6164 0.108 Uiso 1 1 calc GR . . . .
C26 C 0.9482(5) 0.5542(7) 0.6612(5) 0.085(3) Uani 1 1 d . . . . .
H26A H 0.9615 0.5498 0.6148 0.127 Uiso 1 1 calc GR . . . .
H26B H 1.0097 0.5573 0.6862 0.127 Uiso 1 1 calc GR . . . .
H26C H 0.9102 0.6345 0.6701 0.127 Uiso 1 1 calc GR . . . .
B1 B 0.7267(4) 0.4368(5) 0.6786(3) 0.0235(10) Uani 1 1 d . . . . .
C27 C 0.9269(6) 0.0349(9) 0.5413(4) 0.065(2) Uani 1 1 d . . . . .
H27 H 0.8765 0.0586 0.5698 0.078 Uiso 1 1 calc R . . . .
C28 C 0.9743(6) -0.0843(9) 0.5490(4) 0.066(2) Uani 1 1 d . . . . .
H28 H 0.9562 -0.1424 0.5831 0.079 Uiso 1 1 calc R . . . .
C29 C 1.0474(6) -0.1220(8) 0.5085(4) 0.066(2) Uani 1 1 d . . . . .
H29 H 1.0796 -0.2050 0.5142 0.079 Uiso 0.5 1 calc R . P A 2
C30 C 1.0981(14) -0.2548(18) 0.5157(9) 0.086(5) Uani 0.5 1 d . . P B 1
H30A H 1.1347 -0.2735 0.4765 0.129 Uiso 0.5 1 calc GR . P B 1
H30B H 1.0496 -0.3250 0.5219 0.129 Uiso 0.5 1 calc GR . P B 1
H30C H 1.1428 -0.2521 0.5535 0.129 Uiso 0.5 1 calc GR . P B 1


_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 Cl1 2.2925(12) . ?
Au1 P1 2.2308(12) . ?
P1 C1 1.797(5) . ?
P1 C9 1.818(5) . ?
P1 C15 1.810(5) . ?
O1 C21 1.451(6) . ?
O1 B1 1.312(7) . ?
O2 C22 1.449(6) . ?
O2 B1 1.307(7) . ?
C1 H1 0.9500 . ?
C1 C2 1.340(6) . ?
C2 C3 1.483(6) . ?
C2 B1 1.583(6) . ?
C3 C4 1.390(6) . ?
C3 C8 1.400(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.385(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.375(8) . ?
C6 H6 0.9500 . ?
C6 C7 1.376(8) . ?
C7 H7 0.9500 . ?
C7 C8 1.385(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.385(7) . ?
C9 C14 1.390(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.381(8) . ?
C11 H11 0.9500 . ?
C11 C12 1.367(9) . ?
C12 H12 0.9500 . ?
C12 C13 1.364(9) . ?
C13 H13 0.9500 . ?
C13 C14 1.396(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.386(7) . ?
C15 C20 1.397(7) . ?
C16 H16 0.9500 . ?
C16 C17 1.385(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.375(9) . ?
C18 H18 0.9500 . ?
C18 C19 1.373(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.382(8) . ?
C20 H20 0.9500 . ?
C21 C22 1.554(8) . ?
C21 C25 1.500(8) . ?
C21 C26 1.493(8) . ?
C22 C23 1.493(8) . ?
C22 C24 1.492(9) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27 0.9500 . ?
C27 C28 1.370(11) . ?
C27 C29 1.400(10) 3_756 ?
C28 H28 0.9500 . ?
C28 C29 1.376(11) . ?
C29 C27 1.400(10) 3_756 ?
C29 H29 0.9500 . ?
C29 C30 1.510(19) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 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
P1 Au1 Cl1 174.98(5) . . ?
C1 P1 Au1 119.30(16) . . ?
C1 P1 C9 100.7(2) . . ?
C1 P1 C15 107.1(2) . . ?
C9 P1 Au1 110.08(15) . . ?
C15 P1 Au1 111.52(15) . . ?
C15 P1 C9 107.1(2) . . ?
B1 O1 C21 110.6(5) . . ?
B1 O2 C22 111.1(4) . . ?
P1 C1 H1 116.2 . . ?
C2 C1 P1 127.6(3) . . ?
C2 C1 H1 116.2 . . ?
C1 C2 C3 121.0(4) . . ?
C1 C2 B1 123.2(4) . . ?
C3 C2 B1 115.8(4) . . ?
C4 C3 C2 120.3(4) . . ?
C4 C3 C8 118.3(4) . . ?
C8 C3 C2 121.5(4) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 C3 121.1(5) . . ?
C5 C4 H4 119.4 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 119.9(5) . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C5 C6 C7 119.9(5) . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 119.6 . . ?
C6 C7 C8 120.7(5) . . ?
C8 C7 H7 119.6 . . ?
C3 C8 H8 120.0 . . ?
C7 C8 C3 120.0(5) . . ?
C7 C8 H8 120.0 . . ?
C10 C9 P1 117.4(4) . . ?
C10 C9 C14 119.3(5) . . ?
C14 C9 P1 123.3(4) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.5(5) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 120.1 . . ?
C12 C11 C10 119.8(6) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 119.6 . . ?
C13 C12 C11 120.8(5) . . ?
C13 C12 H12 119.6 . . ?
C12 C13 H13 119.9 . . ?
C12 C13 C14 120.2(6) . . ?
C14 C13 H13 119.9 . . ?
C9 C14 C13 119.4(5) . . ?
C9 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C16 C15 P1 118.4(4) . . ?
C16 C15 C20 119.4(5) . . ?
C20 C15 P1 122.2(4) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.3(5) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 119.9(6) . . ?
C18 C17 H17 120.0 . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.2(5) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 119.6 . . ?
C18 C19 C20 120.7(6) . . ?
C20 C19 H19 119.6 . . ?
C15 C20 H20 120.3 . . ?
C19 C20 C15 119.5(5) . . ?
C19 C20 H20 120.3 . . ?
O1 C21 C22 102.7(4) . . ?
O1 C21 C25 106.7(6) . . ?
O1 C21 C26 108.1(6) . . ?
C25 C21 C22 114.6(5) . . ?
C26 C21 C22 115.7(6) . . ?
C26 C21 C25 108.4(5) . . ?
O2 C22 C21 102.2(4) . . ?
O2 C22 C23 107.0(5) . . ?
O2 C22 C24 108.2(6) . . ?
C23 C22 C21 115.1(6) . . ?
C24 C22 C21 115.3(5) . . ?
C24 C22 C23 108.4(5) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25A 109.5 . . ?
C21 C25 H25B 109.5 . . ?
C21 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O1 B1 C2 123.3(5) . . ?
O2 B1 O1 113.1(4) . . ?
O2 B1 C2 123.6(4) . . ?
C28 C27 H27 119.9 . . ?
C28 C27 C29 120.2(8) . 3_756 ?
C29 C27 H27 119.9 3_756 . ?
C27 C28 H28 119.3 . . ?
C27 C28 C29 121.5(8) . . ?
C29 C28 H28 119.3 . . ?
C27 C29 H29 120.8 3_756 . ?
C27 C29 C30 119.9(10) 3_756 . ?
C28 C29 C27 118.4(8) . 3_756 ?
C28 C29 H29 120.8 . . ?
C28 C29 C30 121.7(10) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
