#------------------------------------------------------------------------------
#$Date: 2022-08-24 01:51:06 +0300 (Wed, 24 Aug 2022) $
#$Revision: 277362 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/10/7711049.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7711049
loop_
_publ_author_name
'Gascón, Elena'
'Otal, Isabel'
'Maisanaba, Sara'
'Llana-Ruiz-Cabello, María'
'Valero, Eva'
'Repetto, Guillermo'
'Jones, P. G.'
'Oriol, Luis'
'Jiménez, Josefina'
_publ_section_title
;
 Gold(I) metallocyclophosphazenes with antibacterial potency and antitumor
 efficacy. Synergistic antibacterial action of a heterometallic gold and
 silver-cyclophosphazene.
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT01963A
_journal_year                    2022
_chemical_formula_sum            'C74 H106 Au2 Cl2 N11 O6 P5'
_chemical_formula_weight         1865.37
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2022-01-31 deposited with the CCDC.	2022-08-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.277(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.0011(7)
_cell_length_b                   18.7057(6)
_cell_length_c                   21.6215(8)
_cell_measurement_reflns_used    7109
_cell_measurement_temperature    143(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     7983.5(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-2017
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      143(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       'ω- & φ-scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            171009
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        30.000
_diffrn_reflns_theta_max         30.037
_diffrn_reflns_theta_min         1.287
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.895
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular tablet'
_exptl_crystal_F_000             3768
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.314
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     936
_refine_ls_number_reflns         23338
_refine_ls_number_restraints     123
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0259
_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)+(0.0267P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0518
_refine_ls_wR_factor_ref         0.0559
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17992
_reflns_number_total             23338
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01963a2.cif
_cod_data_source_block           roset
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7711049
_shelx_shelxl_version_number     2017/1
_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.
;
_shelx_estimated_absorpt_t_min   0.443
_shelx_estimated_absorpt_t_max   0.575
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'
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 0.52885(2) 0.43099(2) 0.23110(2) 0.01843(2) Uani 1 1 d . . . . .
Au2 Au 0.47078(2) 0.11831(2) 0.29643(2) 0.01930(2) Uani 1 1 d . . . . .
P1 P 0.50593(3) 0.26937(3) 0.25630(3) 0.01529(12) Uani 1 1 d . . . . .
P2 P 0.62277(3) 0.17226(3) 0.29321(3) 0.01628(12) Uani 1 1 d . . . . .
P3 P 0.64608(3) 0.31297(3) 0.25477(3) 0.01543(11) Uani 1 1 d . . . . .
P4 P 0.39655(3) 0.03679(3) 0.31812(3) 0.01995(13) Uani 1 1 d . . . . .
P5 P 0.48602(3) 0.53740(3) 0.19935(3) 0.02037(13) Uani 1 1 d . . . . .
N1 N 0.54174(9) 0.19245(9) 0.27650(9) 0.0167(4) Uani 1 1 d . . . . .
N2 N 0.66837(9) 0.24112(10) 0.29067(9) 0.0171(4) Uani 1 1 d . . . . .
N3 N 0.56499(9) 0.32918(9) 0.25544(9) 0.0165(4) Uani 1 1 d . . . . .
N4 N 0.45514(10) 0.29606(11) 0.30287(9) 0.0194(4) Uani 1 1 d D . . . .
H04 H 0.4168(9) 0.2856(13) 0.2913(12) 0.023 Uiso 1 1 d D U . . .
N5 N 0.45370(10) 0.26022(11) 0.19120(10) 0.0217(4) Uani 1 1 d D . . . .
H05 H 0.4189(10) 0.2782(13) 0.1901(12) 0.026 Uiso 1 1 d D U . . .
N6 N 0.64199(12) 0.13792(11) 0.36283(10) 0.0250(5) Uani 1 1 d D . . . .
H06 H 0.6524(14) 0.0981(10) 0.3649(13) 0.030 Uiso 1 1 d D U . . .
N7 N 0.63742(11) 0.10799(11) 0.24585(11) 0.0246(5) Uani 1 1 d D . . . .
H07 H 0.6714(10) 0.0880(14) 0.2592(13) 0.030 Uiso 1 1 d D U . . .
N8 N 0.66038(11) 0.30970(11) 0.18247(9) 0.0206(4) Uani 1 1 d D . . . .
H08 H 0.6612(13) 0.3468(10) 0.1664(12) 0.025 Uiso 1 1 d D U . . .
N9 N 0.68657(11) 0.38178(10) 0.28769(10) 0.0207(4) Uani 1 1 d D . . . .
H09 H 0.7047(13) 0.4060(13) 0.2676(11) 0.025 Uiso 1 1 d D U . . .
C11 C 0.35792(12) 0.05886(13) 0.38579(12) 0.0230(5) Uani 1 1 d D . . . .
C12 C 0.31826(14) 0.12066(14) 0.38270(14) 0.0347(7) Uani 1 1 d D . . . .
H12 H 0.312659 0.149808 0.346251 0.042 Uiso 1 1 calc R U . . .
C13 C 0.28691(16) 0.13922(16) 0.43372(16) 0.0442(8) Uani 1 1 d D . . . .
H13 H 0.259682 0.181024 0.431806 0.053 Uiso 1 1 calc R U . . .
C14 C 0.29520(16) 0.09748(16) 0.48650(14) 0.0420(8) Uani 1 1 d D . . . .
H14 H 0.273652 0.110269 0.520987 0.050 Uiso 1 1 calc R U . . .
C15 C 0.33436(17) 0.03764(16) 0.48943(14) 0.0429(8) Uani 1 1 d D . . . .
H15 H 0.339975 0.008925 0.526147 0.051 Uiso 1 1 calc R U . . .
C16 C 0.36616(14) 0.01805(15) 0.43955(12) 0.0329(6) Uani 1 1 d D . . . .
H16 H 0.393691 -0.023582 0.442452 0.040 Uiso 1 1 calc R U . . .
C21 C 0.32604(12) 0.02316(13) 0.25540(11) 0.0228(5) Uani 1 1 d D . . . .
C22 C 0.32803(15) 0.05276(15) 0.19686(13) 0.0329(6) Uani 1 1 d D . . . .
H22 H 0.365537 0.081247 0.190194 0.039 Uiso 1 1 calc R U . . .
C23 C 0.27497(16) 0.04058(17) 0.14802(13) 0.0411(7) Uani 1 1 d D . . . .
H23 H 0.276305 0.060716 0.107897 0.049 Uiso 1 1 calc R U . . .
C24 C 0.22010(15) -0.00085(15) 0.15767(14) 0.0376(7) Uani 1 1 d D . . . .
H24 H 0.184200 -0.009493 0.124025 0.045 Uiso 1 1 calc R U . . .
C25 C 0.21753(13) -0.02942(14) 0.21573(13) 0.0307(6) Uani 1 1 d D . . . .
H25 H 0.179735 -0.057577 0.222188 0.037 Uiso 1 1 calc R U . . .
C26 C 0.26992(12) -0.01733(13) 0.26500(12) 0.0247(5) Uani 1 1 d D . . . .
H26 H 0.267644 -0.036587 0.305260 0.030 Uiso 1 1 calc R U . . .
C31 C 0.43865(12) -0.04867(12) 0.33426(11) 0.0212(5) Uani 1 1 d D . . . .
C32 C 0.50186(14) -0.05030(15) 0.37271(14) 0.0350(7) Uani 1 1 d D . . . .
H32 H 0.521584 -0.007178 0.390288 0.042 Uiso 1 1 calc R U . . .
C33 C 0.53590(15) -0.11434(16) 0.38534(16) 0.0452(8) Uani 1 1 d D . . . .
H33 H 0.578633 -0.115278 0.411904 0.054 Uiso 1 1 calc R U . . .
C34 C 0.50743(14) -0.17724(15) 0.35907(14) 0.0375(7) Uani 1 1 d D . . . .
H34 H 0.530954 -0.221209 0.367301 0.045 Uiso 1 1 calc R U . . .
C35 C 0.44535(15) -0.17604(14) 0.32123(13) 0.0333(6) Uani 1 1 d D . . . .
H35 H 0.426008 -0.219257 0.303489 0.040 Uiso 1 1 calc R U . . .
C36 C 0.41084(13) -0.11240(13) 0.30879(12) 0.0271(6) Uani 1 1 d D . . . .
H36 H 0.367829 -0.112128 0.282660 0.032 Uiso 1 1 calc R U . . .
C41 C 0.43118(12) 0.52541(12) 0.12520(11) 0.0221(5) Uani 1 1 d D . . . .
C42 C 0.37747(13) 0.47745(13) 0.12272(12) 0.0280(6) Uani 1 1 d D . . . .
H42 H 0.369624 0.453988 0.159859 0.034 Uiso 1 1 calc R U . . .
C43 C 0.33570(14) 0.46381(15) 0.06685(13) 0.0354(7) Uani 1 1 d D . . . .
H43 H 0.298717 0.431707 0.065724 0.042 Uiso 1 1 calc R U . . .
C44 C 0.34754(16) 0.49685(16) 0.01228(14) 0.0413(7) Uani 1 1 d D . . . .
H44 H 0.318879 0.487363 -0.026323 0.050 Uiso 1 1 calc R U . . .
C45 C 0.40087(17) 0.54331(17) 0.01433(14) 0.0463(8) Uani 1 1 d D . . . .
H45 H 0.409266 0.565627 -0.023136 0.056 Uiso 1 1 calc R U . . .
C46 C 0.44283(15) 0.55814(15) 0.07069(13) 0.0356(7) Uani 1 1 d D . . . .
H46 H 0.479426 0.590717 0.071657 0.043 Uiso 1 1 calc R U . . .
C51 C 0.43487(13) 0.57956(12) 0.25115(12) 0.0234(5) Uani 1 1 d D . . . .
C52 C 0.37337(13) 0.61281(12) 0.22855(14) 0.0289(6) Uani 1 1 d D . . . .
H52 H 0.355564 0.610918 0.185108 0.035 Uiso 1 1 calc R U . . .
C53 C 0.33812(15) 0.64866(14) 0.26937(15) 0.0374(7) Uani 1 1 d D . . . .
H53 H 0.295995 0.670798 0.253894 0.045 Uiso 1 1 calc R U . . .
C54 C 0.36386(16) 0.65215(16) 0.33159(16) 0.0428(8) Uani 1 1 d D . . . .
H54 H 0.339912 0.677534 0.359162 0.051 Uiso 1 1 calc R U . . .
C55 C 0.42456(17) 0.61908(15) 0.35501(15) 0.0414(7) Uani 1 1 d D . . . .
H55 H 0.441806 0.621286 0.398555 0.050 Uiso 1 1 calc R U . . .
C56 C 0.46010(15) 0.58280(14) 0.31500(13) 0.0324(6) Uani 1 1 d D . . . .
H56 H 0.501765 0.560085 0.331076 0.039 Uiso 1 1 calc R U . . .
C61 C 0.54880(12) 0.60353(13) 0.18806(11) 0.0222(5) Uani 1 1 d D . . . .
C62 C 0.53347(14) 0.67677(13) 0.18786(13) 0.0304(6) Uani 1 1 d D . . . .
H62 H 0.490208 0.692146 0.195324 0.036 Uiso 1 1 calc R U . . .
C63 C 0.58127(15) 0.72658(14) 0.17683(14) 0.0354(7) Uani 1 1 d D . . . .
H63 H 0.570755 0.776117 0.176424 0.042 Uiso 1 1 calc R U . . .
C64 C 0.64438(15) 0.70420(15) 0.16640(13) 0.0358(7) Uani 1 1 d D . . . .
H64 H 0.677199 0.738411 0.158767 0.043 Uiso 1 1 calc R U . . .
C65 C 0.65963(15) 0.63305(16) 0.16704(15) 0.0393(7) Uani 1 1 d D . . . .
H65 H 0.703098 0.618076 0.159812 0.047 Uiso 1 1 calc R U . . .
C66 C 0.61238(14) 0.58244(14) 0.17812(14) 0.0331(6) Uani 1 1 d D . . . .
H66 H 0.623745 0.533104 0.178876 0.040 Uiso 1 1 calc R U . . .
C71 C 0.47484(13) 0.31366(13) 0.36909(11) 0.0237(5) Uani 1 1 d D . . . .
H71 H 0.523387 0.299948 0.382196 0.028 Uiso 1 1 calc R U . . .
C72 C 0.46805(18) 0.39308(14) 0.37950(13) 0.0409(8) Uani 1 1 d D . . . .
H72A H 0.421686 0.408402 0.361227 0.049 Uiso 1 1 calc R U . . .
H72B H 0.500254 0.418905 0.357232 0.049 Uiso 1 1 calc R U . . .
C73 C 0.4817(2) 0.41368(19) 0.44853(15) 0.0552(10) Uani 1 1 d D . . . .
H73A H 0.529715 0.404040 0.465779 0.066 Uiso 1 1 calc R U . . .
H73B H 0.473425 0.465506 0.452765 0.066 Uiso 1 1 calc R U . . .
C74 C 0.43644(16) 0.37197(17) 0.48564(14) 0.0433(8) Uani 1 1 d D . . . .
H74A H 0.388562 0.385511 0.471513 0.052 Uiso 1 1 calc R U . . .
H74B H 0.448242 0.384058 0.530661 0.052 Uiso 1 1 calc R U . . .
C75 C 0.44494(18) 0.29155(18) 0.47676(14) 0.0489(9) Uani 1 1 d D . . . .
H75A H 0.491513 0.277247 0.495346 0.059 Uiso 1 1 calc R U . . .
H75B H 0.412948 0.265399 0.499036 0.059 Uiso 1 1 calc R U . . .
C76 C 0.43204(16) 0.27124(14) 0.40831(13) 0.0362(7) Uani 1 1 d D . . . .
H76A H 0.383548 0.279044 0.391524 0.043 Uiso 1 1 calc R U . . .
H76B H 0.441687 0.219681 0.404356 0.043 Uiso 1 1 calc R U . . .
C81 C 0.47400(13) 0.24412(13) 0.13047(11) 0.0224(5) Uani 1 1 d D . . . .
H81 H 0.523445 0.232499 0.137701 0.027 Uiso 1 1 calc R U . . .
C82 C 0.43553(15) 0.17956(14) 0.10061(12) 0.0314(6) Uani 1 1 d D . . . .
H82A H 0.386242 0.188369 0.096986 0.038 Uiso 1 1 calc R U . . .
H82B H 0.446810 0.137283 0.127836 0.038 Uiso 1 1 calc R U . . .
C83 C 0.45298(19) 0.16411(16) 0.03574(13) 0.0474(8) Uani 1 1 d D . . . .
H83A H 0.501535 0.151405 0.039675 0.057 Uiso 1 1 calc R U . . .
H83B H 0.426035 0.122830 0.017032 0.057 Uiso 1 1 calc R U . . .
C84 C 0.4384(2) 0.22862(18) -0.00690(14) 0.0539(10) Uani 1 1 d D . . . .
H84A H 0.389252 0.239242 -0.013455 0.065 Uiso 1 1 calc R U . . .
H84B H 0.451460 0.218045 -0.048190 0.065 Uiso 1 1 calc R U . . .
C85 C 0.47789(19) 0.29338(18) 0.02220(14) 0.0506(9) Uani 1 1 d D . . . .
H85A H 0.527020 0.284476 0.024498 0.061 Uiso 1 1 calc R U . . .
H85B H 0.465878 0.335689 -0.004823 0.061 Uiso 1 1 calc R U . . .
C86 C 0.46270(16) 0.30876(14) 0.08742(12) 0.0351(7) Uani 1 1 d D . . . .
H86A H 0.415025 0.324548 0.084220 0.042 Uiso 1 1 calc R U . . .
H86B H 0.492031 0.348397 0.106077 0.042 Uiso 1 1 calc R U . . .
C91 C 0.65374(13) 0.17925(13) 0.42106(11) 0.0266(6) Uani 1 1 d D . . . .
H91 H 0.647758 0.230990 0.409878 0.032 Uiso 1 1 calc R U . . .
C92 C 0.60230(15) 0.16006(19) 0.46309(13) 0.0441(8) Uani 1 1 d D . . . .
H92A H 0.556255 0.172059 0.441326 0.053 Uiso 1 1 calc R U . . .
H92B H 0.603916 0.107907 0.471004 0.053 Uiso 1 1 calc R U . . .
C93 C 0.61578(18) 0.1995(2) 0.52520(14) 0.0624(11) Uani 1 1 d D . . . .
H93A H 0.582815 0.183631 0.551962 0.075 Uiso 1 1 calc R U . . .
H93B H 0.609396 0.251409 0.517695 0.075 Uiso 1 1 calc R U . . .
C94 C 0.68727(16) 0.18569(19) 0.55902(13) 0.0481(9) Uani 1 1 d D . . . .
H94A H 0.695199 0.213125 0.598683 0.058 Uiso 1 1 calc R U . . .
H94B H 0.692805 0.134256 0.569374 0.058 Uiso 1 1 calc R U . . .
C95 C 0.73842(17) 0.20777(16) 0.51810(13) 0.0422(8) Uani 1 1 d D . . . .
H95A H 0.784663 0.196415 0.539745 0.051 Uiso 1 1 calc R U . . .
H95B H 0.735636 0.260053 0.511044 0.051 Uiso 1 1 calc R U . . .
C96 C 0.72527(14) 0.16904(15) 0.45501(12) 0.0306(6) Uani 1 1 d D . . . .
H96A H 0.757403 0.186964 0.428253 0.037 Uiso 1 1 calc R U . . .
H96B H 0.733930 0.117323 0.461987 0.037 Uiso 1 1 calc R U . . .
C101 C 0.58951(13) 0.06501(12) 0.20268(11) 0.0230(5) Uani 1 1 d D . . . .
H101 H 0.546251 0.092401 0.192013 0.028 Uiso 1 1 calc R U . . .
C102 C 0.61822(15) 0.05135(14) 0.14231(12) 0.0322(6) Uani 1 1 d D . . . .
H10A H 0.663267 0.028490 0.152695 0.039 Uiso 1 1 calc R U . . .
H10B H 0.624133 0.097525 0.121468 0.039 Uiso 1 1 calc R U . . .
C103 C 0.57128(17) 0.00308(16) 0.09738(14) 0.0469(8) Uani 1 1 d D . . . .
H10C H 0.528256 0.028611 0.082822 0.056 Uiso 1 1 calc R U . . .
H10D H 0.592800 -0.007477 0.060250 0.056 Uiso 1 1 calc R U . . .
C104 C 0.55620(16) -0.06644(16) 0.12825(16) 0.0457(8) Uani 1 1 d D . . . .
H10E H 0.523683 -0.094909 0.098737 0.055 Uiso 1 1 calc R U . . .
H10F H 0.598438 -0.094537 0.138830 0.055 Uiso 1 1 calc R U . . .
C105 C 0.52669(15) -0.05194(16) 0.18724(16) 0.0437(8) Uani 1 1 d D . . . .
H10G H 0.518918 -0.097799 0.207810 0.052 Uiso 1 1 calc R U . . .
H10H H 0.482485 -0.027465 0.176201 0.052 Uiso 1 1 calc R U . . .
C106 C 0.57433(14) -0.00558(13) 0.23230(13) 0.0322(6) Uani 1 1 d D . . . .
H10I H 0.553624 0.003977 0.270086 0.039 Uiso 1 1 calc R U . . .
H10J H 0.617267 -0.031740 0.245632 0.039 Uiso 1 1 calc R U . . .
C111 C 0.71042(12) 0.26031(13) 0.16251(11) 0.0229(5) Uani 1 1 d D . . . .
H111 H 0.703540 0.212197 0.180635 0.028 Uiso 1 1 calc R U . . .
C112 C 0.78318(13) 0.28302(15) 0.18583(13) 0.0323(6) Uani 1 1 d D . . . .
H11A H 0.791217 0.330918 0.168992 0.039 Uiso 1 1 calc R U . . .
H11B H 0.790750 0.286188 0.232140 0.039 Uiso 1 1 calc R U . . .
C113 C 0.83269(15) 0.22972(17) 0.16529(15) 0.0440(8) Uani 1 1 d D . . . .
H11C H 0.879741 0.245330 0.180607 0.053 Uiso 1 1 calc R U . . .
H11D H 0.826083 0.182188 0.183520 0.053 Uiso 1 1 calc R U . . .
C114 C 0.82126(15) 0.22461(15) 0.09463(14) 0.0404(8) Uani 1 1 d D . . . .
H11E H 0.852716 0.188864 0.081554 0.048 Uiso 1 1 calc R U . . .
H11F H 0.831165 0.271408 0.076735 0.048 Uiso 1 1 calc R U . . .
C115 C 0.74888(17) 0.20319(17) 0.06933(15) 0.0451(8) Uani 1 1 d D . . . .
H11G H 0.740938 0.153830 0.082995 0.054 Uiso 1 1 calc R U . . .
H11H H 0.742202 0.203577 0.022956 0.054 Uiso 1 1 calc R U . . .
C116 C 0.69732(15) 0.25335(15) 0.09175(12) 0.0340(6) Uani 1 1 d D . . . .
H11I H 0.700168 0.301080 0.072567 0.041 Uiso 1 1 calc R U . . .
H11J H 0.651032 0.234531 0.078080 0.041 Uiso 1 1 calc R U . . .
C121 C 0.68055(12) 0.40689(12) 0.35049(11) 0.0215(5) Uani 1 1 d D . . . .
H121 H 0.640111 0.383033 0.363159 0.026 Uiso 1 1 calc R U . . .
C122 C 0.74221(15) 0.38634(14) 0.39836(12) 0.0316(6) Uani 1 1 d D . . . .
H12A H 0.747080 0.333666 0.399396 0.038 Uiso 1 1 calc R U . . .
H12B H 0.783502 0.406881 0.385556 0.038 Uiso 1 1 calc R U . . .
C123 C 0.73549(18) 0.41334(15) 0.46355(13) 0.0443(8) Uani 1 1 d D . . . .
H12C H 0.697124 0.388743 0.478239 0.053 Uiso 1 1 calc R U . . .
H12D H 0.777273 0.401689 0.493018 0.053 Uiso 1 1 calc R U . . .
C124 C 0.72380(17) 0.49342(15) 0.46360(14) 0.0421(8) Uani 1 1 d D . . . .
H12E H 0.764217 0.518356 0.453202 0.050 Uiso 1 1 calc R U . . .
H12F H 0.717061 0.508901 0.505944 0.050 Uiso 1 1 calc R U . . .
C125 C 0.66192(15) 0.51374(15) 0.41609(13) 0.0359(7) Uani 1 1 d D . . . .
H12G H 0.620843 0.492822 0.429001 0.043 Uiso 1 1 calc R U . . .
H12H H 0.656736 0.566379 0.415216 0.043 Uiso 1 1 calc R U . . .
C126 C 0.66852(13) 0.48719(13) 0.35100(12) 0.0254(5) Uani 1 1 d D . . . .
H12I H 0.706721 0.512081 0.336296 0.030 Uiso 1 1 calc R U . . .
H12J H 0.626623 0.498813 0.321679 0.030 Uiso 1 1 calc R U . . .
N10 N 0.75032(12) 0.47482(11) 0.15577(10) 0.0294(5) Uani 1 1 d . . . . .
O1 O 0.69934(11) 0.44296(10) 0.12759(9) 0.0385(5) Uani 1 1 d . . . . .
O2 O 0.75481(10) 0.48803(10) 0.21336(8) 0.0319(4) Uani 1 1 d . . . . .
O3 O 0.79589(12) 0.49469(11) 0.12683(9) 0.0467(6) Uani 1 1 d . . . . .
N11 N 0.28571(11) 0.29696(12) 0.23005(11) 0.0298(5) Uani 1 1 d . . . . .
O4 O 0.31893(10) 0.32759(11) 0.19374(10) 0.0396(5) Uani 1 1 d . . . . .
O5 O 0.22365(10) 0.30660(10) 0.22577(11) 0.0441(5) Uani 1 1 d . . . . .
O6 O 0.31522(10) 0.25660(13) 0.27154(11) 0.0573(7) Uani 1 1 d . . . . .
C201 C 0.6474(6) 0.1952(5) -0.1359(4) 0.150(3) Uani 0.866(2) 1 d D U P A 1
H20A H 0.613865 0.197193 -0.174912 0.180 Uiso 0.866(2) 1 calc R U P A 1
H20B H 0.690455 0.213071 -0.147203 0.180 Uiso 0.866(2) 1 calc R U P A 1
C202 C 0.6569(4) 0.1314(3) -0.1251(3) 0.103(2) Uani 0.866(2) 1 d D U P A 1
H20C H 0.706435 0.123813 -0.120413 0.123 Uiso 0.866(2) 1 calc R U P A 1
H20D H 0.636670 0.105806 -0.163691 0.123 Uiso 0.866(2) 1 calc R U P A 1
Cl1 Cl 0.62160(6) 0.26147(6) -0.08695(5) 0.0574(3) Uani 0.866(2) 1 d D U P A 1
Cl2 Cl 0.62968(6) 0.08645(6) -0.06261(6) 0.0690(4) Uani 0.866(2) 1 d D . P A 1
C203 C 0.6844(10) 0.184(3) -0.1480(12) 0.081(8) Uiso 0.134(2) 1 d D U P A 2
H20E H 0.700254 0.227671 -0.166371 0.097 Uiso 0.134(2) 1 calc R U P A 2
H20F H 0.684092 0.146580 -0.180831 0.097 Uiso 0.134(2) 1 calc R U P A 2
C204 C 0.6217(7) 0.1957(9) -0.1487(7) 0.006(3) Uiso 0.134(2) 1 d D U P A 2
H20G H 0.596433 0.151405 -0.162094 0.007 Uiso 0.134(2) 1 calc R U P A 2
H20H H 0.607180 0.232479 -0.181000 0.007 Uiso 0.134(2) 1 calc R U P A 2
Cl1' Cl 0.7524(5) 0.1596(5) -0.0933(4) 0.088(3) Uiso 0.134(2) 1 d D . P A 2
Cl2' Cl 0.5983(9) 0.2232(10) -0.0812(7) 0.164(7) Uiso 0.134(2) 1 d D U P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N3 Au1 P5 176.28(5) . . ?
N1 Au2 P4 178.65(5) . . ?
N4 P1 N5 101.03(10) . . ?
N4 P1 N3 108.90(10) . . ?
N5 P1 N3 115.44(11) . . ?
N4 P1 N1 113.37(10) . . ?
N5 P1 N1 109.40(10) . . ?
N3 P1 N1 108.67(9) . . ?
N2 P2 N6 107.57(11) . . ?
N2 P2 N7 114.43(11) . . ?
N6 P2 N7 104.47(11) . . ?
N2 P2 N1 110.96(10) . . ?
N6 P2 N1 111.81(11) . . ?
N7 P2 N1 107.49(10) . . ?
N2 P3 N9 112.20(11) . . ?
N2 P3 N8 111.03(10) . . ?
N9 P3 N8 107.30(11) . . ?
N2 P3 N3 110.57(10) . . ?
N9 P3 N3 105.77(10) . . ?
N8 P3 N3 109.78(10) . . ?
C11 P4 C21 104.79(11) . . ?
C11 P4 C31 106.92(11) . . ?
C21 P4 C31 107.55(11) . . ?
C11 P4 Au2 113.56(8) . . ?
C21 P4 Au2 113.80(8) . . ?
C31 P4 Au2 109.81(8) . . ?
C41 P5 C61 107.52(11) . . ?
C41 P5 C51 106.26(12) . . ?
C61 P5 C51 105.02(11) . . ?
C41 P5 Au1 108.10(8) . . ?
C61 P5 Au1 114.31(8) . . ?
C51 P5 Au1 115.12(8) . . ?
P1 N1 P2 129.33(11) . . ?
P1 N1 Au2 110.99(10) . . ?
P2 N1 Au2 118.84(10) . . ?
P3 N2 P2 126.17(12) . . ?
P1 N3 P3 126.06(11) . . ?
P1 N3 Au1 114.18(10) . . ?
P3 N3 Au1 117.94(10) . . ?
C71 N4 P1 125.58(16) . . ?
C81 N5 P1 124.50(16) . . ?
C91 N6 P2 124.70(16) . . ?
C101 N7 P2 129.58(17) . . ?
C111 N8 P3 122.29(16) . . ?
C121 N9 P3 123.58(16) . . ?
C16 C11 C12 119.2(2) . . ?
C16 C11 P4 123.2(2) . . ?
C12 C11 P4 117.6(2) . . ?
C13 C12 C11 119.4(3) . . ?
C14 C13 C12 120.4(3) . . ?
C15 C14 C13 119.9(3) . . ?
C14 C15 C16 120.9(3) . . ?
C11 C16 C15 120.1(3) . . ?
C22 C21 C26 119.6(2) . . ?
C22 C21 P4 119.58(19) . . ?
C26 C21 P4 120.84(19) . . ?
C21 C22 C23 119.8(3) . . ?
C24 C23 C22 120.2(3) . . ?
C25 C24 C23 120.2(3) . . ?
C24 C25 C26 120.2(3) . . ?
C25 C26 C21 120.0(2) . . ?
C36 C31 C32 118.9(2) . . ?
C36 C31 P4 122.37(19) . . ?
C32 C31 P4 118.77(19) . . ?
C33 C32 C31 120.4(3) . . ?
C32 C33 C34 119.8(3) . . ?
C35 C34 C33 120.1(3) . . ?
C34 C35 C36 120.4(3) . . ?
C35 C36 C31 120.4(3) . . ?
C46 C41 C42 119.2(2) . . ?
C46 C41 P5 122.76(19) . . ?
C42 C41 P5 117.93(19) . . ?
C43 C42 C41 120.5(2) . . ?
C42 C43 C44 120.1(3) . . ?
C45 C44 C43 119.6(3) . . ?
C44 C45 C46 120.7(3) . . ?
C41 C46 C45 119.9(3) . . ?
C56 C51 C52 119.1(2) . . ?
C56 C51 P5 118.7(2) . . ?
C52 C51 P5 122.1(2) . . ?
C53 C52 C51 120.2(3) . . ?
C54 C53 C52 120.1(3) . . ?
C53 C54 C55 120.6(3) . . ?
C56 C55 C54 120.0(3) . . ?
C55 C56 C51 120.1(3) . . ?
C66 C61 C62 119.0(2) . . ?
C66 C61 P5 120.19(19) . . ?
C62 C61 P5 120.82(19) . . ?
C63 C62 C61 120.1(3) . . ?
C64 C63 C62 119.9(3) . . ?
C65 C64 C63 120.1(3) . . ?
C64 C65 C66 120.7(3) . . ?
C61 C66 C65 120.2(3) . . ?
N4 C71 C72 110.6(2) . . ?
N4 C71 C76 110.0(2) . . ?
C72 C71 C76 110.9(2) . . ?
C71 C72 C73 112.9(3) . . ?
C74 C73 C72 111.1(3) . . ?
C73 C74 C75 110.6(2) . . ?
C76 C75 C74 111.5(3) . . ?
C75 C76 C71 113.1(2) . . ?
N5 C81 C82 110.5(2) . . ?
N5 C81 C86 110.5(2) . . ?
C82 C81 C86 110.9(2) . . ?
C81 C82 C83 111.5(2) . . ?
C84 C83 C82 110.9(2) . . ?
C83 C84 C85 110.2(3) . . ?
C86 C85 C84 111.5(3) . . ?
C85 C86 C81 112.7(2) . . ?
N6 C91 C96 111.0(2) . . ?
N6 C91 C92 111.0(2) . . ?
C96 C91 C92 111.0(2) . . ?
C93 C92 C91 111.9(3) . . ?
C92 C93 C94 111.3(3) . . ?
C95 C94 C93 110.2(3) . . ?
C94 C95 C96 110.9(2) . . ?
C91 C96 C95 112.7(2) . . ?
N7 C101 C106 111.3(2) . . ?
N7 C101 C102 109.8(2) . . ?
C106 C101 C102 110.0(2) . . ?
C101 C102 C103 111.3(2) . . ?
C104 C103 C102 111.8(3) . . ?
C105 C104 C103 110.5(2) . . ?
C104 C105 C106 110.7(2) . . ?
C101 C106 C105 111.9(2) . . ?
N8 C111 C116 109.5(2) . . ?
N8 C111 C112 112.7(2) . . ?
C116 C111 C112 111.0(2) . . ?
C113 C112 C111 110.7(2) . . ?
C114 C113 C112 109.7(2) . . ?
C113 C114 C115 111.2(2) . . ?
C114 C115 C116 112.1(2) . . ?
C111 C116 C115 110.9(2) . . ?
N9 C121 C126 111.2(2) . . ?
N9 C121 C122 111.8(2) . . ?
C126 C121 C122 110.8(2) . . ?
C123 C122 C121 111.2(2) . . ?
C124 C123 C122 111.4(2) . . ?
C123 C124 C125 110.8(2) . . ?
C126 C125 C124 111.2(2) . . ?
C125 C126 C121 111.5(2) . . ?
O3 N10 O1 120.2(2) . . ?
O3 N10 O2 119.9(2) . . ?
O1 N10 O2 119.9(2) . . ?
O5 N11 O6 119.5(2) . . ?
O5 N11 O4 120.9(2) . . ?
O6 N11 O4 119.6(2) . . ?
C202 C201 Cl1 128.5(7) . . ?
C201 C202 Cl2 123.9(6) . . ?
C204 C203 Cl1' 137(2) . . ?
C203 C204 Cl2' 117.1(16) . . ?
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 N3 2.0746(18) . ?
Au1 P5 2.2310(6) . ?
Au2 N1 2.0785(18) . ?
Au2 P4 2.2302(6) . ?
P1 N4 1.620(2) . ?
P1 N5 1.621(2) . ?
P1 N3 1.6293(19) . ?
P1 N1 1.6350(19) . ?
P2 N2 1.5843(19) . ?
P2 N6 1.625(2) . ?
P2 N7 1.636(2) . ?
P2 N1 1.6465(19) . ?
P3 N2 1.5800(19) . ?
P3 N9 1.623(2) . ?
P3 N8 1.635(2) . ?
P3 N3 1.6524(19) . ?
P4 C11 1.809(2) . ?
P4 C21 1.810(3) . ?
P4 C31 1.814(2) . ?
P5 C41 1.805(2) . ?
P5 C61 1.807(2) . ?
P5 C51 1.814(3) . ?
N4 C71 1.460(3) . ?
N5 C81 1.467(3) . ?
N6 C91 1.464(3) . ?
N7 C101 1.465(3) . ?
N8 C111 1.477(3) . ?
N9 C121 1.460(3) . ?
C11 C16 1.378(3) . ?
C11 C12 1.398(3) . ?
C12 C13 1.398(4) . ?
C13 C14 1.370(4) . ?
C14 C15 1.362(4) . ?
C15 C16 1.387(4) . ?
C21 C22 1.388(3) . ?
C21 C26 1.397(3) . ?
C22 C23 1.390(4) . ?
C23 C24 1.387(4) . ?
C24 C25 1.373(4) . ?
C25 C26 1.387(3) . ?
C31 C36 1.391(3) . ?
C31 C32 1.397(3) . ?
C32 C33 1.383(4) . ?
C33 C34 1.388(4) . ?
C34 C35 1.373(4) . ?
C35 C36 1.381(3) . ?
C41 C46 1.381(3) . ?
C41 C42 1.394(3) . ?
C42 C43 1.377(4) . ?
C43 C44 1.386(4) . ?
C44 C45 1.371(4) . ?
C45 C46 1.392(4) . ?
C51 C56 1.393(4) . ?
C51 C52 1.395(3) . ?
C52 C53 1.388(4) . ?
C53 C54 1.362(4) . ?
C54 C55 1.384(4) . ?
C55 C56 1.383(4) . ?
C61 C66 1.381(4) . ?
C61 C62 1.404(3) . ?
C62 C63 1.383(3) . ?
C63 C64 1.382(4) . ?
C64 C65 1.365(4) . ?
C65 C66 1.386(4) . ?
C71 C72 1.512(3) . ?
C71 C76 1.522(3) . ?
C72 C73 1.523(4) . ?
C73 C74 1.518(4) . ?
C74 C75 1.530(4) . ?
C75 C76 1.509(4) . ?
C81 C82 1.519(3) . ?
C81 C86 1.520(3) . ?
C82 C83 1.527(4) . ?
C83 C84 1.518(4) . ?
C84 C85 1.526(4) . ?
C85 C86 1.517(4) . ?
C91 C96 1.511(4) . ?
C91 C92 1.521(4) . ?
C92 C93 1.518(4) . ?
C93 C94 1.519(4) . ?
C94 C95 1.514(4) . ?
C95 C96 1.529(4) . ?
C101 C106 1.519(3) . ?
C101 C102 1.530(3) . ?
C102 C103 1.532(4) . ?
C103 C104 1.514(4) . ?
C104 C105 1.514(4) . ?
C105 C106 1.520(4) . ?
C111 C116 1.516(3) . ?
C111 C112 1.522(3) . ?
C112 C113 1.521(4) . ?
C113 C114 1.511(4) . ?
C114 C115 1.517(4) . ?
C115 C116 1.530(4) . ?
C121 C126 1.521(3) . ?
C121 C122 1.526(3) . ?
C122 C123 1.523(4) . ?
C123 C124 1.516(4) . ?
C124 C125 1.524(4) . ?
C125 C126 1.518(3) . ?
N10 O3 1.243(3) . ?
N10 O1 1.251(3) . ?
N10 O2 1.258(3) . ?
N11 O5 1.243(3) . ?
N11 O6 1.246(3) . ?
N11 O4 1.247(3) . ?
C201 C202 1.224(9) . ?
C201 Cl1 1.761(7) . ?
C202 Cl2 1.752(6) . ?
C203 C204 1.272(17) . ?
C203 Cl1' 1.712(16) . ?
C204 Cl2' 1.683(14) . ?
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
N4 H04 O6 0.791(16) 2.080(17) 2.868(3) 174(3) . yes
N5 H05 O4 0.769(16) 2.217(17) 2.984(3) 176(3) . yes
N6 H06 O3 0.772(16) 2.188(18) 2.947(3) 168(3) 2_645 yes
N7 H07 O2 0.788(16) 2.398(19) 3.138(3) 157(3) 2_645 yes
N8 H08 O1 0.778(16) 2.174(18) 2.920(3) 161(3) . yes
N9 H09 O2 0.760(16) 2.261(17) 3.017(3) 174(3) . 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
N4 P1 N1 P2 -122.03(15) . . . . ?
N5 P1 N1 P2 126.06(15) . . . . ?
N3 P1 N1 P2 -0.79(18) . . . . ?
N4 P1 N1 Au2 47.15(13) . . . . ?
N5 P1 N1 Au2 -64.76(12) . . . . ?
N3 P1 N1 Au2 168.38(9) . . . . ?
N2 P2 N1 P1 2.61(19) . . . . ?
N6 P2 N1 P1 122.71(15) . . . . ?
N7 P2 N1 P1 -123.20(16) . . . . ?
N2 P2 N1 Au2 -165.84(10) . . . . ?
N6 P2 N1 Au2 -45.75(14) . . . . ?
N7 P2 N1 Au2 68.34(14) . . . . ?
N9 P3 N2 P2 151.37(14) . . . . ?
N8 P3 N2 P2 -88.57(16) . . . . ?
N3 P3 N2 P2 33.55(18) . . . . ?
N6 P2 N2 P3 -143.58(14) . . . . ?
N7 P2 N2 P3 100.85(16) . . . . ?
N1 P2 N2 P3 -20.99(18) . . . . ?
N4 P1 N3 P3 140.02(14) . . . . ?
N5 P1 N3 P3 -107.23(15) . . . . ?
N1 P1 N3 P3 16.08(17) . . . . ?
N4 P1 N3 Au1 -55.76(13) . . . . ?
N5 P1 N3 Au1 56.99(14) . . . . ?
N1 P1 N3 Au1 -179.70(10) . . . . ?
N2 P3 N3 P1 -30.98(18) . . . . ?
N9 P3 N3 P1 -152.67(14) . . . . ?
N8 P3 N3 P1 91.87(16) . . . . ?
N2 P3 N3 Au1 165.33(10) . . . . ?
N9 P3 N3 Au1 43.63(14) . . . . ?
N8 P3 N3 Au1 -71.82(13) . . . . ?
N5 P1 N4 C71 -179.4(2) . . . . ?
N3 P1 N4 C71 -57.5(2) . . . . ?
N1 P1 N4 C71 63.6(2) . . . . ?
N4 P1 N5 C81 173.07(19) . . . . ?
N3 P1 N5 C81 55.8(2) . . . . ?
N1 P1 N5 C81 -67.1(2) . . . . ?
N2 P2 N6 C91 41.7(2) . . . . ?
N7 P2 N6 C91 163.7(2) . . . . ?
N1 P2 N6 C91 -80.3(2) . . . . ?
N2 P2 N7 C101 -133.3(2) . . . . ?
N6 P2 N7 C101 109.3(2) . . . . ?
N1 P2 N7 C101 -9.6(3) . . . . ?
N2 P3 N8 C111 -22.1(2) . . . . ?
N9 P3 N8 C111 100.8(2) . . . . ?
N3 P3 N8 C111 -144.68(18) . . . . ?
N2 P3 N9 C121 -64.4(2) . . . . ?
N8 P3 N9 C121 173.38(19) . . . . ?
N3 P3 N9 C121 56.2(2) . . . . ?
C21 P4 C11 C16 118.6(2) . . . . ?
C31 P4 C11 C16 4.6(2) . . . . ?
Au2 P4 C11 C16 -116.6(2) . . . . ?
C21 P4 C11 C12 -61.8(2) . . . . ?
C31 P4 C11 C12 -175.74(19) . . . . ?
Au2 P4 C11 C12 63.0(2) . . . . ?
C16 C11 C12 C13 -1.0(4) . . . . ?
P4 C11 C12 C13 179.3(2) . . . . ?
C11 C12 C13 C14 0.4(4) . . . . ?
C12 C13 C14 C15 0.2(5) . . . . ?
C13 C14 C15 C16 -0.1(5) . . . . ?
C12 C11 C16 C15 1.2(4) . . . . ?
P4 C11 C16 C15 -179.2(2) . . . . ?
C14 C15 C16 C11 -0.6(5) . . . . ?
C11 P4 C21 C22 135.5(2) . . . . ?
C31 P4 C21 C22 -111.0(2) . . . . ?
Au2 P4 C21 C22 10.8(2) . . . . ?
C11 P4 C21 C26 -45.2(2) . . . . ?
C31 P4 C21 C26 68.4(2) . . . . ?
Au2 P4 C21 C26 -169.77(17) . . . . ?
C26 C21 C22 C23 -1.4(4) . . . . ?
P4 C21 C22 C23 178.0(2) . . . . ?
C21 C22 C23 C24 0.1(4) . . . . ?
C22 C23 C24 C25 0.7(5) . . . . ?
C23 C24 C25 C26 -0.3(4) . . . . ?
C24 C25 C26 C21 -1.0(4) . . . . ?
C22 C21 C26 C25 1.8(4) . . . . ?
P4 C21 C26 C25 -177.57(19) . . . . ?
C11 P4 C31 C36 101.7(2) . . . . ?
C21 P4 C31 C36 -10.4(2) . . . . ?
Au2 P4 C31 C36 -134.66(19) . . . . ?
C11 P4 C31 C32 -79.5(2) . . . . ?
C21 P4 C31 C32 168.4(2) . . . . ?
Au2 P4 C31 C32 44.1(2) . . . . ?
C36 C31 C32 C33 -0.3(4) . . . . ?
P4 C31 C32 C33 -179.1(2) . . . . ?
C31 C32 C33 C34 0.7(5) . . . . ?
C32 C33 C34 C35 -0.7(5) . . . . ?
C33 C34 C35 C36 0.2(4) . . . . ?
C34 C35 C36 C31 0.2(4) . . . . ?
C32 C31 C36 C35 -0.2(4) . . . . ?
P4 C31 C36 C35 178.6(2) . . . . ?
C61 P5 C41 C46 5.4(3) . . . . ?
C51 P5 C41 C46 117.5(2) . . . . ?
Au1 P5 C41 C46 -118.5(2) . . . . ?
C61 P5 C41 C42 -178.74(19) . . . . ?
C51 P5 C41 C42 -66.7(2) . . . . ?
Au1 P5 C41 C42 57.4(2) . . . . ?
C46 C41 C42 C43 -1.2(4) . . . . ?
P5 C41 C42 C43 -177.2(2) . . . . ?
C41 C42 C43 C44 1.1(4) . . . . ?
C42 C43 C44 C45 -0.2(5) . . . . ?
C43 C44 C45 C46 -0.6(5) . . . . ?
C42 C41 C46 C45 0.4(4) . . . . ?
P5 C41 C46 C45 176.2(2) . . . . ?
C44 C45 C46 C41 0.5(5) . . . . ?
C41 P5 C51 C56 167.8(2) . . . . ?
C61 P5 C51 C56 -78.5(2) . . . . ?
Au1 P5 C51 C56 48.1(2) . . . . ?
C41 P5 C51 C52 -16.6(2) . . . . ?
C61 P5 C51 C52 97.2(2) . . . . ?
Au1 P5 C51 C52 -136.18(18) . . . . ?
C56 C51 C52 C53 0.1(4) . . . . ?
P5 C51 C52 C53 -175.55(19) . . . . ?
C51 C52 C53 C54 0.7(4) . . . . ?
C52 C53 C54 C55 -1.2(4) . . . . ?
C53 C54 C55 C56 0.8(5) . . . . ?
C54 C55 C56 C51 0.0(4) . . . . ?
C52 C51 C56 C55 -0.5(4) . . . . ?
P5 C51 C56 C55 175.3(2) . . . . ?
C41 P5 C61 C66 -98.2(2) . . . . ?
C51 P5 C61 C66 148.9(2) . . . . ?
Au1 P5 C61 C66 21.8(2) . . . . ?
C41 P5 C61 C62 80.4(2) . . . . ?
C51 P5 C61 C62 -32.5(2) . . . . ?
Au1 P5 C61 C62 -159.61(18) . . . . ?
C66 C61 C62 C63 1.0(4) . . . . ?
P5 C61 C62 C63 -177.6(2) . . . . ?
C61 C62 C63 C64 -0.4(4) . . . . ?
C62 C63 C64 C65 -0.1(4) . . . . ?
C63 C64 C65 C66 0.0(5) . . . . ?
C62 C61 C66 C65 -1.1(4) . . . . ?
P5 C61 C66 C65 177.5(2) . . . . ?
C64 C65 C66 C61 0.7(5) . . . . ?
P1 N4 C71 C72 110.9(2) . . . . ?
P1 N4 C71 C76 -126.3(2) . . . . ?
N4 C71 C72 C73 174.7(2) . . . . ?
C76 C71 C72 C73 52.4(4) . . . . ?
C71 C72 C73 C74 -55.2(4) . . . . ?
C72 C73 C74 C75 55.7(4) . . . . ?
C73 C74 C75 C76 -55.4(4) . . . . ?
C74 C75 C76 C71 54.1(4) . . . . ?
N4 C71 C76 C75 -174.7(2) . . . . ?
C72 C71 C76 C75 -52.1(3) . . . . ?
P1 N5 C81 C82 127.2(2) . . . . ?
P1 N5 C81 C86 -109.8(2) . . . . ?
N5 C81 C82 C83 177.0(2) . . . . ?
C86 C81 C82 C83 54.2(3) . . . . ?
C81 C82 C83 C84 -57.3(4) . . . . ?
C82 C83 C84 C85 57.4(4) . . . . ?
C83 C84 C85 C86 -55.7(4) . . . . ?
C84 C85 C86 C81 54.0(4) . . . . ?
N5 C81 C86 C85 -175.7(2) . . . . ?
C82 C81 C86 C85 -52.9(3) . . . . ?
P2 N6 C91 C96 -118.0(2) . . . . ?
P2 N6 C91 C92 118.0(2) . . . . ?
N6 C91 C92 C93 177.0(2) . . . . ?
C96 C91 C92 C93 53.0(3) . . . . ?
C91 C92 C93 C94 -56.1(4) . . . . ?
C92 C93 C94 C95 57.6(4) . . . . ?
C93 C94 C95 C96 -56.4(4) . . . . ?
N6 C91 C96 C95 -176.6(2) . . . . ?
C92 C91 C96 C95 -52.5(3) . . . . ?
C94 C95 C96 C91 54.9(3) . . . . ?
P2 N7 C101 C106 -96.0(3) . . . . ?
P2 N7 C101 C102 141.9(2) . . . . ?
N7 C101 C102 C103 176.9(2) . . . . ?
C106 C101 C102 C103 54.1(3) . . . . ?
C101 C102 C103 C104 -54.9(3) . . . . ?
C102 C103 C104 C105 55.9(4) . . . . ?
C103 C104 C105 C106 -56.8(4) . . . . ?
N7 C101 C106 C105 -177.9(2) . . . . ?
C102 C101 C106 C105 -56.0(3) . . . . ?
C104 C105 C106 C101 57.8(3) . . . . ?
P3 N8 C111 C116 162.89(18) . . . . ?
P3 N8 C111 C112 -73.0(3) . . . . ?
N8 C111 C112 C113 178.8(2) . . . . ?
C116 C111 C112 C113 -58.0(3) . . . . ?
C111 C112 C113 C114 59.1(3) . . . . ?
C112 C113 C114 C115 -57.5(3) . . . . ?
C113 C114 C115 C116 55.0(3) . . . . ?
N8 C111 C116 C115 179.3(2) . . . . ?
C112 C111 C116 C115 54.2(3) . . . . ?
C114 C115 C116 C111 -53.0(3) . . . . ?
P3 N9 C121 C126 -131.8(2) . . . . ?
P3 N9 C121 C122 103.8(2) . . . . ?
N9 C121 C122 C123 179.6(2) . . . . ?
C126 C121 C122 C123 55.0(3) . . . . ?
C121 C122 C123 C124 -55.8(3) . . . . ?
C122 C123 C124 C125 56.0(4) . . . . ?
C123 C124 C125 C126 -55.9(3) . . . . ?
C124 C125 C126 C121 55.9(3) . . . . ?
N9 C121 C126 C125 179.8(2) . . . . ?
C122 C121 C126 C125 -55.3(3) . . . . ?
Cl1 C201 C202 Cl2 14.0(16) . . . . ?
Cl1' C203 C204 Cl2' 26(6) . . . . ?
