#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:30:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179381 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/78/4327805.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_4327805
loop_
_publ_author_name
'Xiu-Ling Li'
'Ming Tan'
'Ke-Juan Zhang'
'Bo Yang'
'Jie Chen'
'Yu-Bo Ai'
_publ_section_title
;
 Dual Luminescent Tetranuclear Organogold(I) Macrocycles of
 5,5'-Diethynyl-2,2'-bipyridine and Their Efficient Sensitization of
 Yb(III) Luminescence
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              109
_journal_page_last               118
_journal_paper_doi               10.1021/ic201741h
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C102 H92 Au4 Cl4 N6 O2 P4'
_chemical_formula_weight         2487.36
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.79(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.013(5)
_cell_length_b                   22.507(5)
_cell_length_c                   21.968(4)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5126
_cell_measurement_theta_min      3.1352
_cell_volume                     10066(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_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  0.0707
_diffrn_reflns_av_sigmaI/netI    0.1114
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            23192
_diffrn_reflns_theta_full        24.50
_diffrn_reflns_theta_max         24.50
_diffrn_reflns_theta_min         3.22
_exptl_absorpt_coefficient_mu    6.031
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.3811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.64 (release 22-03-2010 CrysAlis171 .NET)
(compiled Mar 22 2010,13:57:49)
empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_description       block
_exptl_crystal_F_000             4824
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.533
_refine_diff_density_min         -1.093
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         8053
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.1162
_refine_ls_R_factor_gt           0.0785
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0867P)²+29.2053P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1720
_refine_ls_wR_factor_ref         0.1947
_reflns_number_gt                5607
_reflns_number_total             8053
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201741h_si_003.cif
_cod_data_source_block           2
_cod_original_cell_volume        10066(3)
_cod_database_code               4327805
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.83953(3) 0.52822(3) 0.80242(3) 0.0654(2) Uani 1 1 d . A .
P1 P 0.8256(2) 0.61012(17) 0.7362(2) 0.0605(10) Uani 1 1 d . . .
C1 C 0.8423(9) 0.4525(7) 0.8529(9) 0.074(4) Uani 1 1 d . . .
C51 C 1.2340(14) 0.5611(14) 0.5692(14) 0.151(11) Uani 1 1 d . . .
H51A H 1.2815 0.5590 0.5959 0.181 Uiso 1 1 calc R . .
H51B H 1.2151 0.5343 0.5897 0.181 Uiso 1 1 calc R . .
N1 N 0.9110(7) 0.2651(5) 0.9697(6) 0.070(3) Uani 1 1 d . . .
Cl1 Cl 1.2086(7) 0.6310(5) 0.5705(8) 0.284(8) Uani 1 1 d . . .
O1W O 1.0367(8) 0.5593(8) 0.5102(9) 0.000(4) Uiso 0.25 1 d P . .
H11A H 1.0140 0.5473 0.5314 0.000 Uiso 0.25 1 d PR . .
H11B H 1.0376 0.5271 0.4884 0.000 Uiso 0.25 1 d PR . .
Au2 Au 0.57762(3) 0.58602(2) 0.78058(3) 0.0577(2) Uani 1 1 d . . .
P2 P 0.58160(18) 0.66220(16) 0.71426(19) 0.0575(9) Uani 1 1 d . . .
C2 C 0.8429(10) 0.4063(6) 0.8792(8) 0.077(5) Uani 1 1 d . A .
N2 N 0.8178(7) 0.1562(5) 1.0077(6) 0.070(3) Uani 1 1 d . A .
Cl2 Cl 1.2112(10) 0.5410(12) 0.4886(8) 0.418(17) Uani 1 1 d . . .
O2W O 1.051(2) 0.2387(18) 0.312(2) 0.077(12) Uiso 0.25 1 d P . .
H11C H 1.0418 0.2438 0.2648 0.092 Uiso 0.25 1 d PR . .
H11D H 1.0964 0.2430 0.3480 0.092 Uiso 0.25 1 d PR . .
C3 C 0.8471(8) 0.3508(7) 0.9096(7) 0.065(4) Uani 1 1 d . . .
N3 N 0.6768(8) 0.4441(6) 0.7714(8) 0.089(4) Uani 1 1 d . . .
H3A H 0.6510 0.4466 0.7896 0.106 Uiso 1 1 calc R . .
H3B H 0.7166 0.4320 0.7956 0.106 Uiso 1 1 calc R . .
O3W O 1.0000 0.146(2) 0.2500 0.34(3) Uiso 1 2 d S . .
H11E H 1.0228 0.1254 0.2363 0.402 Uiso 1 1 d R . .
C4 C 0.7928(8) 0.3215(7) 0.9104(7) 0.065(4) Uani 1 1 d . A .
H4A H 0.7518 0.3399 0.8902 0.077 Uiso 1 1 calc R . .
C5 C 0.7993(7) 0.2663(6) 0.9405(8) 0.062(4) Uani 1 1 d . . .
H5A H 0.7628 0.2476 0.9394 0.074 Uiso 1 1 calc R A .
C6 C 0.8564(9) 0.2405(6) 0.9705(8) 0.070(4) Uani 1 1 d . A .
C7 C 0.9065(7) 0.3186(5) 0.9396(7) 0.058(4) Uani 1 1 d . A .
H7A H 0.9434 0.3344 0.9386 0.070 Uiso 1 1 calc R . .
C8 C 0.8692(8) 0.1833(6) 1.0071(7) 0.061(4) Uani 1 1 d . . .
C9 C 0.9281(6) 0.1578(5) 1.0355(7) 0.051(3) Uani 1 1 d . A .
H9A H 0.9616 0.1752 1.0294 0.062 Uiso 1 1 calc R . .
C10 C 0.9411(6) 0.1067(5) 1.0735(7) 0.051(3) Uani 1 1 d . . .
H10A H 0.9833 0.0909 1.0955 0.062 Uiso 1 1 calc R A .
C11 C 0.8900(6) 0.0797(5) 1.0781(7) 0.051(3) Uani 1 1 d . A .
C12 C 0.8280(7) 0.1056(6) 1.0430(7) 0.058(4) Uani 1 1 d . . .
H12A H 0.7924 0.0870 1.0442 0.070 Uiso 1 1 calc R A .
C13 C 0.9006(8) 0.0259(7) 1.1221(10) 0.074(4) Uani 1 1 d . . .
C14 C 0.5883(8) 0.5179(8) 0.8415(9) 0.074(4) Uani 1 1 d . . .
C15 C 0.5055(4) 0.6898(4) 0.6437(4) 0.061(4) Uani 1 1 d G . .
C16 C 0.4891(5) 0.7497(4) 0.6338(5) 0.081(5) Uani 1 1 d G . .
H16A H 0.5160 0.7776 0.6658 0.097 Uiso 1 1 calc R . .
C17 C 0.4326(5) 0.7680(4) 0.5760(6) 0.085(5) Uani 1 1 d G . .
H17A H 0.4216 0.8081 0.5694 0.102 Uiso 1 1 calc R . .
C18 C 0.3925(5) 0.7263(6) 0.5281(5) 0.096(6) Uani 1 1 d G . .
H18A H 0.3547 0.7386 0.4895 0.115 Uiso 1 1 calc R . .
C19 C 0.4089(5) 0.6664(5) 0.5380(5) 0.082(5) Uani 1 1 d G . .
H19A H 0.3821 0.6385 0.5060 0.098 Uiso 1 1 calc R . .
C20 C 0.4654(5) 0.6481(3) 0.5958(5) 0.073(4) Uani 1 1 d G . .
H20A H 0.4764 0.6080 0.6024 0.088 Uiso 1 1 calc R . .
C21 C 0.6281(5) 0.7256(4) 0.7647(5) 0.068(4) Uani 1 1 d G . .
C22 C 0.6495(6) 0.7693(5) 0.7351(5) 0.087(5) Uani 1 1 d G . .
H22A H 0.6355 0.7689 0.6880 0.105 Uiso 1 1 calc R . .
C23 C 0.6918(7) 0.8136(4) 0.7760(6) 0.110(7) Uani 1 1 d G . .
H23A H 0.7061 0.8429 0.7561 0.131 Uiso 1 1 calc R . .
C24 C 0.7127(6) 0.8142(4) 0.8464(6) 0.090(5) Uani 1 1 d G . .
H24A H 0.7410 0.8439 0.8737 0.108 Uiso 1 1 calc R . .
C25 C 0.6913(6) 0.7705(5) 0.8760(4) 0.090(5) Uani 1 1 d G . .
H25A H 0.7052 0.7709 0.9231 0.108 Uiso 1 1 calc R . .
C26 C 0.6490(5) 0.7262(4) 0.8352(5) 0.069(4) Uani 1 1 d G . .
H26A H 0.6347 0.6969 0.8550 0.083 Uiso 1 1 calc R . .
C27 C 0.8514(6) 0.6805(4) 0.7826(5) 0.071(4) Uani 1 1 d G A .
C28 C 0.8267(6) 0.7346(5) 0.7503(5) 0.095(6) Uani 1 1 d G . .
H28A H 0.7959 0.7355 0.7040 0.114 Uiso 1 1 calc R A .
C29 C 0.8479(7) 0.7872(4) 0.7873(7) 0.111(7) Uani 1 1 d G A .
H29A H 0.8313 0.8234 0.7657 0.134 Uiso 1 1 calc R . .
C30 C 0.8938(7) 0.7858(5) 0.8565(7) 0.099(6) Uani 1 1 d G . .
H30A H 0.9080 0.8210 0.8812 0.119 Uiso 1 1 calc R A .
C31 C 0.9186(6) 0.7317(6) 0.8887(5) 0.108(7) Uani 1 1 d G A .
H31A H 0.9493 0.7308 0.9350 0.129 Uiso 1 1 calc R . .
C32 C 0.8974(6) 0.6791(4) 0.8518(5) 0.084(5) Uani 1 1 d G . .
H32A H 0.9140 0.6429 0.8734 0.100 Uiso 1 1 calc R A .
C33 C 0.8662(19) 0.6080(19) 0.684(2) 0.081(5) Uiso 0.50 1 d PG A 1
C34 C 0.8599(19) 0.6538(15) 0.639(2) 0.174(18) Uiso 0.50 1 d PG A 1
H34A H 0.8319 0.6855 0.6335 0.208 Uiso 0.50 1 calc PR A 1
C35 C 0.895(2) 0.6522(17) 0.602(2) 0.157(16) Uiso 0.50 1 d PG A 1
H35A H 0.8911 0.6829 0.5721 0.188 Uiso 0.50 1 calc PR A 1
C36 C 0.937(2) 0.605(2) 0.611(2) 0.150(10) Uiso 0.50 1 d PG A 1
H36A H 0.9608 0.6037 0.5860 0.181 Uiso 0.50 1 calc PR A 1
C37 C 0.9435(19) 0.5590(16) 0.656(2) 0.144(14) Uiso 0.50 1 d PG A 1
H37A H 0.9714 0.5273 0.6613 0.173 Uiso 0.50 1 calc PR A 1
C38 C 0.908(2) 0.5606(15) 0.693(2) 0.151(15) Uiso 0.50 1 d PG A 1
H38A H 0.9123 0.5299 0.7227 0.181 Uiso 0.50 1 calc PR A 1
C33' C 0.868(2) 0.6010(18) 0.683(2) 0.081(5) Uiso 0.50 1 d PG A 2
C34' C 0.8394(16) 0.6193(18) 0.615(2) 0.174(18) Uiso 0.50 1 d PG A 2
H34B H 0.7959 0.6319 0.5935 0.208 Uiso 0.50 1 calc PR A 2
C35' C 0.876(2) 0.6189(18) 0.5793(17) 0.157(16) Uiso 0.50 1 d PG A 2
H35B H 0.8564 0.6311 0.5336 0.188 Uiso 0.50 1 calc PR A 2
C36' C 0.941(2) 0.6002(18) 0.612(2) 0.150(10) Uiso 0.50 1 d PG A 2
H36B H 0.9650 0.5999 0.5877 0.181 Uiso 0.50 1 calc PR A 2
C37' C 0.9695(15) 0.5819(17) 0.680(2) 0.144(14) Uiso 0.50 1 d PG A 2
H37B H 1.0130 0.5693 0.7016 0.173 Uiso 0.50 1 calc PR A 2
C38' C 0.933(2) 0.5823(16) 0.7159(17) 0.151(15) Uiso 0.50 1 d PG A 2
H38B H 0.9525 0.5701 0.7615 0.181 Uiso 0.50 1 calc PR A 2
C39 C 0.6540(7) 0.4596(6) 0.7018(8) 0.064(4) Uani 1 1 d . . .
C40 C 0.5916(9) 0.4787(7) 0.6626(9) 0.074(5) Uani 1 1 d . . .
H40A H 0.564(8) 0.484(7) 0.685(9) 0.089 Uiso 1 1 d . . .
C41 C 0.5715(8) 0.4909(7) 0.5939(9) 0.074(5) Uani 1 1 d . . .
H41A H 0.5287 0.5038 0.5663 0.089 Uiso 1 1 calc R . .
C42 C 0.6147(10) 0.4841(7) 0.5643(9) 0.085(5) Uani 1 1 d . . .
H42A H 0.6011 0.4936 0.5184 0.101 Uiso 1 1 calc R . .
C43 C 0.6780(10) 0.4629(7) 0.6064(11) 0.088(5) Uani 1 1 d . . .
H43A H 0.7071 0.4565 0.5887 0.106 Uiso 1 1 calc R . .
C44 C 0.6959(9) 0.4520(6) 0.6725(10) 0.074(5) Uani 1 1 d . . .
H44A H 0.7384 0.4387 0.7005 0.089 Uiso 1 1 calc R . .
C45 C 0.7395(6) 0.6193(6) 0.6771(7) 0.056(3) Uani 1 1 d . A .
H45A H 0.7333 0.6541 0.6487 0.068 Uiso 1 1 calc R . .
H45B H 0.7236 0.5849 0.6472 0.068 Uiso 1 1 calc R . .
C46 C 0.6996(7) 0.6265(7) 0.7179(8) 0.063(4) Uani 1 1 d . . .
H46A H 0.7187 0.6581 0.7515 0.075 Uiso 1 1 calc R A .
H46B H 0.7021 0.5899 0.7425 0.075 Uiso 1 1 calc R . .
C47 C 0.6248(7) 0.6416(6) 0.6675(7) 0.061(4) Uani 1 1 d . A .
H47A H 0.6038 0.6072 0.6391 0.073 Uiso 1 1 calc R . .
H47B H 0.6226 0.6739 0.6373 0.073 Uiso 1 1 calc R . .
C48 C 0.512(2) 0.9097(15) 0.686(2) 0.224(14) Uani 1 1 d DU . .
H48A H 0.5173 0.9095 0.6466 0.269 Uiso 1 1 calc R . .
C49 C 0.5592(14) 0.9151(15) 0.755(2) 0.224(14) Uani 1 1 d DU . .
H49A H 0.6023 0.9252 0.7669 0.269 Uiso 1 1 calc R . .
C50 C 0.5402(19) 0.9050(15) 0.806(2) 0.224(14) Uani 1 1 d DU . .
H50A H 0.5753 0.8908 0.8458 0.269 Uiso 1 1 calc R . .
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'
P P 0.1023 0.0942 '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'
O O 0.0106 0.0060 '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
C1 Au1 P1 173.7(5) . .
C33 P1 C45 105.7(14) . .
C33 P1 C27 104.5(14) . .
C45 P1 C27 105.4(6) . .
C33 P1 C33' 5(2) . .
C45 P1 C33' 106.8(15) . .
C27 P1 C33' 108.5(14) . .
C33 P1 Au1 115.3(14) . .
C45 P1 Au1 109.4(5) . .
C27 P1 Au1 115.7(4) . .
C33' P1 Au1 110.7(13) . .
C2 C1 Au1 176.3(15) . .
Cl2 C51 Cl1 109.5(17) . .
Cl2 C51 H51A 109.8 . .
Cl1 C51 H51A 109.8 . .
Cl2 C51 H51B 109.8 . .
Cl1 C51 H51B 109.8 . .
H51A C51 H51B 108.2 . .
C7 N1 C6 120.1(14) . .
H11A O1W H11B 101.8 . .
C14 Au2 P2 171.2(5) . .
C14 Au2 Au2 92.7(5) . 2_656
P2 Au2 Au2 95.86(10) . 2_656
C47 P2 C21 103.1(6) . .
C47 P2 C15 99.8(6) . .
C21 P2 C15 108.1(5) . .
C47 P2 Au2 111.7(5) . .
C21 P2 Au2 112.8(4) . .
C15 P2 Au2 119.4(4) . .
C1 C2 C3 176(2) . .
C12 N2 C8 118.5(13) . .
H11C O2W H11D 118.6 . .
C2 C3 C7 121.2(16) . .
C2 C3 C4 123.6(15) . .
C7 C3 C4 115.2(14) . .
C39 N3 H3A 120.0 . .
C39 N3 H3B 120.0 . .
H3A N3 H3B 120.0 . .
C5 C4 C3 121.4(15) . .
C5 C4 H4A 119.3 . .
C3 C4 H4A 119.3 . .
C6 C5 C4 120.2(15) . .
C6 C5 H5A 119.9 . .
C4 C5 H5A 119.9 . .
C5 C6 N1 121.6(14) . .
C5 C6 C8 124.4(16) . .
N1 C6 C8 114.0(14) . .
N1 C7 C3 121.3(15) . .
N1 C7 H7A 119.4 . .
C3 C7 H7A 119.4 . .
C9 C8 N2 120.8(12) . .
C9 C8 C6 122.3(15) . .
N2 C8 C6 116.8(14) . .
C8 C9 C10 122.3(14) . .
C8 C9 H9A 118.9 . .
C10 C9 H9A 118.9 . .
C11 C10 C9 117.8(12) . .
C11 C10 H10A 121.1 . .
C9 C10 H10A 121.1 . .
C10 C11 C12 117.8(12) . .
C10 C11 C13 121.3(12) . .
C12 C11 C13 120.9(13) . .
N2 C12 C11 122.4(15) . .
N2 C12 H12A 118.8 . .
C11 C12 H12A 118.8 . .
C14 C13 C11 177.6(17) 7_657 .
C13 C14 Au2 174.3(15) 7_657 .
C16 C15 C20 120.0 . .
C16 C15 P2 123.1(6) . .
C20 C15 P2 116.7(6) . .
C15 C16 C17 120.0 . .
C15 C16 H16A 120.0 . .
C17 C16 H16A 120.0 . .
C18 C17 C16 120.0 . .
C18 C17 H17A 120.0 . .
C16 C17 H17A 120.0 . .
C19 C18 C17 120.0 . .
C19 C18 H18A 120.0 . .
C17 C18 H18A 120.0 . .
C18 C19 C20 120.0 . .
C18 C19 H19A 120.0 . .
C20 C19 H19A 120.0 . .
C19 C20 C15 120.0 . .
C19 C20 H20A 120.0 . .
C15 C20 H20A 120.0 . .
C22 C21 C26 120.0 . .
C22 C21 P2 120.4(6) . .
C26 C21 P2 119.1(6) . .
C23 C22 C21 120.0 . .
C23 C22 H22A 120.0 . .
C21 C22 H22A 120.0 . .
C22 C23 C24 120.0 . .
C22 C23 H23A 120.0 . .
C24 C23 H23A 120.0 . .
C25 C24 C23 120.0 . .
C25 C24 H24A 120.0 . .
C23 C24 H24A 120.0 . .
C24 C25 C26 120.0 . .
C24 C25 H25A 120.0 . .
C26 C25 H25A 120.0 . .
C25 C26 C21 120.0 . .
C25 C26 H26A 120.0 . .
C21 C26 H26A 120.0 . .
C28 C27 C32 120.0 . .
C28 C27 P1 121.7(6) . .
C32 C27 P1 118.3(6) . .
C29 C28 C27 120.0 . .
C29 C28 H28A 120.0 . .
C27 C28 H28A 120.0 . .
C28 C29 C30 120.0 . .
C28 C29 H29A 120.0 . .
C30 C29 H29A 120.0 . .
C29 C30 C31 120.0 . .
C29 C30 H30A 120.0 . .
C31 C30 H30A 120.0 . .
C30 C31 C32 120.0 . .
C30 C31 H31A 120.0 . .
C32 C31 H31A 120.0 . .
C31 C32 C27 120.0 . .
C31 C32 H32A 120.0 . .
C27 C32 H32A 120.0 . .
C34 C33 C38 120.0 . .
C34 C33 P1 122(3) . .
C38 C33 P1 118(3) . .
C35 C34 C33 120.0 . .
C35 C34 H34A 120.0 . .
C33 C34 H34A 120.0 . .
C34 C35 C36 120.0 . .
C34 C35 H35A 120.0 . .
C36 C35 H35A 120.0 . .
C35 C36 C37 120.0 . .
C35 C36 H36A 120.0 . .
C37 C36 H36A 120.0 . .
C36 C37 C38 120.0 . .
C36 C37 H37A 120.0 . .
C38 C37 H37A 120.0 . .
C37 C38 C33 120.0 . .
C37 C38 H38A 120.0 . .
C33 C38 H38A 120.0 . .
C34' C33' C38' 120.0 . .
C34' C33' P1 121(3) . .
C38' C33' P1 118(3) . .
C35' C34' C33' 120.0 . .
C35' C34' H34B 120.0 . .
C33' C34' H34B 120.0 . .
C34' C35' C36' 120.0 . .
C34' C35' H35B 120.0 . .
C36' C35' H35B 120.0 . .
C37' C36' C35' 120.0 . .
C37' C36' H36B 120.0 . .
C35' C36' H36B 120.0 . .
C36' C37' C38' 120.0 . .
C36' C37' H37B 120.0 . .
C38' C37' H37B 120.0 . .
C37' C38' C33' 120.0 . .
C37' C38' H38B 120.0 . .
C33' C38' H38B 120.0 . .
C40 C39 C44 120.1(17) . .
C40 C39 N3 121.1(17) . .
C44 C39 N3 118.7(15) . .
C39 C40 C41 118.1(19) . .
C39 C40 H40A 118(10) . .
C41 C40 H40A 124(10) . .
C40 C41 C42 121.8(16) . .
C40 C41 H41A 119.1 . .
C42 C41 H41A 119.1 . .
C43 C42 C41 117.9(17) . .
C43 C42 H42A 121.0 . .
C41 C42 H42A 121.0 . .
C44 C43 C42 119(2) . .
C44 C43 H43A 120.6 . .
C42 C43 H43A 120.6 . .
C43 C44 C39 123.3(18) . .
C43 C44 H44A 118.4 . .
C39 C44 H44A 118.4 . .
C46 C45 P1 110.0(10) . .
C46 C45 H45A 109.7 . .
P1 C45 H45A 109.7 . .
C46 C45 H45B 109.7 . .
P1 C45 H45B 109.7 . .
H45A C45 H45B 108.2 . .
C45 C46 C47 111.0(11) . .
C45 C46 H46A 109.4 . .
C47 C46 H46A 109.4 . .
C45 C46 H46B 109.4 . .
C47 C46 H46B 109.4 . .
H46A C46 H46B 108.0 . .
C46 C47 P2 111.5(10) . .
C46 C47 H47A 109.3 . .
P2 C47 H47A 109.3 . .
C46 C47 H47B 109.3 . .
P2 C47 H47B 109.3 . .
H47A C47 H47B 108.0 . .
C50 C48 C49 99(4) 2_656 .
C50 C48 H48A 130.4 2_656 .
C49 C48 H48A 130.4 . .
C48 C49 C50 118.8(12) . .
C48 C49 H49A 120.6 . .
C50 C49 H49A 120.6 . .
C48 C50 C49 138(4) 2_656 .
C48 C50 H50A 110.8 2_656 .
C49 C50 H50A 110.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C1 2.019(16) .
Au1 P1 2.277(4) .
P1 C33 1.78(4) .
P1 C45 1.805(14) .
P1 C27 1.827(9) .
P1 C33' 1.84(4) .
C1 C2 1.18(2) .
C51 Cl2 1.66(3) .
C51 Cl1 1.68(3) .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
N1 C7 1.356(17) .
N1 C6 1.38(2) .
O1W H11A 0.8871 .
O1W H11B 0.8741 .
Au2 C14 1.973(19) .
Au2 P2 2.279(4) .
Au2 Au2 3.1770(15) 2_656
P2 C47 1.792(15) .
P2 C21 1.818(8) .
P2 C15 1.823(8) .
C2 C3 1.40(2) .
N2 C12 1.335(17) .
N2 C8 1.337(19) .
O2W H11C 0.9700 .
O2W H11D 0.9699 .
C3 C7 1.41(2) .
C3 C4 1.42(2) .
N3 C39 1.41(2) .
N3 H3A 0.8600 .
N3 H3B 0.8600 .
O3W H11E 0.8504 .
C4 C5 1.383(19) .
C4 H4A 0.9300 .
C5 C6 1.30(2) .
C5 H5A 0.9300 .
C6 C8 1.473(19) .
C7 H7A 0.9300 .
C8 C9 1.329(19) .
C9 C10 1.369(17) .
C9 H9A 0.9300 .
C10 C11 1.369(18) .
C10 H10A 0.9300 .
C11 C12 1.396(19) .
C11 C13 1.50(2) .
C12 H12A 0.9300 .
C13 C14 1.22(2) 7_657
C14 C13 1.22(2) 7_657
C15 C16 1.3900 .
C15 C20 1.3900 .
C16 C17 1.3900 .
C16 H16A 0.9300 .
C17 C18 1.3900 .
C17 H17A 0.9300 .
C18 C19 1.3900 .
C18 H18A 0.9300 .
C19 C20 1.3900 .
C19 H19A 0.9300 .
C20 H20A 0.9300 .
C21 C22 1.3900 .
C21 C26 1.3900 .
C22 C23 1.3900 .
C22 H22A 0.9300 .
C23 C24 1.3900 .
C23 H23A 0.9300 .
C24 C25 1.3900 .
C24 H24A 0.9300 .
C25 C26 1.3900 .
C25 H25A 0.9300 .
C26 H26A 0.9300 .
C27 C28 1.3900 .
C27 C32 1.3900 .
C28 C29 1.3900 .
C28 H28A 0.9300 .
C29 C30 1.3900 .
C29 H29A 0.9300 .
C30 C31 1.3900 .
C30 H30A 0.9300 .
C31 C32 1.3900 .
C31 H31A 0.9300 .
C32 H32A 0.9300 .
C33 C34 1.3900 .
C33 C38 1.3900 .
C34 C35 1.3900 .
C34 H34A 0.9300 .
C35 C36 1.3900 .
C35 H35A 0.9300 .
C36 C37 1.3900 .
C36 H36A 0.9300 .
C37 C38 1.3900 .
C37 H37A 0.9300 .
C38 H38A 0.9300 .
C33' C34' 1.3900 .
C33' C38' 1.3900 .
C34' C35' 1.3900 .
C34' H34B 0.9300 .
C35' C36' 1.3900 .
C35' H35B 0.9300 .
C36' C37' 1.3900 .
C36' H36B 0.9300 .
C37' C38' 1.3900 .
C37' H37B 0.9300 .
C38' H38B 0.9300 .
C39 C40 1.36(2) .
C39 C44 1.40(2) .
C40 C41 1.38(2) .
C40 H40A 0.97(18) .
C41 C42 1.43(3) .
C41 H41A 0.9300 .
C42 C43 1.40(3) .
C42 H42A 0.9300 .
C43 C44 1.34(3) .
C43 H43A 0.9300 .
C44 H44A 0.9300 .
C45 C46 1.56(2) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 C47 1.59(2) .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C48 C50 1.30(4) 2_656
C48 C49 1.391(10) .
C48 H48A 0.9300 .
C49 C50 1.393(10) .
C49 H49A 0.9300 .
C50 C48 1.30(4) 2_656
C50 H50A 0.9300 .
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_4
C1 Au1 P1 C33 -97(5) . .
C1 Au1 P1 C45 22(5) . .
C1 Au1 P1 C27 141(5) . .
C1 Au1 P1 C33' -96(5) . .
P1 Au1 C1 C2 47(29) . .
C14 Au2 P2 C47 42(3) . .
Au2 Au2 P2 C47 -125.4(5) 2_656 .
C14 Au2 P2 C21 -74(3) . .
Au2 Au2 P2 C21 119.0(4) 2_656 .
C14 Au2 P2 C15 158(3) . .
Au2 Au2 P2 C15 -9.6(4) 2_656 .
Au1 C1 C2 C3 68(46) . .
C1 C2 C3 C7 23(30) . .
C1 C2 C3 C4 -154(29) . .
C2 C3 C4 C5 179.3(15) . .
C7 C3 C4 C5 2(2) . .
C3 C4 C5 C6 2(2) . .
C4 C5 C6 N1 -4(2) . .
C4 C5 C6 C8 176.7(14) . .
C7 N1 C6 C5 3(2) . .
C7 N1 C6 C8 -178.0(12) . .
C6 N1 C7 C3 1(2) . .
C2 C3 C7 N1 179.3(13) . .
C4 C3 C7 N1 -3(2) . .
C12 N2 C8 C9 6(2) . .
C12 N2 C8 C6 -177.0(13) . .
C5 C6 C8 C9 178.3(16) . .
N1 C6 C8 C9 -1(2) . .
C5 C6 C8 N2 1(2) . .
N1 C6 C8 N2 -178.0(13) . .
N2 C8 C9 C10 -8(2) . .
C6 C8 C9 C10 175.4(13) . .
C8 C9 C10 C11 4(2) . .
C9 C10 C11 C12 1(2) . .
C9 C10 C11 C13 -176.1(13) . .
C8 N2 C12 C11 -1(2) . .
C10 C11 C12 N2 -2(2) . .
C13 C11 C12 N2 174.6(13) . .
C10 C11 C13 C14 -2(42) . 7_657
C12 C11 C13 C14 -178(100) . 7_657
P2 Au2 C14 C13 -24(18) . 7_657
Au2 Au2 C14 C13 143(16) 2_656 7_657
C47 P2 C15 C16 -107.8(8) . .
C21 P2 C15 C16 -0.4(8) . .
Au2 P2 C15 C16 130.3(6) . .
C47 P2 C15 C20 67.6(7) . .
C21 P2 C15 C20 175.0(6) . .
Au2 P2 C15 C20 -54.2(7) . .
C20 C15 C16 C17 0.0 . .
P2 C15 C16 C17 175.3(8) . .
C15 C16 C17 C18 0.0 . .
C16 C17 C18 C19 0.0 . .
C17 C18 C19 C20 0.0 . .
C18 C19 C20 C15 0.0 . .
C16 C15 C20 C19 0.0 . .
P2 C15 C20 C19 -175.6(8) . .
C47 P2 C21 C22 43.2(8) . .
C15 P2 C21 C22 -61.8(7) . .
Au2 P2 C21 C22 163.9(5) . .
C47 P2 C21 C26 -128.9(8) . .
C15 P2 C21 C26 126.1(7) . .
Au2 P2 C21 C26 -8.2(8) . .
C26 C21 C22 C23 0.0 . .
P2 C21 C22 C23 -172.0(8) . .
C21 C22 C23 C24 0.0 . .
C22 C23 C24 C25 0.0 . .
C23 C24 C25 C26 0.0 . .
C24 C25 C26 C21 0.0 . .
C22 C21 C26 C25 0.0 . .
P2 C21 C26 C25 172.1(8) . .
C33 P1 C27 C28 74.4(16) . .
C45 P1 C27 C28 -36.7(9) . .
C33' P1 C27 C28 77.3(16) . .
Au1 P1 C27 C28 -157.7(6) . .
C33 P1 C27 C32 -105.2(16) . .
C45 P1 C27 C32 143.7(8) . .
C33' P1 C27 C32 -102.3(16) . .
Au1 P1 C27 C32 22.7(8) . .
C32 C27 C28 C29 0.0 . .
P1 C27 C28 C29 -179.6(10) . .
C27 C28 C29 C30 0.0 . .
C28 C29 C30 C31 0.0 . .
C29 C30 C31 C32 0.0 . .
C30 C31 C32 C27 0.0 . .
C28 C27 C32 C31 0.0 . .
P1 C27 C32 C31 179.6(9) . .
C45 P1 C33 C34 56(2) . .
C27 P1 C33 C34 -55(2) . .
C33' P1 C33 C34 159(30) . .
Au1 P1 C33 C34 177.3(17) . .
C45 P1 C33 C38 -127.4(19) . .
C27 P1 C33 C38 121.7(19) . .
C33' P1 C33 C38 -24(28) . .
Au1 P1 C33 C38 -6(2) . .
C38 C33 C34 C35 0.0 . .
P1 C33 C34 C35 176(3) . .
C33 C34 C35 C36 0.0 . .
C34 C35 C36 C37 0.0 . .
C35 C36 C37 C38 0.0 . .
C36 C37 C38 C33 0.0 . .
C34 C33 C38 C37 0.0 . .
P1 C33 C38 C37 -176(3) . .
C33 P1 C33' C34' -59(28) . .
C45 P1 C33' C34' 20(2) . .
C27 P1 C33' C34' -93(2) . .
Au1 P1 C33' C34' 138.7(18) . .
C33 P1 C33' C38' 113(30) . .
C45 P1 C33' C38' -168.3(18) . .
C27 P1 C33' C38' 79(2) . .
Au1 P1 C33' C38' -49(2) . .
C38' C33' C34' C35' 0.0 . .
P1 C33' C34' C35' 172(3) . .
C33' C34' C35' C36' 0.0 . .
C34' C35' C36' C37' 0.0 . .
C35' C36' C37' C38' 0.0 . .
C36' C37' C38' C33' 0.0 . .
C34' C33' C38' C37' 0.0 . .
P1 C33' C38' C37' -172(3) . .
C44 C39 C40 C41 -1(2) . .
N3 C39 C40 C41 -177.3(14) . .
C39 C40 C41 C42 0(2) . .
C40 C41 C42 C43 2(2) . .
C41 C42 C43 C44 -2(2) . .
C42 C43 C44 C39 1(2) . .
C40 C39 C44 C43 0(2) . .
N3 C39 C44 C43 177.0(14) . .
C33 P1 C45 C46 -175.8(16) . .
C27 P1 C45 C46 -65.5(11) . .
C33' P1 C45 C46 179.3(16) . .
Au1 P1 C45 C46 59.4(10) . .
P1 C45 C46 C47 173.8(9) . .
C45 C46 C47 P2 -170.2(10) . .
C21 P2 C47 C46 58.1(11) . .
C15 P2 C47 C46 169.5(9) . .
Au2 P2 C47 C46 -63.3(10) . .
C50 C48 C49 C50 10(4) 2_656 .
C48 C49 C50 C48 -29(6) . 2_656
