#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/16/7001669.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_7001669
loop_
_publ_author_name
'Chandrasekaran, P.'
'Mague, Joel T.'
'Balakrishna, Maravanji S.'
_publ_section_title
;
 Gold(i) complexes of cyclodiphosphazanes cis-{RP(μ-NtBu)}2: structure
 of a novel tetranuclear gold(i) macrocycle,
 [{Au{(o-MeOC6H4O)P(μ-NtBu)}2}4](ClO4)4
;
_journal_issue                   28
_journal_name_full               'Dalton Transactions'
_journal_page_first              5478
_journal_page_last               5486
_journal_paper_doi               10.1039/b903075a
_journal_year                    2009
_chemical_formula_moiety         'C23 H33.50 Au2 Br2 N2.50 O4 P2'
_chemical_formula_sum            'C23 H33.5 Au2 Br2 N2.5 O4 P2'
_chemical_formula_weight         1024.72
_chemical_name_common
;
(1,3-di-tert-butyl-2,4-bis(2-methoxyphenoxy)-2,4-bis
(bromogold(i))(1,3,2,4)-diazadiphosphetidine) Acetonitrile Solvate
;
_chemical_name_systematic
;
(1,3-di-tert-butyl-2,4-bis(2-methoxyphenoxy)-2,4-bis
(bromogold(I))[1,3,2,4]-diazadiphosphetidine)
Acetonitrile Solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.171(1)
_cell_angle_beta                 94.040(1)
_cell_angle_gamma                105.252(1)
_cell_formula_units_Z            4
_cell_length_a                   11.6834(6)
_cell_length_b                   12.5944(6)
_cell_length_c                   21.734(10)
_cell_measurement_reflns_used    9188
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.25
_cell_measurement_theta_min      2.17
_cell_volume                     2989.1(14)
_computing_cell_refinement       'Bruker APEX2 (Bruker-AXS, 2006)'
_computing_data_collection       'Bruker APEX2 (Bruker-AXS, 2006)'
_computing_data_reduction        'Bruker SAINT+ (Bruker-AXS, 2006a)'
_computing_molecular_graphics    'Bruker APEX2 (Bruker-AXS, 2006)'
_computing_publication_material  'Bruker APEX2 (Bruker-AXS, 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker-AXS Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0385
_diffrn_reflns_av_sigmaI/netI    0.0377
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            52303
_diffrn_reflns_theta_full        28.10
_diffrn_reflns_theta_max         28.10
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    12.617
_exptl_absorpt_correction_T_max  0.5181
_exptl_absorpt_correction_T_min  0.2437
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2004)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.277
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1916
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.176
_refine_diff_density_min         -1.925
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     657
_refine_ls_number_reflns         14439
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0260
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0218P)²+8.4698P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0561
_refine_ls_wR_factor_ref         0.0601
_reflns_number_gt                12273
_reflns_number_total             14439
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b903075a.txt
_cod_data_source_block           msb324_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C23 H33.50 Au2 Br2 N2.50 O4 P2'
_cod_database_code               7001669
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.641042(16) 0.376269(15) 0.883848(8) 0.01423(4) Uani 1 1 d . . .
Au2 Au 0.298447(15) 0.320161(14) 0.689006(8) 0.01097(4) Uani 1 1 d . . .
Br1 Br 0.69670(6) 0.25995(5) 0.94738(3) 0.03398(14) Uani 1 1 d . . .
Br2 Br 0.15333(4) 0.15544(4) 0.62544(2) 0.02282(11) Uani 1 1 d . . .
P1 P 0.59365(10) 0.49760(10) 0.83383(5) 0.0110(2) Uani 1 1 d . . .
P2 P 0.43338(10) 0.47475(10) 0.74542(5) 0.0103(2) Uani 1 1 d . . .
O1 O 0.6863(3) 0.6183(3) 0.86713(15) 0.0146(7) Uani 1 1 d . . .
O2 O 0.6862(3) 0.7484(3) 0.97840(16) 0.0234(8) Uani 1 1 d . . .
O3 O 0.4285(3) 0.5877(3) 0.72293(15) 0.0134(6) Uani 1 1 d . . .
O4 O 0.1932(3) 0.5421(3) 0.72490(15) 0.0180(7) Uani 1 1 d . . .
N1 N 0.5788(3) 0.4777(3) 0.75429(17) 0.0120(8) Uani 1 1 d . . .
N2 N 0.4533(3) 0.5081(3) 0.82532(17) 0.0101(7) Uani 1 1 d . . .
C1 C 0.6489(4) 0.4285(4) 0.7071(2) 0.0151(10) Uani 1 1 d . . .
C2 C 0.7801(4) 0.4677(5) 0.7368(2) 0.0250(12) Uani 1 1 d . . .
H2A H 0.8079 0.5507 0.7480 0.037 Uiso 1 1 calc R . .
H2B H 0.8286 0.4382 0.7063 0.037 Uiso 1 1 calc R . .
H2C H 0.7877 0.4394 0.7751 0.037 Uiso 1 1 calc R . .
C3 C 0.6030(4) 0.2994(4) 0.6899(2) 0.0187(10) Uani 1 1 d . . .
H3A H 0.6073 0.2714 0.7285 0.028 Uiso 1 1 calc R . .
H3B H 0.6525 0.2683 0.6605 0.028 Uiso 1 1 calc R . .
H3C H 0.5198 0.2756 0.6696 0.028 Uiso 1 1 calc R . .
C4 C 0.6361(4) 0.4754(4) 0.6486(2) 0.0200(10) Uani 1 1 d . . .
H4A H 0.5515 0.4525 0.6306 0.030 Uiso 1 1 calc R . .
H4B H 0.6825 0.4455 0.6170 0.030 Uiso 1 1 calc R . .
H4C H 0.6659 0.5582 0.6607 0.030 Uiso 1 1 calc R . .
C5 C 0.3657(4) 0.5189(4) 0.8726(2) 0.0119(9) Uani 1 1 d . . .
C6 C 0.3374(4) 0.6310(4) 0.8766(2) 0.0155(9) Uani 1 1 d . . .
H6A H 0.4121 0.6929 0.8864 0.023 Uiso 1 1 calc R . .
H6B H 0.2870 0.6426 0.9101 0.023 Uiso 1 1 calc R . .
H6C H 0.2949 0.6298 0.8358 0.023 Uiso 1 1 calc R . .
C7 C 0.2531(4) 0.4205(4) 0.8506(2) 0.0166(10) Uani 1 1 d . . .
H7A H 0.2156 0.4240 0.8096 0.025 Uiso 1 1 calc R . .
H7B H 0.1972 0.4250 0.8820 0.025 Uiso 1 1 calc R . .
H7C H 0.2738 0.3490 0.8461 0.025 Uiso 1 1 calc R . .
C8 C 0.4254(4) 0.5158(4) 0.9367(2) 0.0172(10) Uani 1 1 d . . .
H8A H 0.4371 0.4409 0.9343 0.026 Uiso 1 1 calc R . .
H8B H 0.3743 0.5309 0.9694 0.026 Uiso 1 1 calc R . .
H8C H 0.5031 0.5736 0.9477 0.026 Uiso 1 1 calc R . .
C9 C 0.6655(4) 0.7241(4) 0.8683(2) 0.0152(9) Uani 1 1 d . . .
C10 C 0.6508(4) 0.7605(4) 0.8131(2) 0.0188(10) Uani 1 1 d . . .
H10 H 0.6554 0.7146 0.7732 0.023 Uiso 1 1 calc R . .
C11 C 0.6293(5) 0.8641(5) 0.8168(3) 0.0269(12) Uani 1 1 d . . .
H11 H 0.6185 0.8897 0.7793 0.032 Uiso 1 1 calc R . .
C12 C 0.6236(5) 0.9305(4) 0.8753(3) 0.0261(12) Uani 1 1 d . . .
H12 H 0.6059 1.0005 0.8775 0.031 Uiso 1 1 calc R . .
C13 C 0.6436(5) 0.8960(4) 0.9308(3) 0.0233(11) Uani 1 1 d . . .
H13 H 0.6426 0.9438 0.9708 0.028 Uiso 1 1 calc R . .
C14 C 0.6650(4) 0.7916(4) 0.9279(2) 0.0172(10) Uani 1 1 d . . .
C15 C 0.6811(6) 0.8144(5) 1.0403(2) 0.0332(14) Uani 1 1 d . . .
H15A H 0.7368 0.8903 1.0471 0.050 Uiso 1 1 calc R . .
H15B H 0.7033 0.7774 1.0728 0.050 Uiso 1 1 calc R . .
H15C H 0.5995 0.8203 1.0431 0.050 Uiso 1 1 calc R . .
C16 C 0.3535(4) 0.5795(4) 0.6671(2) 0.0160(10) Uani 1 1 d . . .
C17 C 0.4039(5) 0.6030(4) 0.6143(2) 0.0217(11) Uani 1 1 d . . .
H17 H 0.4884 0.6243 0.6151 0.026 Uiso 1 1 calc R . .
C18 C 0.3288(6) 0.5948(5) 0.5596(3) 0.0315(13) Uani 1 1 d . . .
H18 H 0.3617 0.6092 0.5224 0.038 Uiso 1 1 calc R . .
C19 C 0.2068(5) 0.5659(5) 0.5598(2) 0.0280(13) Uani 1 1 d . . .
H19 H 0.1561 0.5592 0.5222 0.034 Uiso 1 1 calc R . .
C20 C 0.1566(5) 0.5463(4) 0.6134(2) 0.0222(11) Uani 1 1 d . . .
H20 H 0.0721 0.5265 0.6127 0.027 Uiso 1 1 calc R . .
C21 C 0.2307(4) 0.5557(4) 0.6685(2) 0.0156(9) Uani 1 1 d . . .
C22 C 0.0671(4) 0.5211(5) 0.7281(3) 0.0250(12) Uani 1 1 d . . .
H22A H 0.0402 0.5827 0.7166 0.037 Uiso 1 1 calc R . .
H22B H 0.0513 0.5172 0.7713 0.037 Uiso 1 1 calc R . .
H22C H 0.0237 0.4491 0.6984 0.037 Uiso 1 1 calc R . .
Au3 Au 0.837672(15) 1.123240(15) 0.612292(8) 0.01241(4) Uani 1 1 d . . .
Au4 Au 1.189843(15) 1.065682(15) 0.762669(8) 0.01205(4) Uani 1 1 d . . .
Br4 Br 1.39782(4) 1.16513(4) 0.79835(2) 0.02056(10) Uani 1 1 d . . .
Br3 Br 0.84484(5) 1.27937(5) 0.56454(2) 0.02397(11) Uani 1 1 d . . .
P3 P 0.83350(10) 0.99131(10) 0.66587(5) 0.0110(2) Uani 1 1 d . . .
P4 P 0.99917(10) 0.96586(10) 0.73508(5) 0.0116(2) Uani 1 1 d . . .
O5 O 0.7015(3) 0.9085(3) 0.66363(15) 0.0146(7) Uani 1 1 d . . .
O6 O 0.6375(3) 0.8021(3) 0.54225(16) 0.0269(9) Uani 1 1 d . . .
O7 O 0.9633(3) 0.8589(3) 0.76678(15) 0.0154(7) Uani 1 1 d . . .
O8 O 1.1801(3) 0.8204(3) 0.76832(17) 0.0216(8) Uani 1 1 d . . .
N3 N 0.8942(3) 1.0358(3) 0.74349(17) 0.0103(7) Uani 1 1 d . . .
N4 N 0.9310(3) 0.9133(3) 0.66051(17) 0.0115(8) Uani 1 1 d . . .
C23 C 0.9001(4) 1.1456(4) 0.7885(2) 0.0148(9) Uani 1 1 d . . .
C24 C 0.9367(5) 1.1364(5) 0.8555(2) 0.0221(11) Uani 1 1 d . . .
H24A H 0.8799 1.0710 0.8648 0.033 Uiso 1 1 calc R . .
H24B H 0.9365 1.2056 0.8862 0.033 Uiso 1 1 calc R . .
H24C H 1.0172 1.1266 0.8586 0.033 Uiso 1 1 calc R . .
C25 C 0.9897(4) 1.2442(4) 0.7724(2) 0.0198(10) Uani 1 1 d . . .
H25A H 1.0685 1.2306 0.7733 0.030 Uiso 1 1 calc R . .
H25B H 0.9946 1.3143 0.8037 0.030 Uiso 1 1 calc R . .
H25C H 0.9637 1.2511 0.7299 0.030 Uiso 1 1 calc R . .
C26 C 0.7758(4) 1.1623(4) 0.7832(2) 0.0171(10) Uani 1 1 d . . .
H26A H 0.7507 1.1628 0.7393 0.026 Uiso 1 1 calc R . .
H26B H 0.7775 1.2346 0.8115 0.026 Uiso 1 1 calc R . .
H26C H 0.7191 1.1002 0.7954 0.026 Uiso 1 1 calc R . .
C27 C 0.9547(4) 0.8295(4) 0.6062(2) 0.0143(9) Uani 1 1 d . . .
C28 C 1.0847(4) 0.8281(4) 0.6188(2) 0.0206(11) Uani 1 1 d . . .
H28A H 1.1381 0.9045 0.6235 0.031 Uiso 1 1 calc R . .
H28B H 1.1029 0.7758 0.5832 0.031 Uiso 1 1 calc R . .
H28C H 1.0962 0.8030 0.6580 0.031 Uiso 1 1 calc R . .
C29 C 0.8699(5) 0.7132(4) 0.6031(2) 0.0232(11) Uani 1 1 d . . .
H29A H 0.8846 0.6912 0.6430 0.035 Uiso 1 1 calc R . .
H29B H 0.8836 0.6575 0.5677 0.035 Uiso 1 1 calc R . .
H29C H 0.7870 0.7160 0.5968 0.035 Uiso 1 1 calc R . .
C30 C 0.9356(4) 0.8673(4) 0.5447(2) 0.0180(10) Uani 1 1 d . . .
H30A H 0.8531 0.8711 0.5378 0.027 Uiso 1 1 calc R . .
H30B H 0.9501 0.8126 0.5090 0.027 Uiso 1 1 calc R . .
H30C H 0.9913 0.9422 0.5481 0.027 Uiso 1 1 calc R . .
C31 C 0.5994(4) 0.9215(4) 0.6311(2) 0.0155(10) Uani 1 1 d . . .
C32 C 0.5320(4) 0.9839(4) 0.6632(2) 0.0192(10) Uani 1 1 d . . .
H32 H 0.5556 1.0206 0.7069 0.023 Uiso 1 1 calc R . .
C33 C 0.4284(4) 0.9928(4) 0.6307(3) 0.0228(11) Uani 1 1 d . . .
H33 H 0.3814 1.0361 0.6521 0.027 Uiso 1 1 calc R . .
C34 C 0.3951(4) 0.9385(5) 0.5675(3) 0.0259(12) Uani 1 1 d . . .
H34 H 0.3245 0.9442 0.5456 0.031 Uiso 1 1 calc R . .
C35 C 0.4632(4) 0.8755(5) 0.5355(2) 0.0245(12) Uani 1 1 d . . .
H35 H 0.4400 0.8395 0.4917 0.029 Uiso 1 1 calc R . .
C36 C 0.5660(4) 0.8651(4) 0.5677(2) 0.0192(10) Uani 1 1 d . . .
C37 C 0.6094(5) 0.7486(6) 0.4759(3) 0.0379(16) Uani 1 1 d . . .
H37A H 0.5269 0.6992 0.4671 0.057 Uiso 1 1 calc R . .
H37B H 0.6643 0.7033 0.4637 0.057 Uiso 1 1 calc R . .
H37C H 0.6177 0.8066 0.4514 0.057 Uiso 1 1 calc R . .
C38 C 1.0266(4) 0.8595(4) 0.8244(2) 0.0164(10) Uani 1 1 d . . .
C39 C 0.9729(4) 0.8757(4) 0.8791(2) 0.0201(10) Uani 1 1 d . . .
H39 H 0.8953 0.8864 0.8772 0.024 Uiso 1 1 calc R . .
C40 C 1.0327(5) 0.8763(4) 0.9365(2) 0.0249(12) Uani 1 1 d . . .
H40 H 0.9964 0.8870 0.9743 0.030 Uiso 1 1 calc R . .
C41 C 1.1461(5) 0.8612(4) 0.9384(2) 0.0257(12) Uani 1 1 d . . .
H41 H 1.1878 0.8627 0.9778 0.031 Uiso 1 1 calc R . .
C42 C 1.1993(5) 0.8441(4) 0.8841(2) 0.0211(11) Uani 1 1 d . . .
H42 H 1.2772 0.8341 0.8864 0.025 Uiso 1 1 calc R . .
C43 C 1.1393(4) 0.8412(4) 0.8253(2) 0.0157(10) Uani 1 1 d . . .
C44 C 1.3068(5) 0.8329(5) 0.7685(3) 0.0278(12) Uani 1 1 d . . .
H44A H 1.3526 0.9059 0.7964 0.042 Uiso 1 1 calc R . .
H44B H 1.3269 0.8298 0.7252 0.042 Uiso 1 1 calc R . .
H44C H 1.3269 0.7713 0.7839 0.042 Uiso 1 1 calc R . .
C45 C 0.9495(5) 0.5511(5) 0.9257(3) 0.0332(14) Uani 1 1 d . . .
C46 C 0.9074(6) 0.6042(5) 0.9831(3) 0.0363(14) Uani 1 1 d . . .
H46A H 0.8415 0.6335 0.9710 0.054 Uiso 1 1 calc R . .
H46B H 0.9732 0.6667 1.0089 0.054 Uiso 1 1 calc R . .
H46C H 0.8794 0.5479 1.0077 0.054 Uiso 1 1 calc R . .
N5 N 0.9814(5) 0.5101(5) 0.8823(3) 0.0471(15) Uani 1 1 d . . .
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'
Br Br -0.2901 2.4595 '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'
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 Br1 174.26(3) . . ?
P2 Au2 Br2 178.35(3) . . ?
O1 P1 N2 110.73(18) . . ?
O1 P1 N1 110.54(19) . . ?
N2 P1 N1 83.81(18) . . ?
O1 P1 Au1 105.57(12) . . ?
N2 P1 Au1 121.63(14) . . ?
N1 P1 Au1 123.31(14) . . ?
O1 P1 P2 121.97(13) . . ?
N2 P1 P2 41.96(12) . . ?
N1 P1 P2 42.12(13) . . ?
Au1 P1 P2 132.45(6) . . ?
O3 P2 N2 107.33(18) . . ?
O3 P2 N1 106.41(18) . . ?
N2 P2 N1 83.64(18) . . ?
O3 P2 Au2 113.36(12) . . ?
N2 P2 Au2 122.30(14) . . ?
N1 P2 Au2 119.66(14) . . ?
O3 P2 P1 116.62(12) . . ?
N2 P2 P1 41.89(13) . . ?
N1 P2 P1 42.02(13) . . ?
Au2 P2 P1 129.97(6) . . ?
C9 O1 P1 125.0(3) . . ?
C14 O2 C15 117.1(4) . . ?
C16 O3 P2 120.0(3) . . ?
C21 O4 C22 116.7(4) . . ?
C1 N1 P1 130.2(3) . . ?
C1 N1 P2 129.0(3) . . ?
P1 N1 P2 95.86(19) . . ?
C5 N2 P1 131.5(3) . . ?
C5 N2 P2 131.2(3) . . ?
P1 N2 P2 96.16(19) . . ?
N1 C1 C4 107.7(4) . . ?
N1 C1 C3 110.5(4) . . ?
C4 C1 C3 110.8(4) . . ?
N1 C1 C2 107.7(4) . . ?
C4 C1 C2 109.6(4) . . ?
C3 C1 C2 110.5(4) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N2 C5 C7 108.9(4) . . ?
N2 C5 C6 108.6(4) . . ?
C7 C5 C6 110.7(4) . . ?
N2 C5 C8 107.6(3) . . ?
C7 C5 C8 110.4(4) . . ?
C6 C5 C8 110.5(4) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C14 121.8(5) . . ?
C10 C9 O1 121.7(4) . . ?
C14 C9 O1 116.5(4) . . ?
C11 C10 C9 119.3(5) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C11 C12 119.7(5) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C13 120.8(5) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C12 C13 C14 120.1(5) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
O2 C14 C13 125.9(4) . . ?
O2 C14 C9 116.0(4) . . ?
C13 C14 C9 118.1(5) . . ?
O2 C15 H15A 109.5 . . ?
O2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 121.6(4) . . ?
C17 C16 O3 119.5(4) . . ?
C21 C16 O3 118.8(4) . . ?
C16 C17 C18 118.9(5) . . ?
C16 C17 H17 120.6 . . ?
C18 C17 H17 120.6 . . ?
C19 C18 C17 119.6(5) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C18 C19 C20 121.4(5) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C19 C20 C21 119.4(5) . . ?
C19 C20 H20 120.3 . . ?
C21 C20 H20 120.3 . . ?
O4 C21 C16 115.8(4) . . ?
O4 C21 C20 125.4(4) . . ?
C16 C21 C20 118.9(5) . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
P3 Au3 Br3 174.18(3) . . ?
P4 Au4 Br4 175.57(3) . . ?
O5 P3 N4 108.44(18) . . ?
O5 P3 N3 106.48(18) . . ?
N4 P3 N3 83.80(18) . . ?
O5 P3 Au3 113.64(12) . . ?
N4 P3 Au3 123.05(14) . . ?
N3 P3 Au3 117.16(14) . . ?
O5 P3 P4 117.03(13) . . ?
N4 P3 P4 41.68(13) . . ?
N3 P3 P4 42.33(12) . . ?
Au3 P3 P4 129.08(6) . . ?
O7 P4 N4 103.31(18) . . ?
O7 P4 N3 109.21(19) . . ?
N4 P4 N3 84.58(18) . . ?
O7 P4 Au4 112.85(12) . . ?
N4 P4 Au4 125.02(14) . . ?
N3 P4 Au4 118.09(14) . . ?
O7 P4 P3 115.47(13) . . ?
N4 P4 P3 42.10(13) . . ?
N3 P4 P3 42.69(12) . . ?
Au4 P4 P3 131.67(6) . . ?
C31 O5 P3 122.2(3) . . ?
C36 O6 C37 117.1(4) . . ?
C38 O7 P4 120.8(3) . . ?
C43 O8 C44 117.7(4) . . ?
C23 N3 P4 129.0(3) . . ?
C23 N3 P3 127.3(3) . . ?
P4 N3 P3 94.99(18) . . ?
C27 N4 P4 131.3(3) . . ?
C27 N4 P3 132.4(3) . . ?
P4 N4 P3 96.22(19) . . ?
N3 C23 C25 111.1(4) . . ?
N3 C23 C26 107.7(3) . . ?
C25 C23 C26 109.9(4) . . ?
N3 C23 C24 107.9(4) . . ?
C25 C23 C24 110.2(4) . . ?
C26 C23 C24 110.0(4) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N4 C27 C29 108.4(4) . . ?
N4 C27 C28 108.2(3) . . ?
C29 C27 C28 110.2(4) . . ?
N4 C27 C30 108.9(4) . . ?
C29 C27 C30 111.4(4) . . ?
C28 C27 C30 109.8(4) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C36 121.7(4) . . ?
C32 C31 O5 119.9(4) . . ?
C36 C31 O5 118.3(4) . . ?
C31 C32 C33 119.2(5) . . ?
C31 C32 H32 120.4 . . ?
C33 C32 H32 120.4 . . ?
C34 C33 C32 119.7(5) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C33 C34 C35 120.8(5) . . ?
C33 C34 H34 119.6 . . ?
C35 C34 H34 119.6 . . ?
C34 C35 C36 119.9(5) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
O6 C36 C31 115.9(4) . . ?
O6 C36 C35 125.4(4) . . ?
C31 C36 C35 118.6(5) . . ?
O6 C37 H37A 109.5 . . ?
O6 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
O6 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 C43 121.6(4) . . ?
C39 C38 O7 118.4(4) . . ?
C43 C38 O7 120.0(4) . . ?
C38 C39 C40 119.7(5) . . ?
C38 C39 H39 120.1 . . ?
C40 C39 H39 120.1 . . ?
C41 C40 C39 119.3(5) . . ?
C41 C40 H40 120.4 . . ?
C39 C40 H40 120.4 . . ?
C42 C41 C40 121.2(5) . . ?
C42 C41 H41 119.4 . . ?
C40 C41 H41 119.4 . . ?
C41 C42 C43 120.4(5) . . ?
C41 C42 H42 119.8 . . ?
C43 C42 H42 119.8 . . ?
O8 C43 C38 116.4(4) . . ?
O8 C43 C42 125.9(5) . . ?
C38 C43 C42 117.8(5) . . ?
O8 C44 H44A 109.5 . . ?
O8 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O8 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
N5 C45 C46 179.5(7) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
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 P1 2.2099(12) . ?
Au1 Br1 2.3881(6) . ?
Au2 P2 2.2103(11) . ?
Au2 Br2 2.3870(5) . ?
P1 O1 1.602(3) . ?
P1 N2 1.680(4) . ?
P1 N1 1.683(4) . ?
P1 P2 2.5015(15) . ?
P2 O3 1.612(3) . ?
P2 N2 1.682(4) . ?
P2 N1 1.687(4) . ?
O1 C9 1.412(6) . ?
O2 C14 1.360(6) . ?
O2 C15 1.439(6) . ?
O3 C16 1.414(5) . ?
O4 C21 1.359(6) . ?
O4 C22 1.436(5) . ?
N1 C1 1.491(6) . ?
N2 C5 1.512(5) . ?
C1 C4 1.523(7) . ?
C1 C3 1.526(7) . ?
C1 C2 1.529(6) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C7 1.516(6) . ?
C5 C6 1.519(6) . ?
C5 C8 1.527(6) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.386(6) . ?
C9 C14 1.393(6) . ?
C10 C11 1.379(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.383(8) . ?
C11 H11 0.9500 . ?
C12 C13 1.391(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.391(7) . ?
C13 H13 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.378(7) . ?
C16 C21 1.390(7) . ?
C17 C18 1.397(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.375(8) . ?
C18 H18 0.9500 . ?
C19 C20 1.381(7) . ?
C19 H19 0.9500 . ?
C20 C21 1.393(6) . ?
C20 H20 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
Au3 P3 2.2136(12) . ?
Au3 Br3 2.3952(6) . ?
Au4 P4 2.2188(12) . ?
Au4 Br4 2.4079(5) . ?
P3 O5 1.609(3) . ?
P3 N4 1.683(4) . ?
P3 N3 1.699(4) . ?
P3 P4 2.4963(16) . ?
P4 O7 1.612(3) . ?
P4 N4 1.670(4) . ?
P4 N3 1.687(4) . ?
O5 C31 1.407(5) . ?
O6 C36 1.365(6) . ?
O6 C37 1.431(6) . ?
O7 C38 1.406(5) . ?
O8 C43 1.356(6) . ?
O8 C44 1.447(6) . ?
N3 C23 1.498(5) . ?
N4 C27 1.503(6) . ?
C23 C25 1.519(7) . ?
C23 C26 1.521(6) . ?
C23 C24 1.526(6) . ?
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 C29 1.522(7) . ?
C27 C28 1.529(6) . ?
C27 C30 1.531(6) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.378(7) . ?
C31 C36 1.385(6) . ?
C32 C33 1.401(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.375(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.387(8) . ?
C34 H34 0.9500 . ?
C35 C36 1.397(7) . ?
C35 H35 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.385(7) . ?
C38 C43 1.395(7) . ?
C39 C40 1.385(7) . ?
C39 H39 0.9500 . ?
C40 C41 1.386(8) . ?
C40 H40 0.9500 . ?
C41 C42 1.376(8) . ?
C41 H41 0.9500 . ?
C42 C43 1.403(6) . ?
C42 H42 0.9500 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 N5 1.113(8) . ?
C45 C46 1.467(9) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
