#------------------------------------------------------------------------------
#$Date: 2019-11-25 13:57:53 +0200 (Mon, 25 Nov 2019) $
#$Revision: 241032 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/06/4130639.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_4130639
loop_
_publ_author_name
'Levin, Mark D.'
'Kaphan, David M.'
'Hong, Cynthia M.'
'Bergman, Robert G.'
'Raymond, Kenneth N.'
'Toste, F. Dean'
_publ_section_title
;
 Scope and Mechanism of Cooperativity at the Intersection of
 Organometallic and Supramolecular Catalysis.
;
_journal_issue                   30
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9682
_journal_page_last               9693
_journal_paper_doi               10.1021/jacs.6b05442
_journal_volume                  138
_journal_year                    2016
_chemical_formula_sum            'C152 H140 Au Ga4 K8 N12 O52 P2'
_chemical_formula_weight         3817.37
_chemical_name_common            cmh_iii_dmk3_a
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     'intrinsic phasing'
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 118.988(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.9478(10)
_cell_length_b                   60.836(3)
_cell_length_c                   19.5518(11)
_cell_measurement_reflns_used    9225
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      44.009
_cell_measurement_theta_min      3.069
_cell_volume                     20754.5(19)
_computing_cell_refinement       'SAINT V8.34A Bruker-AXS, Madison WI'
_computing_data_collection       'Bruker APEX2 Bruker-AXS, Madison WI'
_computing_data_reduction        'SAINT V8.34A Bruker-AXS, Madison WI'
_computing_molecular_graphics
'Bruker SHELXTL Bruker-AXS, Madison WI and local programs'
_computing_publication_material  'Bruker SHELXTL Bruker-AXS, Madison WI'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT 2014/4 Bruker-AXS, Madison WI'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.42
_diffrn_measured_fraction_theta_full 0.938
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_device_type  'Bruker D8 with PHOTON 100 detector'
_diffrn_measurement_method       'φ and ω shutterless scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     1.2276
_diffrn_reflns_av_R_equivalents  0.0486
_diffrn_reflns_av_unetI/netI     0.0681
_diffrn_reflns_Laue_measured_fraction_full 0.938
_diffrn_reflns_Laue_measured_fraction_max 0.937
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       68
_diffrn_reflns_limit_k_min       -68
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            63064
_diffrn_reflns_point_group_measured_fraction_full 0.938
_diffrn_reflns_point_group_measured_fraction_max 0.937
_diffrn_reflns_theta_full        44.033
_diffrn_reflns_theta_max         44.033
_diffrn_reflns_theta_min         2.137
_diffrn_source                   'Advanced Light Source, station 11.3.1'
_exptl_absorpt_coefficient_mu    1.935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2014/5 - Bruker AXS, Madison WI'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.176
_exptl_crystal_description       block
_exptl_crystal_F_000             7405
_exptl_crystal_size_max          0.010
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.005
_exptl_transmission_factor_max   0.990
_exptl_transmission_factor_min   0.981
_refine_diff_density_max         5.675
_refine_diff_density_min         -1.646
_refine_diff_density_rms         0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2072
_refine_ls_number_reflns         29588
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.1738
_refine_ls_R_factor_gt           0.1570
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1147P)²+571.2211P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3701
_refine_ls_wR_factor_ref         0.3814
_reflns_Friedel_coverage         0.000
_reflns_number_gt                24880
_reflns_number_total             29588
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja6b05442_si_003.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_atom_sites_solution_secondary' value 'diffmap' was
changed to 'difmap'.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C152 H140 Au1 Ga4 K8 N12 O52 P2'
_cod_database_code               4130639
_shelx_shelxl_version_number     2014/7
_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   0.981
_shelx_estimated_absorpt_t_max   0.990
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'
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
C1 C 0.7687(13) 0.6027(4) 0.4955(14) 0.066(7) Uani 0.747(3) 1 d . . P
H1A H 0.7654 0.6166 0.5191 0.099 Uiso 0.747(3) 1 calc R U P
H1B H 0.7485 0.5908 0.5138 0.099 Uiso 0.747(3) 1 calc R U P
H1C H 0.8224 0.5997 0.5106 0.099 Uiso 0.747(3) 1 calc R U P
C2 C 0.7266(13) 0.5789(3) 0.3604(17) 0.072(8) Uani 0.747(3) 1 d . . P
H2A H 0.7783 0.5780 0.3665 0.107 Uiso 0.747(3) 1 calc R U P
H2B H 0.7202 0.5675 0.3921 0.107 Uiso 0.747(3) 1 calc R U P
H2C H 0.6887 0.5768 0.3053 0.107 Uiso 0.747(3) 1 calc R U P
C3 C 0.6200(12) 0.6042(4) 0.3774(16) 0.065(7) Uani 0.747(3) 1 d . . P
H3A H 0.6084 0.6183 0.3936 0.097 Uiso 0.747(3) 1 calc R U P
H3B H 0.5839 0.6016 0.3220 0.097 Uiso 0.747(3) 1 calc R U P
H3C H 0.6154 0.5923 0.4087 0.097 Uiso 0.747(3) 1 calc R U P
C4 C 0.6083(14) 0.6648(4) 0.3321(15) 0.065(7) Uani 0.747(3) 1 d . . P
H4A H 0.6480 0.6740 0.3726 0.097 Uiso 0.747(3) 1 calc R U P
H4B H 0.5631 0.6737 0.2997 0.097 Uiso 0.747(3) 1 calc R U P
H4C H 0.5943 0.6530 0.3569 0.097 Uiso 0.747(3) 1 calc R U P
C5 C 0.5718(14) 0.6357(4) 0.1962(14) 0.066(7) Uani 0.747(3) 1 d . . P
H5A H 0.5922 0.6294 0.1639 0.099 Uiso 0.747(3) 1 calc R U P
H5B H 0.5576 0.6238 0.2206 0.099 Uiso 0.747(3) 1 calc R U P
H5C H 0.5264 0.6446 0.1633 0.099 Uiso 0.747(3) 1 calc R U P
C6 C 0.6466(16) 0.6760(4) 0.2128(16) 0.074(7) Uani 0.747(3) 1 d . . P
H6A H 0.6659 0.6709 0.1780 0.111 Uiso 0.747(3) 1 calc R U P
H6B H 0.5947 0.6819 0.1815 0.111 Uiso 0.747(3) 1 calc R U P
H6C H 0.6804 0.6875 0.2472 0.111 Uiso 0.747(3) 1 calc R U P
C7 C 0.8694(8) 0.6197(3) 0.4056(10) 0.031(4) Uani 0.747(3) 1 d . . P
H7A H 0.8664 0.6064 0.4323 0.046 Uiso 0.747(3) 1 calc R U P
H7B H 0.8879 0.6159 0.3690 0.046 Uiso 0.747(3) 1 calc R U P
H7C H 0.9049 0.6302 0.4444 0.046 Uiso 0.747(3) 1 calc R U P
C8 C 0.8117(9) 0.6582(3) 0.3093(12) 0.041(5) Uani 0.747(3) 1 d . . P
H8A H 0.7730 0.6689 0.2758 0.062 Uiso 0.747(3) 1 calc R U P
H8B H 0.8517 0.6656 0.3555 0.062 Uiso 0.747(3) 1 calc R U P
H8C H 0.8346 0.6513 0.2801 0.062 Uiso 0.747(3) 1 calc R U P
C9 C 0.8954(9) 0.5457(2) 0.5052(8) 0.047(4) Uani 1 1 d . . .
H9 H 0.8826 0.5394 0.5418 0.056 Uiso 1 1 calc R U .
C10 C 0.9384(8) 0.5620(2) 0.3976(9) 0.041(3) Uani 1 1 d . . .
C11 C 0.8685(10) 0.5361(3) 0.4314(9) 0.056(4) Uani 1 1 d . . .
H11 H 0.8338 0.5241 0.4169 0.067 Uiso 1 1 calc R U .
C12 C 0.8910(9) 0.5437(3) 0.3789(8) 0.052(4) Uani 1 1 d . . .
H12 H 0.8741 0.5365 0.3303 0.063 Uiso 1 1 calc R U .
C13 C 0.9420(7) 0.5650(2) 0.5257(8) 0.036(3) Uani 1 1 d . . .
C14 C 0.9649(8) 0.5729(2) 0.4698(8) 0.038(3) Uani 1 1 d . . .
C15 C 0.9653(9) 0.5764(2) 0.5971(8) 0.043(3) Uani 1 1 d . . .
C16 C 1.0178(10) 0.5907(2) 0.4921(9) 0.051(4) Uani 1 1 d . . .
H16 H 1.0347 0.5960 0.4572 0.061 Uiso 1 1 calc R U .
C17 C 1.0131(9) 0.5944(3) 0.6134(10) 0.054(4) Uani 1 1 d . . .
H17 H 1.0253 0.6030 0.6585 0.065 Uiso 1 1 calc R U .
C18 C 1.0443(10) 0.6002(3) 0.5647(10) 0.058(4) Uani 1 1 d . . .
H18 H 1.0841 0.6109 0.5822 0.069 Uiso 1 1 calc R U .
C19 C 0.9721(9) 0.5731(2) 0.7259(10) 0.050(4) Uani 1 1 d . . .
C20 C 0.9476(9) 0.5593(2) 0.7714(8) 0.042(3) Uani 1 1 d . . .
C21 C 0.8933(8) 0.5428(2) 0.7375(8) 0.039(3) Uani 1 1 d . . .
C22 C 0.9783(10) 0.5642(3) 0.8495(9) 0.053(4) Uani 1 1 d . . .
H22 H 1.0113 0.5765 0.8705 0.064 Uiso 1 1 calc R U .
C23 C 0.8718(9) 0.5300(2) 0.7869(9) 0.046(4) Uani 1 1 d . . .
C24 C 0.9075(10) 0.5344(2) 0.8673(10) 0.054(4) Uani 1 1 d . . .
H24 H 0.8942 0.5258 0.8996 0.065 Uiso 1 1 calc R U .
C25 C 0.9611(12) 0.5507(3) 0.9006(10) 0.070(5) Uani 1 1 d . . .
H25 H 0.9863 0.5532 0.9555 0.084 Uiso 1 1 calc R U .
C26 C 0.9506(8) 0.5630(2) 0.2754(8) 0.041(3) Uani 1 1 d . . .
C27 C 0.9790(8) 0.5768(2) 0.2312(9) 0.042(3) Uani 1 1 d . . .
C28 C 0.9786(9) 0.5676(3) 0.1649(9) 0.051(4) Uani 1 1 d . . .
H28 H 0.9553 0.5537 0.1460 0.061 Uiso 1 1 calc R U .
C29 C 1.0099(8) 0.5980(2) 0.2564(8) 0.038(3) Uani 1 1 d . . .
C30 C 1.0125(10) 0.5788(3) 0.1260(10) 0.059(4) Uani 1 1 d . . .
H30 H 1.0136 0.5724 0.0822 0.071 Uiso 1 1 calc R U .
C31 C 1.0422(8) 0.6091(2) 0.2120(9) 0.043(3) Uani 1 1 d . . .
C32 C 1.0439(11) 0.5993(2) 0.1532(8) 0.055(4) Uani 1 1 d . . .
H32 H 1.0679 0.6067 0.1280 0.066 Uiso 1 1 calc R U .
C33 C 0.4496(8) 0.5641(2) 0.2616(9) 0.044(4) Uani 1 1 d . . .
C34 C 0.5741(8) 0.5438(2) 0.3934(9) 0.041(3) Uani 1 1 d . . .
H34 H 0.6150 0.5371 0.4377 0.049 Uiso 1 1 calc R U .
C35 C 0.5211(10) 0.5568(2) 0.4015(10) 0.055(4) Uani 1 1 d . . .
H35 H 0.5261 0.5590 0.4518 0.067 Uiso 1 1 calc R U .
C36 C 0.4590(9) 0.5667(2) 0.3348(9) 0.044(4) Uani 1 1 d . . .
H36 H 0.4232 0.5754 0.3417 0.053 Uiso 1 1 calc R U .
C37 C 0.5665(9) 0.5410(2) 0.3188(9) 0.049(4) Uani 1 1 d . . .
C38 C 0.5047(9) 0.5513(2) 0.2501(9) 0.050(4) Uani 1 1 d . . .
C39 C 0.6180(9) 0.5271(3) 0.3054(9) 0.058(4) Uani 1 1 d . . .
C40 C 0.5023(10) 0.5492(3) 0.1763(10) 0.061(5) Uani 1 1 d . . .
H40 H 0.4635 0.5566 0.1319 0.074 Uiso 1 1 calc R U .
C41 C 0.6136(10) 0.5264(3) 0.2325(10) 0.063(5) Uani 1 1 d . . .
H41 H 0.6518 0.5187 0.2265 0.076 Uiso 1 1 calc R U .
C42 C 0.5559(11) 0.5366(3) 0.1692(10) 0.083(7) Uani 1 1 d . . .
H42 H 0.5526 0.5350 0.1194 0.100 Uiso 1 1 calc R U .
C43 C 0.7062(9) 0.4961(3) 0.3674(9) 0.056(4) Uani 1 1 d . . .
C44 C 0.7667(8) 0.4871(2) 0.4406(10) 0.049(4) Uani 1 1 d . . .
C45 C 0.7843(9) 0.4946(2) 0.5130(10) 0.050(4) Uani 1 1 d . . .
C46 C 0.8403(8) 0.4836(2) 0.5816(10) 0.051(4) Uani 1 1 d . . .
C47 C 0.8842(9) 0.4666(2) 0.5727(10) 0.054(4) Uani 1 1 d . . .
H47 H 0.9239 0.4597 0.6176 0.065 Uiso 1 1 calc R U .
C48 C 0.8696(11) 0.4601(3) 0.4994(11) 0.076(6) Uani 1 1 d . . .
H48 H 0.8997 0.4489 0.4942 0.092 Uiso 1 1 calc R U .
C49 C 0.8126(10) 0.4696(3) 0.4343(10) 0.061(5) Uani 1 1 d . . .
H49 H 0.8028 0.4648 0.3842 0.073 Uiso 1 1 calc R U .
C50 C 0.3134(8) 0.5731(2) 0.1801(9) 0.039(3) Uani 1 1 d . . .
C51 C 0.2581(7) 0.5844(2) 0.1086(8) 0.035(3) Uani 1 1 d . . .
C52 C 0.1788(9) 0.5843(2) 0.0918(9) 0.048(4) Uani 1 1 d . . .
H52 H 0.1648 0.5776 0.1270 0.058 Uiso 1 1 calc R U .
C53 C 0.1244(8) 0.5939(3) 0.0241(9) 0.052(4) Uani 1 1 d . . .
H53 H 0.0723 0.5938 0.0127 0.062 Uiso 1 1 calc R U .
C54 C 0.1431(9) 0.6037(3) -0.0276(10) 0.056(4) Uani 1 1 d . . .
H54 H 0.1036 0.6100 -0.0742 0.067 Uiso 1 1 calc R U .
C55 C 0.2190(8) 0.6046(2) -0.0133(8) 0.037(3) Uani 1 1 d . . .
C56 C 0.2769(7) 0.5947(2) 0.0555(8) 0.034(3) Uani 1 1 d . . .
C57 C 0.7939(9) 0.5965(3) 0.2085(10) 0.056(4) Uani 1 1 d . . .
H57 H 0.8341 0.5892 0.2520 0.067 Uiso 1 1 calc R U .
C58 C 0.7230(9) 0.5857(2) 0.1646(10) 0.049(4) Uani 1 1 d . . .
H58 H 0.7164 0.5712 0.1783 0.059 Uiso 1 1 calc R U .
C59 C 0.8058(9) 0.6171(2) 0.1894(9) 0.046(4) Uani 1 1 d . . .
H59 H 0.8540 0.6242 0.2186 0.056 Uiso 1 1 calc R U .
C60 C 0.6648(8) 0.5958(3) 0.1040(10) 0.052(4) Uani 1 1 d . . .
C61 C 0.7430(9) 0.6282(2) 0.1234(9) 0.052(4) Uani 1 1 d . . .
C62 C 0.6734(8) 0.6177(2) 0.0796(9) 0.052(4) Uani 1 1 d . . .
C63 C 0.7508(9) 0.6496(3) 0.1011(8) 0.047(4) Uani 1 1 d . . .
C64 C 0.6106(14) 0.6286(3) 0.0185(13) 0.110(10) Uani 1 1 d . . .
H64 H 0.5615 0.6219 -0.0093 0.132 Uiso 1 1 calc R U .
C65 C 0.6949(11) 0.6598(3) 0.0385(11) 0.070(5) Uani 1 1 d . . .
H65 H 0.7027 0.6735 0.0202 0.084 Uiso 1 1 calc R U .
C66 C 0.6241(15) 0.6488(4) 0.0020(15) 0.142(14) Uani 1 1 d . . .
H66 H 0.5820 0.6565 -0.0382 0.171 Uiso 1 1 calc R U .
C67 C 0.8389(10) 0.6826(3) 0.1541(10) 0.059(4) Uani 1 1 d . . .
C68 C 0.9174(9) 0.6890(2) 0.2059(10) 0.052(4) Uani 1 1 d . . .
C69 C 0.9352(9) 0.7114(3) 0.2034(10) 0.056(4) Uani 1 1 d . . .
H69 H 0.8963 0.7214 0.1707 0.067 Uiso 1 1 calc R U .
C70 C 1.0096(11) 0.7185(3) 0.2490(12) 0.073(6) Uani 1 1 d . . .
H70 H 1.0206 0.7336 0.2477 0.088 Uiso 1 1 calc R U .
C71 C 1.0700(10) 0.7044(2) 0.2973(11) 0.058(4) Uani 1 1 d . . .
H71 H 1.1206 0.7098 0.3284 0.070 Uiso 1 1 calc R U .
C72 C 1.0534(9) 0.6825(3) 0.2981(10) 0.056(4) Uani 1 1 d . . .
C73 C 0.9750(8) 0.6746(2) 0.2555(9) 0.045(4) Uani 1 1 d . . .
C74 C 0.5825(11) 0.5652(4) 0.0286(10) 0.079(6) Uani 1 1 d . . .
C75 C 0.4998(10) 0.5578(3) -0.0152(10) 0.072(6) Uani 1 1 d . . .
C76 C 0.4389(9) 0.5711(3) -0.0297(9) 0.054(4) Uani 1 1 d . . .
C77 C 0.4827(13) 0.5365(4) -0.0525(15) 0.114(10) Uani 1 1 d . . .
H77 H 0.5241 0.5273 -0.0452 0.137 Uiso 1 1 calc R U .
C78 C 0.4139(13) 0.5295(4) -0.0953(17) 0.139(14) Uani 1 1 d . . .
H78 H 0.4060 0.5154 -0.1189 0.167 Uiso 1 1 calc R U .
C79 C 0.3658(13) 0.5630(4) -0.0747(15) 0.088(6) Uani 1 1 d . . .
C80 C 0.3504(13) 0.5422(3) -0.1077(15) 0.107(9) Uani 1 1 d . . .
H80 H 0.2995 0.5369 -0.1373 0.129 Uiso 1 1 calc R U .
C81 C 0.3977(10) 0.6283(2) 0.2507(9) 0.053(4) Uani 1 1 d . . .
H81 H 0.3839 0.6134 0.2363 0.063 Uiso 1 1 calc R U .
C82 C 0.4130(11) 0.6347(2) 0.3258(9) 0.059(5) Uani 1 1 d . . .
H82 H 0.4146 0.6243 0.3627 0.071 Uiso 1 1 calc R U .
C83 C 0.4012(10) 0.6421(2) 0.1953(8) 0.054(4) Uani 1 1 d . . .
H83 H 0.3959 0.6367 0.1473 0.065 Uiso 1 1 calc R U .
C84 C 0.4258(8) 0.6570(2) 0.3444(9) 0.051(4) Uani 1 1 d . . .
C85 C 0.4132(10) 0.6646(2) 0.2148(9) 0.051(4) Uani 1 1 d . . .
C86 C 0.4260(10) 0.6726(2) 0.2888(10) 0.052(4) Uani 1 1 d . . .
C87 C 0.4199(9) 0.6802(2) 0.1610(8) 0.047(4) Uani 1 1 d . . .
C88 C 0.4352(10) 0.6953(3) 0.3043(9) 0.056(4) Uani 1 1 d . . .
H88 H 0.4397 0.7008 0.3519 0.067 Uiso 1 1 calc R U .
C89 C 0.4302(10) 0.7025(3) 0.1817(12) 0.069(5) Uani 1 1 d . . .
H89 H 0.4321 0.7130 0.1467 0.083 Uiso 1 1 calc R U .
C90 C 0.4378(11) 0.7094(3) 0.2529(11) 0.068(5) Uani 1 1 d . . .
H90 H 0.4450 0.7246 0.2655 0.082 Uiso 1 1 calc R U .
C91 C 0.4415(10) 0.6812(3) 0.0487(10) 0.055(4) Uani 1 1 d . . .
C92 C 0.4275(9) 0.6693(3) -0.0234(10) 0.055(4) Uani 1 1 d . . .
C93 C 0.3958(7) 0.6476(3) -0.0398(9) 0.050(4) Uani 1 1 d . . .
C94 C 0.4387(12) 0.6802(3) -0.0769(12) 0.072(5) Uani 1 1 d . . .
H94 H 0.4566 0.6949 -0.0670 0.087 Uiso 1 1 calc R U .
C95 C 0.4242(15) 0.6698(4) -0.1481(12) 0.094(7) Uani 1 1 d . . .
H95 H 0.4366 0.6771 -0.1837 0.112 Uiso 1 1 calc R U .
C96 C 0.3912(14) 0.6487(3) -0.1651(10) 0.088(7) Uani 1 1 d . . .
H96 H 0.3789 0.6422 -0.2140 0.105 Uiso 1 1 calc R U .
C97 C 0.3764(9) 0.6371(3) -0.1146(9) 0.057(4) Uani 1 1 d . . .
C98 C 0.4242(9) 0.6577(2) 0.4700(11) 0.054(4) Uani 1 1 d . . .
C99 C 0.4572(10) 0.6697(3) 0.5424(10) 0.058(4) Uani 1 1 d . . .
C100 C 0.4206(13) 0.6667(4) 0.5884(12) 0.091(7) Uani 1 1 d . . .
H100 H 0.3795 0.6565 0.5708 0.110 Uiso 1 1 calc R U .
C101 C 0.5134(10) 0.6855(2) 0.5660(10) 0.055(4) Uani 1 1 d . . .
C102 C 0.4414(17) 0.6777(5) 0.6567(17) 0.140(14) Uani 1 1 d . . .
H102 H 0.4185 0.6742 0.6881 0.168 Uiso 1 1 calc R U .
C103 C 0.4992(12) 0.6948(3) 0.6803(12) 0.074(6) Uani 1 1 d . . .
H103 H 0.5132 0.7032 0.7262 0.089 Uiso 1 1 calc R U .
C104 C 0.5350(8) 0.6987(3) 0.6318(8) 0.045(4) Uani 1 1 d . . .
C105 C 0.9212(12) 0.6598(3) 0.5749(12) 0.076(6) Uani 1 1 d . . .
H105 H 0.9528 0.6496 0.6144 0.091 Uiso 1 1 calc R U .
C106 C 0.8483(12) 0.6663(3) 0.5655(12) 0.078(6) Uani 1 1 d . . .
H106 H 0.8282 0.6592 0.5949 0.093 Uiso 1 1 calc R U .
C107 C 0.9442(11) 0.6689(3) 0.5235(11) 0.062(5) Uani 1 1 d . . .
C108 C 0.8080(10) 0.6826(3) 0.5149(11) 0.064(5) Uani 1 1 d . . .
H108 H 0.7605 0.6871 0.5108 0.077 Uiso 1 1 calc R U .
C109 C 0.9054(11) 0.6858(2) 0.4744(10) 0.054(4) Uani 1 1 d . . .
C110 C 0.8344(10) 0.6933(2) 0.4681(10) 0.055(4) Uani 1 1 d . . .
C111 C 0.9347(10) 0.6961(2) 0.4288(10) 0.054(4) Uani 1 1 d . . .
H111 H 0.9838 0.6920 0.4364 0.065 Uiso 1 1 calc R U .
C112 C 0.7915(10) 0.7101(2) 0.4125(8) 0.046(4) Uani 1 1 d . . .
C113 C 0.8929(11) 0.7118(3) 0.3737(12) 0.069(5) Uani 1 1 d . . .
H113 H 0.9117 0.7183 0.3421 0.083 Uiso 1 1 calc R U .
C114 C 0.8178(11) 0.7183(3) 0.3655(10) 0.065(5) Uani 1 1 d . . .
H114 H 0.7871 0.7286 0.3260 0.078 Uiso 1 1 calc R U .
C115 C 1.0847(11) 0.6585(3) 0.5890(11) 0.061(5) Uani 1 1 d . . .
C116 C 1.1413(10) 0.6496(3) 0.5674(10) 0.062(5) Uani 1 1 d . . .
C117 C 1.1252(8) 0.6422(2) 0.4936(10) 0.047(4) Uani 1 1 d . . .
C118 C 1.2175(13) 0.6479(4) 0.6251(11) 0.091(7) Uani 1 1 d . . .
H118 H 1.2309 0.6539 0.6749 0.109 Uiso 1 1 calc R U .
C119 C 1.2746(10) 0.6382(4) 0.6162(11) 0.082(7) Uani 1 1 d . . .
H119 H 1.3245 0.6363 0.6594 0.098 Uiso 1 1 calc R U .
C120 C 1.1837(8) 0.6330(2) 0.4804(9) 0.045(4) Uani 1 1 d . . .
C121 C 1.2562(9) 0.6311(3) 0.5392(9) 0.065(5) Uani 1 1 d . . .
H121 H 1.2949 0.6251 0.5296 0.078 Uiso 1 1 calc R U .
C122 C 0.6678(10) 0.7293(2) 0.3523(10) 0.051(4) Uani 1 1 d . . .
C123 C 0.6091(9) 0.7388(2) 0.3680(8) 0.043(3) Uani 1 1 d . . .
C124 C 0.5600(10) 0.7556(3) 0.3192(10) 0.057(4) Uani 1 1 d . . .
H124 H 0.5644 0.7600 0.2750 0.069 Uiso 1 1 calc R U .
C125 C 0.6002(8) 0.7321(2) 0.4330(8) 0.042(3) Uani 1 1 d . . .
C126 C 0.5070(12) 0.7657(3) 0.3331(11) 0.069(5) Uani 1 1 d . . .
H126 H 0.4767 0.7773 0.2999 0.083 Uiso 1 1 calc R U .
C127 C 0.5443(9) 0.7432(2) 0.4471(9) 0.047(4) Uani 1 1 d . . .
C128 C 0.4967(10) 0.7589(2) 0.3972(10) 0.054(4) Uani 1 1 d . . .
H128 H 0.4575 0.7653 0.4052 0.064 Uiso 1 1 calc R U .
C129 C 0.5915(9) 0.6091(2) 0.5392(10) 0.056(4) Uani 1 1 d . . .
H129 H 0.5453 0.6023 0.5016 0.068 Uiso 1 1 calc R U .
C130 C 0.6014(8) 0.6316(2) 0.5325(10) 0.050(4) Uani 1 1 d . . .
H130 H 0.5637 0.6396 0.4891 0.061 Uiso 1 1 calc R U .
C131 C 0.6445(8) 0.5967(2) 0.5963(9) 0.043(3) Uani 1 1 d . . .
C132 C 0.6640(10) 0.6420(2) 0.5873(9) 0.049(4) Uani 1 1 d . . .
H132 H 0.6691 0.6574 0.5833 0.059 Uiso 1 1 calc R U .
C133 C 0.7122(10) 0.6059(2) 0.6556(11) 0.058(4) Uani 1 1 d . . .
C134 C 0.7237(9) 0.6300(2) 0.6524(10) 0.049(4) Uani 1 1 d . . .
C135 C 0.7726(10) 0.5940(3) 0.7197(10) 0.061(5) Uani 1 1 d . . .
H135 H 0.7699 0.5784 0.7222 0.073 Uiso 1 1 calc R U .
C136 C 0.7892(8) 0.6396(2) 0.7134(10) 0.051(4) Uani 1 1 d . . .
C137 C 0.8332(12) 0.6050(3) 0.7765(11) 0.069(5) Uani 1 1 d . . .
H137 H 0.8697 0.5968 0.8200 0.083 Uiso 1 1 calc R U .
C138 C 0.8455(10) 0.6271(3) 0.7757(11) 0.062(5) Uani 1 1 d . . .
H138 H 0.8905 0.6339 0.8157 0.075 Uiso 1 1 calc R U .
C139 C 0.8569(9) 0.6754(2) 0.7430(10) 0.056(4) Uani 1 1 d . . .
C140 C 0.8439(10) 0.6994(2) 0.7333(10) 0.050(4) Uani 1 1 d . . .
C141 C 0.7730(9) 0.7085(2) 0.6806(9) 0.045(4) Uani 1 1 d . . .
C142 C 0.7619(8) 0.7318(2) 0.6771(8) 0.037(3) Uani 1 1 d . . .
C143 C 0.8238(8) 0.7453(2) 0.7248(8) 0.042(3) Uani 1 1 d . . .
H143 H 0.8174 0.7608 0.7214 0.050 Uiso 1 1 calc R U .
C144 C 0.8959(11) 0.7362(3) 0.7782(12) 0.071(5) Uani 1 1 d . . .
H144 H 0.9371 0.7453 0.8127 0.085 Uiso 1 1 calc R U .
C145 C 0.9043(10) 0.7142(3) 0.7787(10) 0.061(5) Uani 1 1 d . . .
H145 H 0.9538 0.7082 0.8115 0.074 Uiso 1 1 calc R U .
C146 C 0.5701(10) 0.5641(2) 0.5978(12) 0.063(5) Uani 1 1 d . . .
C147 C 0.5732(9) 0.5399(2) 0.6056(9) 0.048(4) Uani 1 1 d . . .
C148 C 0.6358(8) 0.5275(2) 0.6116(8) 0.038(3) Uani 1 1 d . . .
C149 C 0.6363(9) 0.5038(2) 0.6202(9) 0.052(4) Uani 1 1 d . . .
C150 C 0.5722(9) 0.4941(2) 0.6165(11) 0.062(5) Uani 1 1 d . . .
H150 H 0.5709 0.4786 0.6210 0.074 Uiso 1 1 calc R U .
C151 C 0.5097(9) 0.5064(3) 0.6065(11) 0.062(5) Uani 1 1 d . . .
H151 H 0.4667 0.4989 0.6040 0.075 Uiso 1 1 calc R U .
C152 C 0.5075(9) 0.5284(3) 0.6003(11) 0.059(5) Uani 1 1 d . . .
H152 H 0.4633 0.5363 0.5924 0.071 Uiso 1 1 calc R U .
N1 N 0.9606(6) 0.57135(17) 0.3443(6) 0.030(2) Uani 1 1 d . . .
H1 H 0.9838 0.5842 0.3579 0.035 Uiso 1 1 calc R U .
N2 N 0.9420(6) 0.56816(19) 0.6484(6) 0.041(3) Uani 1 1 d . . .
H2 H 0.9038 0.5587 0.6289 0.049 Uiso 1 1 calc R U .
N3 N 0.3895(6) 0.57359(17) 0.1958(7) 0.041(3) Uani 1 1 d . . .
H3 H 0.4000 0.5803 0.1622 0.049 Uiso 1 1 calc R U .
N4 N 0.6752(7) 0.51525(19) 0.3696(7) 0.043(3) Uani 1 1 d . . .
H4 H 0.6922 0.5213 0.4160 0.052 Uiso 1 1 calc R U .
N5 N 0.7215(7) 0.71762(19) 0.4090(7) 0.049(3) Uani 1 1 d . . .
H5 H 0.7139 0.7140 0.4484 0.059 Uiso 1 1 calc R U .
N6 N 1.0135(7) 0.66071(19) 0.5257(8) 0.048(3) Uani 1 1 d . . .
H6 H 1.0091 0.6566 0.4805 0.057 Uiso 1 1 calc R U .
N7 N 0.4483(7) 0.66503(18) 0.4195(7) 0.051(3) Uani 1 1 d . . .
H7 H 0.4815 0.6759 0.4359 0.061 Uiso 1 1 calc R U .
N8 N 0.4155(8) 0.6721(2) 0.0930(8) 0.062(4) Uani 1 1 d . . .
H8 H 0.3927 0.6593 0.0770 0.074 Uiso 1 1 calc R U .
N10 N 0.5926(7) 0.5852(2) 0.0601(8) 0.057(3) Uani 1 1 d . . .
H10 H 0.5516 0.5924 0.0533 0.068 Uiso 1 1 calc R U .
N13 N 0.7951(7) 0.66297(18) 0.7120(7) 0.046(3) Uani 1 1 d . . .
H13 H 0.7513 0.6701 0.6869 0.055 Uiso 1 1 calc R U .
N14 N 0.8247(8) 0.6605(2) 0.1455(8) 0.057(4) Uani 1 1 d . . .
H14 H 0.8649 0.6519 0.1696 0.068 Uiso 1 1 calc R U .
N15 N 0.6344(7) 0.57380(18) 0.6040(8) 0.048(3) Uani 1 1 d . . .
H15 H 0.6733 0.5651 0.6136 0.058 Uiso 1 1 calc R U .
O1 O 0.3052(6) 0.5765(2) -0.0821(7) 0.066(3) Uani 1 1 d . . .
O2 O 0.4463(5) 0.59112(16) 0.0022(7) 0.051(3) Uani 1 1 d . . .
O3 O 0.3882(6) 0.63436(16) 0.0108(6) 0.048(2) Uani 1 1 d . . .
O4 O 0.3437(7) 0.6176(2) -0.1283(6) 0.064(3) Uani 1 1 d . . .
O5 O 0.2399(6) 0.61335(18) -0.0629(7) 0.057(3) Uani 1 1 d . . .
O6 O 0.3476(5) 0.59594(15) 0.0656(6) 0.046(2) Uani 1 1 d . . .
O7 O 1.0106(5) 0.60848(14) 0.3162(5) 0.036(2) Uani 1 1 d . . .
O8 O 1.0760(6) 0.62875(15) 0.2458(6) 0.045(2) Uani 1 1 d . . .
O9 O 0.9637(5) 0.65320(15) 0.2636(6) 0.043(2) Uani 1 1 d . . .
O10 O 1.1051(5) 0.66720(16) 0.3399(7) 0.056(3) Uani 1 1 d . . .
O11 O 1.1643(5) 0.62671(15) 0.4070(6) 0.041(2) Uani 1 1 d . . .
O12 O 1.0554(5) 0.64335(15) 0.4302(5) 0.038(2) Uani 1 1 d . . .
O13 O 0.6991(5) 0.53616(14) 0.6159(6) 0.046(2) Uani 1 1 d . . .
O14 O 0.6992(6) 0.49299(15) 0.6315(6) 0.050(3) Uani 1 1 d . . .
O15 O 0.7511(5) 0.51161(13) 0.5281(5) 0.037(2) Uani 1 1 d . . .
O16 O 0.8522(5) 0.49021(15) 0.6528(6) 0.046(2) Uani 1 1 d . . .
O17 O 0.8198(6) 0.51425(16) 0.7546(6) 0.049(3) Uani 1 1 d . . .
O18 O 0.8556(5) 0.53742(14) 0.6637(5) 0.042(2) Uani 1 1 d . . .
O19 O 0.5398(6) 0.73691(15) 0.5095(6) 0.046(2) Uani 1 1 d . . .
O20 O 0.6433(5) 0.71736(14) 0.4846(5) 0.038(2) Uani 1 1 d . . .
O21 O 0.5508(5) 0.69025(14) 0.5273(5) 0.037(2) Uani 1 1 d . . .
O22 O 0.5873(6) 0.71411(15) 0.6518(6) 0.047(2) Uani 1 1 d . . .
O23 O 0.7134(6) 0.69667(13) 0.6344(5) 0.042(2) Uani 1 1 d . . .
O24 O 0.6928(6) 0.73969(14) 0.6297(6) 0.045(2) Uani 1 1 d . . .
O26 O 0.6644(7) 0.7325(2) 0.2872(7) 0.074(4) Uani 1 1 d . . .
O27 O 0.4795(8) 0.6988(2) 0.0654(7) 0.074(4) Uani 1 1 d . . .
O28 O 0.7853(7) 0.69628(17) 0.1252(6) 0.060(3) Uani 1 1 d . . .
O29 O 0.9222(6) 0.54439(16) 0.2498(6) 0.049(2) Uani 1 1 d . . .
O30 O 0.6361(7) 0.5535(2) 0.0341(10) 0.110(6) Uani 1 1 d . . .
O31 O 0.6833(10) 0.4857(2) 0.3031(8) 0.111(6) Uani 1 1 d . . .
O32 O 1.0217(6) 0.58790(18) 0.7583(6) 0.060(3) Uani 1 1 d . . .
O33 O 0.5128(8) 0.5745(2) 0.5864(9) 0.087(4) Uani 1 1 d . . .
O34 O 0.3770(7) 0.64274(19) 0.4527(7) 0.069(3) Uani 1 1 d . . .
O36 O 1.1008(8) 0.6635(3) 0.6543(9) 0.096(5) Uani 1 1 d . . .
O37 O 0.2965(5) 0.56401(16) 0.2264(6) 0.048(2) Uani 1 1 d . . .
O38 O 0.8611(17) 0.7484(3) 0.0414(11) 0.182(12) Uani 1 1 d . . .
O39 O 0.1075(10) 0.5334(4) -0.2462(13) 0.174(11) Uani 1 1 d . . .
O40 O 0.1577(6) 0.54508(17) 0.2639(7) 0.056(3) Uani 1 1 d . . .
O41 O 0.3796(8) 0.5965(2) 0.4707(10) 0.099(5) Uani 1 1 d . . .
O42 O 0.6279(8) 0.7069(2) 0.0700(8) 0.080(4) Uani 1 1 d . . .
O43 O 0.6651(7) 0.4549(2) 0.5539(8) 0.076(4) Uani 1 1 d . . .
O44 O 0.8748(10) 0.4701(3) 0.9418(9) 0.120(6) Uani 1 1 d . . .
O45 O 1.1620(10) 0.4836(3) 0.9886(9) 0.106(5) Uani 1 1 d . . .
O46 O 1.2112(11) 0.5483(3) 0.9591(11) 0.119(6) Uani 1 1 d . . .
O47 O 0.9985(8) 0.4799(2) 0.9220(8) 0.086(4) Uani 1 1 d . . .
O48 O 0.6797(16) 0.4767(5) 0.8882(14) 0.215(15) Uani 1 1 d . . .
O49 O 0.7378(13) 0.5226(4) 0.8404(17) 0.176(10) Uani 1 1 d . . .
O50 O 0.2368(13) 0.6219(5) 0.297(2) 0.223(16) Uani 1 1 d . . .
O51 O 0.4301(14) 0.7552(4) 0.1148(18) 0.181(11) Uani 1 1 d . . .
O52 O 0.6991(17) 0.7022(3) -0.0747(12) 0.172(11) Uani 1 1 d . . .
O53 O 0.9259(7) 0.66817(19) 0.7775(8) 0.075(4) Uani 1 1 d . . .
P1 P 0.7139(3) 0.60476(7) 0.3914(3) 0.0392(11) Uani 0.747(3) 1 d . . P
P2 P 0.6445(3) 0.65298(8) 0.2720(3) 0.0439(12) Uani 0.747(3) 1 d . . P
Ga1 Ga 0.34674(11) 0.60502(4) -0.03150(12) 0.0491(6) Uani 1 1 d . . .
Ga2 Ga 1.05990(11) 0.63781(3) 0.33264(12) 0.0407(5) Uani 1 1 d . . .
Ga3 Ga 0.77943(11) 0.51410(3) 0.63972(12) 0.0412(5) Uani 1 1 d . . .
Ga4 Ga 0.62166(12) 0.71524(3) 0.57305(12) 0.0414(5) Uani 1 1 d . . .
Au1 Au 0.76018(5) 0.63401(2) 0.34418(5) 0.0382(3) Uani 0.747(3) 1 d . . P
K1 K 0.7120(3) 0.43410(8) 0.4614(3) 0.0968(16) Uani 1 1 d . . .
K2 K 0.7532(2) 0.47869(6) 0.7884(2) 0.0660(10) Uani 1 1 d . . .
K3 K 0.5757(2) 0.73735(6) 0.1374(2) 0.0610(10) Uani 1 1 d . . .
K4 K 0.7212(3) 0.73246(6) 0.0358(2) 0.0668(11) Uani 1 1 d . . .
K5 K 0.2626(2) 0.57783(6) 0.3342(3) 0.0664(10) Uani 1 1 d . . .
K6 K 1.0862(3) 0.52187(8) 0.8935(4) 0.0958(15) Uani 1 1 d . . .
K7 K 0.1644(3) 0.57869(11) -0.1822(4) 0.131(3) Uani 1 1 d . . .
K8 K 0.9994(7) 0.4911(2) 0.7761(9) 0.239(6) 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 0.0115 0.0055 'Calculated using XDISP in WinGX (Farrugia, 1999)'
H H 0.0000 0.0000 'Calculated using XDISP in WinGX (Farrugia, 1999)'
N N 0.0204 0.0111 'Calculated using XDISP in WinGX (Farrugia, 1999)'
O O 0.0332 0.0199 'Calculated using XDISP in WinGX (Farrugia, 1999)'
P P 0.2284 0.2810 'Calculated using XDISP in WinGX (Farrugia, 1999)'
Ga Ga -3.2145 0.5153 'Calculated using XDISP in WinGX (Farrugia, 1999)'
Au Au -5.9279 5.0876 'Calculated using XDISP in WinGX (Farrugia, 1999)'
K K 0.3605 0.7070 'Calculated using XDISP in WinGX (Farrugia, 1999)'
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
P1 C1 H1A 109.5 . .
P1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
P1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
P1 C2 H2A 109.5 . .
P1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
P1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
P1 C3 H3A 109.5 . .
P1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
P1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
P2 C4 H4A 109.5 . .
P2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
P2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
P2 C5 H5A 109.5 . .
P2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
P2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
P2 C6 H6A 109.5 . .
P2 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
P2 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
Au1 C7 H7A 109.5 . .
Au1 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
Au1 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
Au1 C8 H8A 109.5 . .
Au1 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
Au1 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C11 C9 C13 120.2(13) . .
C11 C9 H9 119.9 . .
C13 C9 H9 119.9 . .
C12 C10 C14 121.2(13) . .
C12 C10 N1 122.6(13) . .
C14 C10 N1 116.2(11) . .
C12 C11 C9 121.7(14) . .
C12 C11 H11 119.2 . .
C9 C11 H11 119.2 . .
C11 C12 C10 119.8(15) . .
C11 C12 H12 120.1 . .
C10 C12 H12 120.1 . .
C15 C13 C9 122.4(12) . .
C15 C13 C14 120.3(12) . .
C9 C13 C14 117.3(13) . .
C10 C14 C16 121.8(12) . .
C10 C14 C13 119.7(12) . .
C16 C14 C13 118.4(12) . .
C17 C15 N2 123.7(13) . .
C17 C15 C13 118.3(13) . .
N2 C15 C13 117.9(12) . .
C18 C16 C14 119.4(13) . .
C18 C16 H16 120.3 . .
C14 C16 H16 120.3 . .
C15 C17 C18 121.5(15) . .
C15 C17 H17 119.3 . .
C18 C17 H17 119.3 . .
C16 C18 C17 121.1(15) . .
C16 C18 H18 119.5 . .
C17 C18 H18 119.5 . .
O32 C19 N2 122.0(15) . .
O32 C19 C20 121.0(15) . .
N2 C19 C20 116.9(13) . .
O32 C19 K7 41.1(8) . 1_656
N2 C19 K7 112.8(10) . 1_656
C20 C19 K7 111.2(10) . 1_656
C22 C20 C21 120.7(13) . .
C22 C20 C19 116.9(13) . .
C21 C20 C19 122.3(13) . .
C22 C20 K6 66.4(9) . .
C21 C20 K6 91.7(8) . .
C19 C20 K6 113.7(10) . .
O18 C21 C20 127.5(13) . .
O18 C21 C23 113.7(12) . .
C20 C21 C23 118.8(13) . .
C20 C22 C25 121.1(14) . .
C20 C22 K6 90.4(10) . .
C25 C22 K6 73.4(10) . .
C20 C22 H22 119.5 . .
C25 C22 H22 119.5 . .
K6 C22 H22 106.5 . .
O17 C23 C24 121.8(14) . .
O17 C23 C21 119.0(13) . .
C24 C23 C21 119.2(13) . .
C25 C24 C23 121.9(14) . .
C25 C24 K6 64.9(11) . .
C23 C24 K6 93.0(10) . .
C25 C24 H24 119.1 . .
C23 C24 H24 119.1 . .
K6 C24 H24 112.5 . .
C24 C25 C22 118.0(15) . .
C24 C25 K6 91.6(11) . .
C22 C25 K6 80.0(11) . .
C24 C25 H25 121.0 . .
C22 C25 H25 121.0 . .
K6 C25 H25 98.1 . .
O29 C26 N1 123.6(13) . .
O29 C26 C27 119.8(13) . .
N1 C26 C27 116.5(12) . .
C28 C27 C29 119.3(13) . .
C28 C27 C26 118.5(13) . .
C29 C27 C26 122.2(13) . .
C27 C28 C30 121.0(15) . .
C27 C28 H28 119.5 . .
C30 C28 H28 119.5 . .
O7 C29 C27 124.3(12) . .
O7 C29 C31 118.7(12) . .
C27 C29 C31 117.0(13) . .
C32 C30 C28 118.3(15) . .
C32 C30 H30 120.9 . .
C28 C30 H30 120.9 . .
C32 C31 O8 126.9(14) . .
C32 C31 C29 121.1(14) . .
O8 C31 C29 111.6(12) . .
C31 C32 C30 123.2(15) . .
C31 C32 H32 118.4 . .
C30 C32 H32 118.4 . .
C36 C33 N3 122.8(14) . .
C36 C33 C38 119.9(13) . .
N3 C33 C38 117.3(14) . .
C35 C34 C37 119.0(14) . .
C35 C34 H34 120.5 . .
C37 C34 H34 120.5 . .
C34 C35 C36 120.5(16) . .
C34 C35 H35 119.7 . .
C36 C35 H35 119.7 . .
C33 C36 C35 121.9(15) . .
C33 C36 H36 119.1 . .
C35 C36 H36 119.1 . .
C34 C37 C39 122.1(14) . .
C34 C37 C38 121.6(14) . .
C39 C37 C38 116.3(14) . .
C40 C38 C33 123.1(13) . .
C40 C38 C37 119.7(14) . .
C33 C38 C37 117.1(14) . .
C41 C39 N4 121.3(15) . .
C41 C39 C37 120.3(15) . .
N4 C39 C37 118.3(15) . .
C42 C40 C38 120.2(15) . .
C42 C40 H40 119.9 . .
C38 C40 H40 119.9 . .
C42 C41 C39 121.8(16) . .
C42 C41 H41 119.1 . .
C39 C41 H41 119.1 . .
C41 C42 C40 121.1(17) . .
C41 C42 H42 119.5 . .
C40 C42 H42 119.5 . .
O31 C43 N4 121.1(15) . .
O31 C43 C44 120.8(14) . .
N4 C43 C44 118.1(13) . .
C45 C44 C49 118.5(14) . .
C45 C44 C43 124.8(14) . .
C49 C44 C43 116.6(14) . .
C45 C44 K1 97.0(10) . .
C49 C44 K1 65.0(9) . .
C43 C44 K1 107.6(9) . .
O15 C45 C44 125.6(13) . .
O15 C45 C46 113.6(14) . .
C44 C45 C46 120.8(14) . .
O16 C46 C47 122.1(13) . .
O16 C46 C45 119.6(14) . .
C47 C46 C45 118.2(16) . .
C48 C47 C46 120.4(14) . .
C48 C47 H47 119.8 . .
C46 C47 H47 119.8 . .
C49 C48 C47 120.8(15) . .
C49 C48 K1 73.6(12) . .
C47 C48 K1 94.0(13) . .
C49 C48 H48 119.6 . .
C47 C48 H48 119.6 . .
K1 C48 H48 102.4 . .
C48 C49 C44 120.7(15) . .
C48 C49 K1 82.1(13) . .
C44 C49 K1 90.5(10) . .
C48 C49 H49 119.6 . .
C44 C49 H49 119.6 . .
K1 C49 H49 97.4 . .
O37 C50 N3 120.1(13) . .
O37 C50 C51 124.1(13) . .
N3 C50 C51 115.8(12) . .
C56 C51 C52 119.1(12) . .
C56 C51 C50 124.3(12) . .
C52 C51 C50 116.6(12) . .
C53 C52 C51 118.8(14) . .
C53 C52 H52 120.6 . .
C51 C52 H52 120.6 . .
C52 C53 C54 121.7(14) . .
C52 C53 H53 119.2 . .
C54 C53 H53 119.2 . .
C53 C54 C55 121.7(14) . .
C53 C54 H54 119.2 . .
C55 C54 H54 119.2 . .
O5 C55 C54 124.0(13) . .
O5 C55 C56 117.4(12) . .
C54 C55 C56 118.5(13) . .
O5 C55 K7 62.4(7) . .
C54 C55 K7 88.9(9) . .
C56 C55 K7 117.7(9) . .
O6 C56 C51 124.0(12) . .
O6 C56 C55 115.9(12) . .
C51 C56 C55 120.2(12) . .
C59 C57 C58 121.1(15) . .
C59 C57 H57 119.4 . .
C58 C57 H57 119.4 . .
C60 C58 C57 120.8(15) . .
C60 C58 H58 119.6 . .
C57 C58 H58 119.6 . .
C57 C59 C61 118.5(14) . .
C57 C59 H59 120.7 . .
C61 C59 H59 120.7 . .
C58 C60 N10 121.2(15) . .
C58 C60 C62 121.3(14) . .
N10 C60 C62 117.6(14) . .
C62 C61 C63 117.6(14) . .
C62 C61 C59 120.7(14) . .
C63 C61 C59 121.6(14) . .
C61 C62 C64 121.3(16) . .
C61 C62 C60 117.5(14) . .
C64 C62 C60 120.9(16) . .
C65 C63 C61 122.8(16) . .
C65 C63 N14 119.1(15) . .
C61 C63 N14 118.0(13) . .
C66 C64 C62 116(2) . .
C66 C64 H64 121.9 . .
C62 C64 H64 121.9 . .
C63 C65 C66 115.6(18) . .
C63 C65 H65 122.2 . .
C66 C65 H65 122.2 . .
C64 C66 C65 125.9(19) . .
C64 C66 H66 117.1 . .
C65 C66 H66 117.1 . .
O28 C67 N14 121.2(15) . .
O28 C67 C68 122.2(15) . .
N14 C67 C68 116.1(14) . .
C73 C68 C69 119.4(14) . .
C73 C68 C67 124.4(14) . .
C69 C68 C67 116.1(14) . .
C70 C69 C68 119.3(15) . .
C70 C69 H69 120.3 . .
C68 C69 H69 120.3 . .
C69 C70 C71 123.0(15) . .
C69 C70 H70 118.5 . .
C71 C70 H70 118.5 . .
C72 C71 C70 117.9(16) . .
C72 C71 H71 121.1 . .
C70 C71 H71 121.1 . .
O10 C72 C71 124.4(15) . .
O10 C72 C73 114.6(14) . .
C71 C72 C73 120.9(14) . .
O9 C73 C68 124.1(13) . .
O9 C73 C72 116.7(13) . .
C68 C73 C72 119.1(13) . .
O30 C74 N10 123.4(17) . .
O30 C74 C75 122.1(17) . .
N10 C74 C75 114.5(18) . .
C76 C75 C77 117.1(17) . .
C76 C75 C74 123.7(17) . .
C77 C75 C74 118.7(18) . .
O2 C76 C75 123.5(14) . .
O2 C76 C79 117.8(16) . .
C75 C76 C79 118.5(17) . .
C78 C77 C75 123(2) . .
C78 C77 H77 118.5 . .
C75 C77 H77 118.5 . .
C77 C78 C80 121(2) . .
C77 C78 H78 119.4 . .
C80 C78 H78 119.4 . .
C76 C79 C80 123(2) . .
C76 C79 O1 116.5(17) . .
C80 C79 O1 120(2) . .
C79 C80 C78 116(2) . .
C79 C80 H80 121.8 . .
C78 C80 H80 121.8 . .
C83 C81 C82 125.1(14) . .
C83 C81 H81 117.5 . .
C82 C81 H81 117.5 . .
C84 C82 C81 117.6(14) . .
C84 C82 H82 121.2 . .
C81 C82 H82 121.2 . .
C81 C83 C85 116.1(14) . .
C81 C83 H83 122.0 . .
C85 C83 H83 122.0 . .
C82 C84 N7 122.6(14) . .
C82 C84 C86 120.7(15) . .
N7 C84 C86 116.3(12) . .
C83 C85 C86 122.0(13) . .
C83 C85 C87 119.7(14) . .
C86 C85 C87 118.1(12) . .
C88 C86 C85 119.7(14) . .
C88 C86 C84 122.0(14) . .
C85 C86 C84 118.2(13) . .
N8 C87 C89 123.7(15) . .
N8 C87 C85 118.3(13) . .
C89 C87 C85 118.1(14) . .
C90 C88 C86 120.9(15) . .
C90 C88 H88 119.5 . .
C86 C88 H88 119.5 . .
C90 C89 C87 120.8(16) . .
C90 C89 H89 119.6 . .
C87 C89 H89 119.6 . .
C88 C90 C89 122.0(16) . .
C88 C90 H90 119.0 . .
C89 C90 H90 119.0 . .
O27 C91 N8 124.2(16) . .
O27 C91 C92 118.4(15) . .
N8 C91 C92 117.3(14) . .
C94 C92 C93 120.1(17) . .
C94 C92 C91 118.1(16) . .
C93 C92 C91 121.5(14) . .
O3 C93 C92 125.9(14) . .
O3 C93 C97 113.8(14) . .
C92 C93 C97 120.0(15) . .
C92 C94 C95 120.8(17) . .
C92 C94 H94 119.6 . .
C95 C94 H94 119.6 . .
C96 C95 C94 118.9(18) . .
C96 C95 H95 120.6 . .
C94 C95 H95 120.6 . .
C97 C96 C95 122.9(19) . .
C97 C96 H96 118.5 . .
C95 C96 H96 118.5 . .
O4 C97 C96 125.4(16) . .
O4 C97 C93 117.5(14) . .
C96 C97 C93 117.1(17) . .
O34 C98 N7 122.1(16) . .
O34 C98 C99 124.6(16) . .
N7 C98 C99 113.3(13) . .
C101 C99 C100 117.5(15) . .
C101 C99 C98 126.4(15) . .
C100 C99 C98 115.5(14) . .
C102 C100 C99 123.6(18) . .
C102 C100 H100 118.2 . .
C99 C100 H100 118.2 . .
O21 C101 C99 123.5(15) . .
O21 C101 C104 113.1(13) . .
C99 C101 C104 123.3(14) . .
C100 C102 C103 118.6(18) . .
C100 C102 H102 120.7 . .
C103 C102 H102 120.7 . .
C102 C103 C104 118.3(16) . .
C102 C103 H103 120.8 . .
C104 C103 H103 120.8 . .
O22 C104 C101 122.1(13) . .
O22 C104 C103 119.5(13) . .
C101 C104 C103 118.4(14) . .
C107 C105 C106 117.5(16) . .
C107 C105 H105 121.2 . .
C106 C105 H105 121.2 . .
C108 C106 C105 120.3(17) . .
C108 C106 H106 119.9 . .
C105 C106 H106 119.9 . .
C109 C107 C105 122.1(15) . .
C109 C107 N6 119.1(14) . .
C105 C107 N6 118.7(15) . .
C106 C108 C110 122.0(16) . .
C106 C108 H108 119.0 . .
C110 C108 H108 119.0 . .
C107 C109 C111 120.5(15) . .
C107 C109 C110 119.9(14) . .
C111 C109 C110 119.6(14) . .
C108 C110 C109 117.5(14) . .
C108 C110 C112 123.0(15) . .
C109 C110 C112 119.4(14) . .
C113 C111 C109 121.1(15) . .
C113 C111 H111 119.4 . .
C109 C111 H111 119.4 . .
C114 C112 C110 119.5(15) . .
C114 C112 N5 122.6(13) . .
C110 C112 N5 118.0(12) . .
C111 C113 C114 117.9(16) . .
C111 C113 H113 121.0 . .
C114 C113 H113 121.0 . .
C112 C114 C113 122.1(15) . .
C112 C114 H114 118.9 . .
C113 C114 H114 118.9 . .
O36 C115 N6 124.5(17) . .
O36 C115 C116 123.3(18) . .
N6 C115 C116 112.2(14) . .
C118 C116 C117 115.5(17) . .
C118 C116 C115 118.5(17) . .
C117 C116 C115 126.0(16) . .
O12 C117 C116 123.7(14) . .
O12 C117 C120 115.3(14) . .
C116 C117 C120 121.0(15) . .
C119 C118 C116 125.4(18) . .
C119 C118 H118 117.3 . .
C116 C118 H118 117.3 . .
C118 C119 C121 117.3(17) . .
C118 C119 H119 121.3 . .
C121 C119 H119 121.3 . .
C121 C120 O11 121.3(14) . .
C121 C120 C117 121.0(15) . .
O11 C120 C117 117.8(13) . .
C120 C121 C119 119.5(16) . .
C120 C121 H121 120.2 . .
C119 C121 H121 120.2 . .
O26 C122 N5 123.9(15) . .
O26 C122 C123 119.8(14) . .
N5 C122 C123 116.3(14) . .
C124 C123 C125 117.6(13) . .
C124 C123 C122 120.3(13) . .
C125 C123 C122 122.0(13) . .
C124 C123 K4 101.2(10) . 4_576
C125 C123 K4 66.3(8) . 4_576
C122 C123 K4 100.6(9) . 4_576
C126 C124 C123 122.9(15) . .
C126 C124 H124 118.6 . .
C123 C124 H124 118.6 . .
O20 C125 C123 124.4(13) . .
O20 C125 C127 116.9(13) . .
C123 C125 C127 118.5(13) . .
O20 C125 K4 87.8(7) . 4_576
C123 C125 K4 89.1(9) . 4_576
C127 C125 K4 88.9(8) . 4_576
C124 C126 C128 120.2(14) . .
C124 C126 H126 119.9 . .
C128 C126 H126 119.9 . .
O19 C127 C128 121.7(14) . .
O19 C127 C125 116.5(13) . .
C128 C127 C125 121.8(15) . .
O19 C127 K4 99.9(9) . 4_576
C128 C127 K4 104.3(10) . 4_576
C125 C127 K4 66.3(8) . 4_576
C127 C128 C126 118.9(15) . .
C127 C128 H128 120.6 . .
C126 C128 H128 120.6 . .
C131 C129 C130 122.6(15) . .
C131 C129 H129 118.7 . .
C130 C129 H129 118.7 . .
C132 C130 C129 120.3(15) . .
C132 C130 H130 119.8 . .
C129 C130 H130 119.8 . .
C129 C131 C133 121.5(13) . .
C129 C131 N15 122.8(14) . .
C133 C131 N15 115.5(12) . .
C130 C132 C134 120.7(13) . .
C130 C132 H132 119.7 . .
C134 C132 H132 119.7 . .
C131 C133 C135 125.6(14) . .
C131 C133 C134 117.7(14) . .
C135 C133 C134 116.7(15) . .
C136 C134 C132 124.3(13) . .
C136 C134 C133 118.5(14) . .
C132 C134 C133 117.1(14) . .
C137 C135 C133 119.9(14) . .
C137 C135 H135 120.0 . .
C133 C135 H135 120.0 . .
C134 C136 C138 122.1(14) . .
C134 C136 N13 116.9(13) . .
C138 C136 N13 121.0(14) . .
C135 C137 C138 124.8(16) . .
C135 C137 H137 117.6 . .
C138 C137 H137 117.6 . .
C137 C138 C136 117.8(16) . .
C137 C138 H138 121.1 . .
C136 C138 H138 121.1 . .
O53 C139 N13 124.9(14) . .
O53 C139 C140 118.9(14) . .
N13 C139 C140 116.1(14) . .
C141 C140 C145 117.3(13) . .
C141 C140 C139 122.5(14) . .
C145 C140 C139 120.2(15) . .
O23 C141 C140 123.4(12) . .
O23 C141 C142 116.3(13) . .
C140 C141 C142 120.3(13) . .
O24 C142 C143 122.3(12) . .
O24 C142 C141 118.6(12) . .
C143 C142 C141 119.1(13) . .
O24 C142 K4 54.8(7) . 4_576
C143 C142 K4 87.1(8) . 4_576
C141 C142 K4 131.6(9) . 4_576
C142 C143 C144 120.7(13) . .
C142 C143 K4 69.5(8) . 4_576
C144 C143 K4 142.3(12) . 4_576
C142 C143 H143 119.6 . .
C144 C143 H143 119.6 . .
K4 C143 H143 63.5 4_576 .
C145 C144 C143 118.3(15) . .
C145 C144 H144 120.9 . .
C143 C144 H144 120.9 . .
C144 C145 C140 124.0(16) . .
C144 C145 H145 118.0 . .
C140 C145 H145 118.0 . .
O33 C146 N15 123.1(14) . .
O33 C146 C147 121.4(15) . .
N15 C146 C147 115.5(14) . .
C148 C147 C152 119.0(13) . .
C148 C147 C146 122.0(14) . .
C152 C147 C146 118.8(14) . .
O13 C148 C147 124.7(12) . .
O13 C148 C149 115.5(12) . .
C147 C148 C149 119.6(13) . .
O14 C149 C150 124.7(13) . .
O14 C149 C148 117.5(13) . .
C150 C149 C148 117.8(14) . .
O14 C149 K2 57.3(7) . .
C150 C149 K2 92.4(10) . .
C148 C149 K2 122.0(9) . .
C149 C150 C151 121.6(14) . .
C149 C150 H150 119.2 . .
C151 C150 H150 119.2 . .
C152 C151 C150 122.7(14) . .
C152 C151 H151 118.7 . .
C150 C151 H151 118.7 . .
C151 C152 C147 119.1(14) . .
C151 C152 H152 120.4 . .
C147 C152 H152 120.4 . .
C26 N1 C10 128.4(11) . .
C26 N1 H1 115.8 . .
C10 N1 H1 115.8 . .
C19 N2 C15 127.0(12) . .
C19 N2 H2 116.5 . .
C15 N2 H2 116.5 . .
C33 N3 C50 123.6(12) . .
C33 N3 H3 118.2 . .
C50 N3 H3 118.2 . .
C43 N4 C39 127.1(13) . .
C43 N4 H4 116.4 . .
C39 N4 H4 116.4 . .
C122 N5 C112 125.8(13) . .
C122 N5 H5 117.1 . .
C112 N5 H5 117.1 . .
C115 N6 C107 128.2(14) . .
C115 N6 H6 115.9 . .
C107 N6 H6 115.9 . .
C98 N7 C84 126.8(13) . .
C98 N7 H7 116.6 . .
C84 N7 H7 116.6 . .
C91 N8 C87 128.1(14) . .
C91 N8 H8 116.0 . .
C87 N8 H8 116.0 . .
C74 N10 C60 125.0(15) . .
C74 N10 H10 117.5 . .
C60 N10 H10 117.5 . .
C139 N13 C136 129.0(13) . .
C139 N13 H13 115.5 . .
C136 N13 H13 115.5 . .
C67 N14 C63 127.6(13) . .
C67 N14 H14 116.2 . .
C63 N14 H14 116.2 . .
C146 N15 C131 126.0(12) . .
C146 N15 H15 117.0 . .
C131 N15 H15 117.0 . .
C79 O1 Ga1 109.3(11) . .
C79 O1 K7 133.3(11) . .
Ga1 O1 K7 112.3(6) . .
C76 O2 Ga1 111.7(9) . .
C93 O3 Ga1 114.2(9) . .
C97 O4 Ga1 111.3(9) . .
C55 O5 Ga1 110.0(9) . .
C55 O5 K7 94.0(8) . .
Ga1 O5 K7 97.0(4) . .
C56 O6 Ga1 111.1(8) . .
C29 O7 Ga2 111.6(8) . .
C31 O8 Ga2 114.5(8) . .
C73 O9 Ga2 112.3(9) . .
C72 O10 Ga2 113.4(10) . .
C120 O11 Ga2 109.8(8) . .
C117 O12 Ga2 111.6(9) . .
C148 O13 Ga3 112.7(8) . .
C149 O14 Ga3 110.4(8) . .
C149 O14 K2 99.4(9) . .
Ga3 O14 K2 103.9(4) . .
C45 O15 Ga3 113.3(9) . .
C46 O16 Ga3 109.5(8) . .
C46 O16 K8 119.1(9) . .
Ga3 O16 K8 120.2(5) . .
C23 O17 Ga3 109.7(9) . .
C23 O17 K2 143.4(9) . .
Ga3 O17 K2 106.6(4) . .
C21 O18 Ga3 114.2(8) . .
C127 O19 Ga4 111.4(9) . .
C127 O19 K3 125.0(8) . 4_576
Ga4 O19 K3 92.0(4) . 4_576
C125 O20 Ga4 112.2(9) . .
C125 O20 K4 69.2(7) . 4_576
Ga4 O20 K4 93.7(3) . 4_576
C101 O21 Ga4 112.8(9) . .
C104 O22 Ga4 108.6(8) . .
C104 O22 K3 131.9(10) . 4_576
Ga4 O22 K3 86.0(3) . 4_576
C141 O23 Ga4 111.7(8) . .
C142 O24 Ga4 109.8(7) . .
C142 O24 K4 102.1(8) . 4_576
Ga4 O24 K4 114.3(4) . 4_576
C142 O24 K3 139.5(8) . 4_576
Ga4 O24 K3 90.8(4) . 4_576
K4 O24 K3 100.1(3) 4_576 4_576
C122 O26 K3 146.3(12) . .
C91 O27 K3 168.2(11) . .
C67 O28 K4 149.6(12) . .
C26 O29 K8 125.0(9) . 3_766
C19 O32 K7 120.1(10) . 1_656
C50 O37 K5 134.9(9) . .
C50 O37 K2 123.9(9) . 3_666
K5 O37 K2 99.6(3) . 3_666
K7 O39 K6 91.5(8) . 1_454
K5 O40 K2 95.3(3) . 3_666
K5 O41 K1 77.7(4) . 3_666
K4 O42 K3 101.2(4) . .
K1 O43 K5 88.6(4) . 3_666
K2 O44 K6 139.1(6) . 3_767
K6 O46 K7 97.0(6) . 1_656
K8 O47 K6 53.4(4) . .
C2 P1 C3 104.6(12) . .
C2 P1 C1 102.8(12) . .
C3 P1 C1 101.2(12) . .
C2 P1 Au1 112.8(10) . .
C3 P1 Au1 122.5(7) . .
C1 P1 Au1 110.7(8) . .
C4 P2 C5 110.3(10) . .
C4 P2 C6 104.3(12) . .
C5 P2 C6 100.4(13) . .
C4 P2 Au1 113.1(9) . .
C5 P2 Au1 111.7(8) . .
C6 P2 Au1 116.1(9) . .
O2 Ga1 O6 91.2(4) . .
O2 Ga1 O1 84.2(4) . .
O6 Ga1 O1 92.4(5) . .
O2 Ga1 O3 95.7(4) . .
O6 Ga1 O3 92.5(4) . .
O1 Ga1 O3 175.1(5) . .
O2 Ga1 O5 168.9(5) . .
O6 Ga1 O5 82.9(4) . .
O1 Ga1 O5 86.7(5) . .
O3 Ga1 O5 93.9(4) . .
O2 Ga1 O4 92.5(5) . .
O6 Ga1 O4 174.0(5) . .
O1 Ga1 O4 92.8(5) . .
O3 Ga1 O4 82.3(5) . .
O5 Ga1 O4 94.3(5) . .
O2 Ga1 K7 121.3(3) . .
O6 Ga1 K7 100.9(3) . .
O1 Ga1 K7 38.6(4) . .
O3 Ga1 K7 139.9(3) . .
O5 Ga1 K7 51.4(3) . .
O4 Ga1 K7 81.3(4) . .
O8 Ga2 O9 93.1(4) . .
O8 Ga2 O10 93.3(5) . .
O9 Ga2 O10 83.0(4) . .
O8 Ga2 O12 171.0(4) . .
O9 Ga2 O12 95.5(4) . .
O10 Ga2 O12 90.5(4) . .
O8 Ga2 O7 83.3(4) . .
O9 Ga2 O7 94.3(4) . .
O10 Ga2 O7 175.5(4) . .
O12 Ga2 O7 93.3(4) . .
O8 Ga2 O11 89.1(4) . .
O9 Ga2 O11 171.4(4) . .
O10 Ga2 O11 88.6(4) . .
O12 Ga2 O11 82.8(4) . .
O7 Ga2 O11 94.2(4) . .
O18 Ga3 O13 90.6(4) . .
O18 Ga3 O15 95.4(4) . .
O13 Ga3 O15 91.5(4) . .
O18 Ga3 O16 93.8(4) . .
O13 Ga3 O16 173.6(4) . .
O15 Ga3 O16 83.4(4) . .
O18 Ga3 O17 83.3(4) . .
O13 Ga3 O17 95.8(4) . .
O15 Ga3 O17 172.5(4) . .
O16 Ga3 O17 89.3(4) . .
O18 Ga3 O14 169.0(4) . .
O13 Ga3 O14 83.7(4) . .
O15 Ga3 O14 94.2(4) . .
O16 Ga3 O14 92.7(4) . .
O17 Ga3 O14 87.9(4) . .
O18 Ga3 K2 126.6(3) . .
O13 Ga3 K2 99.7(3) . .
O15 Ga3 K2 136.0(3) . .
O16 Ga3 K2 81.4(3) . .
O17 Ga3 K2 43.8(3) . .
O14 Ga3 K2 45.9(3) . .
O22 Ga4 O21 83.3(4) . .
O22 Ga4 O20 173.1(4) . .
O21 Ga4 O20 93.8(4) . .
O22 Ga4 O24 90.9(4) . .
O21 Ga4 O24 173.8(4) . .
O20 Ga4 O24 92.3(4) . .
O22 Ga4 O23 94.4(4) . .
O21 Ga4 O23 94.8(4) . .
O20 Ga4 O23 92.1(4) . .
O24 Ga4 O23 83.6(4) . .
O22 Ga4 O19 91.2(4) . .
O21 Ga4 O19 92.1(4) . .
O20 Ga4 O19 82.6(4) . .
O24 Ga4 O19 90.0(4) . .
O23 Ga4 O19 171.6(4) . .
O22 Ga4 K3 59.2(3) . 4_576
O21 Ga4 K3 123.6(3) . 4_576
O20 Ga4 K3 118.3(3) . 4_576
O24 Ga4 K3 54.0(3) . 4_576
O23 Ga4 K3 126.0(3) . 4_576
O19 Ga4 K3 52.6(3) . 4_576
O22 Ga4 K4 124.2(3) . 4_576
O21 Ga4 K4 147.3(3) . 4_576
O20 Ga4 K4 56.7(3) . 4_576
O24 Ga4 K4 38.8(3) . 4_576
O23 Ga4 K4 99.7(3) . 4_576
O19 Ga4 K4 71.9(3) . 4_576
K3 Ga4 K4 69.13(9) 4_576 4_576
C8 Au1 C7 86.6(7) . .
C8 Au1 P2 87.3(5) . .
C7 Au1 P2 173.9(5) . .
C8 Au1 P1 174.2(5) . .
C7 Au1 P1 87.6(5) . .
P2 Au1 P1 98.50(17) . .
O43 K1 C49 104.1(4) . .
O43 K1 C48 103.0(4) . .
C49 K1 C48 24.3(4) . .
O43 K1 O41 63.9(4) . 3_666
C49 K1 O41 166.2(4) . 3_666
C48 K1 O41 147.2(5) . 3_666
O43 K1 C44 82.8(4) . .
C49 K1 C44 24.5(4) . .
C48 K1 C44 42.1(4) . .
O41 K1 C44 146.3(4) 3_666 .
O43 K1 K5 46.5(3) . 3_666
C49 K1 K5 121.9(3) . 3_666
C48 K1 K5 103.2(4) . 3_666
O41 K1 K5 45.3(3) 3_666 3_666
C44 K1 K5 113.9(3) . 3_666
O37 K2 O17 154.3(4) 3_666 .
O37 K2 O40 74.8(3) 3_666 3_666
O17 K2 O40 81.8(3) . 3_666
O37 K2 O44 90.9(5) 3_666 .
O17 K2 O44 97.6(5) . .
O40 K2 O44 85.6(4) 3_666 .
O37 K2 O14 104.3(3) 3_666 .
O17 K2 O14 58.8(3) . .
O40 K2 O14 75.2(3) 3_666 .
O44 K2 O14 151.1(5) . .
O37 K2 O49 143.8(6) 3_666 .
O17 K2 O49 61.0(6) . .
O40 K2 O49 141.2(5) 3_666 .
O44 K2 O49 88.9(7) . .
O14 K2 O49 92.7(6) . .
O37 K2 O48 76.2(6) 3_666 .
O17 K2 O48 129.4(6) . .
O40 K2 O48 144.5(7) 3_666 .
O44 K2 O48 74.8(7) . .
O14 K2 O48 132.3(7) . .
O49 K2 O48 68.9(8) . .
O37 K2 C149 106.6(3) 3_666 .
O17 K2 C149 66.2(3) . .
O40 K2 C149 98.0(4) 3_666 .
O44 K2 C149 162.5(5) . .
O14 K2 C149 23.3(4) . .
O49 K2 C149 77.5(6) . .
O48 K2 C149 109.6(7) . .
O37 K2 Ga3 128.6(3) 3_666 .
O17 K2 Ga3 29.6(2) . .
O40 K2 Ga3 71.1(2) 3_666 .
O44 K2 Ga3 122.7(4) . .
O14 K2 Ga3 30.22(19) . .
O49 K2 Ga3 80.1(6) . .
O48 K2 Ga3 144.4(7) . .
C149 K2 Ga3 44.5(3) . .
O37 K2 K5 39.3(2) 3_666 3_666
O17 K2 K5 115.0(3) . 3_666
O40 K2 K5 41.3(2) 3_666 3_666
O44 K2 K5 104.2(4) . 3_666
O14 K2 K5 75.3(2) . 3_666
O49 K2 K5 166.8(6) . 3_666
O48 K2 K5 115.3(5) . 3_666
C149 K2 K5 89.4(3) . 3_666
Ga3 K2 K5 91.61(11) . 3_666
O26 K3 O19 145.9(4) . 4_575
O26 K3 O42 104.7(4) . .
O19 K3 O42 86.6(4) 4_575 .
O26 K3 O24 89.3(4) . 4_575
O19 K3 O24 61.3(3) 4_575 4_575
O42 K3 O24 77.9(3) . 4_575
O26 K3 O27 112.3(4) . .
O19 K3 O27 101.5(3) 4_575 .
O42 K3 O27 62.8(4) . .
O24 K3 O27 138.4(4) 4_575 .
O26 K3 O51 107.2(7) . .
O19 K3 O51 81.3(6) 4_575 .
O42 K3 O51 139.1(6) . .
O24 K3 O51 127.0(5) 4_575 .
O27 K3 O51 81.6(6) . .
O26 K3 O22 91.6(4) . 4_575
O19 K3 O22 59.4(3) 4_575 4_575
O42 K3 O22 133.3(4) . 4_575
O24 K3 O22 58.5(3) 4_575 4_575
O27 K3 O22 147.9(4) . 4_575
O51 K3 O22 70.7(5) . 4_575
O26 K3 Ga4 110.5(3) . 4_575
O19 K3 Ga4 35.4(2) 4_575 4_575
O42 K3 Ga4 99.2(3) . 4_575
O24 K3 Ga4 35.15(18) 4_575 4_575
O27 K3 Ga4 136.5(3) . 4_575
O51 K3 Ga4 93.1(5) . 4_575
O22 K3 Ga4 34.74(19) 4_575 4_575
O26 K3 K4 105.8(3) . .
O19 K3 K4 63.2(2) 4_575 .
O42 K3 K4 39.4(3) . .
O24 K3 K4 39.6(2) 4_575 .
O27 K3 K4 99.0(3) . .
O51 K3 K4 143.9(6) . .
O22 K3 K4 94.3(2) 4_575 .
Ga4 K3 K4 61.63(8) 4_575 .
O52 K4 O28 78.8(5) . .
O52 K4 O42 86.7(6) . .
O28 K4 O42 63.1(4) . .
O52 K4 O24 160.8(7) . 4_575
O28 K4 O24 104.8(3) . 4_575
O42 K4 O24 78.6(4) . 4_575
O52 K4 O38 92.2(7) . .
O28 K4 O38 95.8(4) . .
O42 K4 O38 158.7(4) . .
O24 K4 O38 106.0(5) 4_575 .
O52 K4 C125 100.3(6) . 4_575
O28 K4 C125 161.3(4) . 4_575
O42 K4 C125 98.3(4) . 4_575
O24 K4 C125 70.2(3) 4_575 4_575
O38 K4 C125 102.8(4) . 4_575
O52 K4 C142 175.7(7) . 4_575
O28 K4 C142 98.5(3) . 4_575
O42 K4 C142 95.2(4) . 4_575
O24 K4 C142 23.1(3) 4_575 4_575
O38 K4 C142 84.7(5) . 4_575
C125 K4 C142 83.3(4) 4_575 4_575
O52 K4 O20 120.6(5) . 4_575
O28 K4 O20 159.5(3) . 4_575
O42 K4 O20 108.5(3) . 4_575
O24 K4 O20 54.8(2) 4_575 4_575
O38 K4 O20 90.3(4) . 4_575
C125 K4 O20 23.0(3) 4_575 4_575
C142 K4 O20 62.5(3) 4_575 4_575
O52 K4 C123 78.7(5) . 4_575
O28 K4 C123 156.4(4) . 4_575
O42 K4 C123 108.5(4) . 4_575
O24 K4 C123 94.3(3) 4_575 4_575
O38 K4 C123 92.0(4) . 4_575
C125 K4 C123 24.6(4) 4_575 4_575
C142 K4 C123 104.3(3) 4_575 4_575
O20 K4 C123 41.9(3) 4_575 4_575
O52 K4 C127 99.2(7) . 4_575
O28 K4 C127 136.5(4) . 4_575
O42 K4 C127 73.4(4) . 4_575
O24 K4 C127 65.0(3) 4_575 4_575
O38 K4 C127 127.6(4) . 4_575
C125 K4 C127 24.9(4) 4_575 4_575
C142 K4 C127 85.0(4) 4_575 4_575
O20 K4 C127 40.5(3) 4_575 4_575
C123 K4 C127 42.2(4) 4_575 4_575
O52 K4 C143 152.6(6) . 4_575
O28 K4 C143 77.4(3) . 4_575
O42 K4 C143 94.6(4) . 4_575
O24 K4 C143 42.6(3) 4_575 4_575
O38 K4 C143 76.9(5) . 4_575
C125 K4 C143 106.5(4) 4_575 4_575
C142 K4 C143 23.4(3) 4_575 4_575
O20 K4 C143 85.0(3) 4_575 4_575
C123 K4 C143 126.1(3) 4_575 4_575
C127 K4 C143 107.4(4) 4_575 4_575
O52 K4 Ga4 141.5(6) . 4_575
O28 K4 Ga4 130.4(3) . 4_575
O42 K4 Ga4 87.2(3) . 4_575
O24 K4 Ga4 26.85(19) 4_575 4_575
O38 K4 Ga4 106.3(4) . 4_575
C125 K4 Ga4 43.4(3) 4_575 4_575
C142 K4 Ga4 42.6(2) 4_575 4_575
O20 K4 Ga4 29.59(16) 4_575 4_575
C123 K4 Ga4 67.5(2) 4_575 4_575
C127 K4 Ga4 42.9(3) 4_575 4_575
C143 K4 Ga4 65.8(3) 4_575 4_575
O37 K5 O40 78.2(3) . .
O37 K5 O50 100.8(7) . .
O40 K5 O50 125.2(7) . .
O37 K5 O43 99.4(4) . 3_666
O40 K5 O43 81.5(3) . 3_666
O50 K5 O43 149.3(8) . 3_666
O37 K5 O41 118.2(4) . .
O40 K5 O41 149.1(5) . .
O50 K5 O41 79.6(8) . .
O43 K5 O41 70.5(4) 3_666 .
O37 K5 K1 144.4(3) . 3_666
O40 K5 K1 93.9(3) . 3_666
O50 K5 K1 111.7(7) . 3_666
O43 K5 K1 44.9(3) 3_666 3_666
O41 K5 K1 57.1(4) . 3_666
O37 K5 K2 41.1(2) . 3_666
O40 K5 K2 43.4(2) . 3_666
O50 K5 K2 135.0(8) . 3_666
O43 K5 K2 74.0(3) 3_666 3_666
O41 K5 K2 133.4(3) . 3_666
K1 K5 K2 112.44(14) 3_666 3_666
O46 K6 K8 147.3(5) . .
O46 K6 O45 95.6(6) . .
K8 K6 O45 85.0(4) . .
O46 K6 O44 72.0(6) . 3_767
K8 K6 O44 136.9(6) . 3_767
O45 K6 O44 69.9(5) . 3_767
O46 K6 O39 77.9(6) . 1_656
K8 K6 O39 73.7(6) . 1_656
O45 K6 O39 120.1(6) . 1_656
O44 K6 O39 149.3(7) 3_767 1_656
O46 K6 C25 102.6(6) . .
K8 K6 C25 102.9(5) . .
O45 K6 C25 127.2(5) . .
O44 K6 C25 69.7(5) 3_767 .
O39 K6 C25 112.0(6) 1_656 .
O46 K6 C22 89.7(5) . .
K8 K6 C22 104.4(4) . .
O45 K6 C22 153.2(4) . .
O44 K6 C22 87.0(4) 3_767 .
O39 K6 C22 86.7(6) 1_656 .
C25 K6 C22 26.7(4) . .
O46 K6 O47 145.4(5) . .
K8 K6 O47 57.0(4) . .
O45 K6 O47 54.9(4) . .
O44 K6 O47 80.0(5) 3_767 .
O39 K6 O47 130.3(6) 1_656 .
C25 K6 O47 85.8(4) . .
C22 K6 O47 109.1(4) . .
O46 K6 C24 126.2(5) . .
K8 K6 C24 80.9(4) . .
O45 K6 C24 117.1(5) . .
O44 K6 C24 80.4(5) 3_767 .
O39 K6 C24 113.7(5) 1_656 .
C25 K6 C24 23.5(4) . .
C22 K6 C24 42.7(4) . .
O47 K6 C24 66.4(4) . .
O46 K6 C20 100.3(5) . .
K8 K6 C20 84.6(4) . .
O45 K6 C20 163.1(5) . .
O44 K6 C20 109.9(4) 3_767 .
O39 K6 C20 69.2(5) 1_656 .
C25 K6 C20 43.4(4) . .
C22 K6 C20 23.2(4) . .
O47 K6 C20 108.3(4) . .
C24 K6 C20 48.0(4) . .
O46 K6 K7 44.6(4) . 1_656
K8 K6 K7 115.6(4) . 1_656
O45 K6 K7 134.0(4) . 1_656
O44 K6 K7 106.9(4) 3_767 1_656
O39 K6 K7 44.0(6) 1_656 1_656
C25 K6 K7 89.7(4) . 1_656
C22 K6 K7 64.7(3) . 1_656
O47 K6 K7 169.9(3) . 1_656
C24 K6 K7 106.9(3) . 1_656
C20 K6 K7 62.7(3) . 1_656
O1 K7 O32 159.3(5) . 1_454
O1 K7 O5 58.6(3) . .
O32 K7 O5 103.4(4) 1_454 .
O1 K7 O39 109.0(5) . .
O32 K7 O39 84.2(5) 1_454 .
O5 K7 O39 157.7(5) . .
O1 K7 O46 62.1(5) . 1_454
O32 K7 O46 109.1(5) 1_454 1_454
O5 K7 O46 84.4(4) . 1_454
O39 K7 O46 73.2(5) . 1_454
O1 K7 C55 63.4(4) . .
O32 K7 C55 96.0(4) 1_454 .
O5 K7 C55 23.6(3) . .
O39 K7 C55 136.2(5) . .
O46 K7 C55 65.3(4) 1_454 .
O1 K7 C19 162.9(5) . 1_454
O32 K7 C19 18.8(3) 1_454 1_454
O5 K7 C19 120.3(4) . 1_454
O39 K7 C19 65.4(5) . 1_454
O46 K7 C19 101.0(5) 1_454 1_454
C55 K7 C19 108.5(4) . 1_454
O1 K7 Ga1 29.1(3) . .
O32 K7 Ga1 134.8(3) 1_454 .
O5 K7 Ga1 31.5(2) . .
O39 K7 Ga1 138.0(4) . .
O46 K7 Ga1 78.1(3) 1_454 .
C55 K7 Ga1 45.0(2) . .
C19 K7 Ga1 151.7(3) 1_454 .
O1 K7 K6 98.1(4) . 1_454
O32 K7 K6 79.9(3) 1_454 1_454
O5 K7 K6 115.4(3) . 1_454
O39 K7 K6 44.5(4) . 1_454
O46 K7 K6 38.4(3) 1_454 1_454
C55 K7 K6 92.2(3) . 1_454
C19 K7 K6 66.2(3) 1_454 1_454
Ga1 K7 K6 116.4(2) . 1_454
O16 K8 K6 134.5(5) . .
O16 K8 O29 105.9(5) . 3_766
K6 K8 O29 118.4(5) . 3_766
O16 K8 O47 109.9(6) . .
K6 K8 O47 69.7(4) . .
O29 K8 O47 105.0(6) 3_766 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 P1 1.79(2) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 P1 1.75(2) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 P1 1.76(2) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 P2 1.80(2) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 P2 1.82(2) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 P2 1.83(2) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 Au1 2.100(14) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 Au1 2.089(19) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C11 1.40(2) .
C9 C13 1.429(19) .
C9 H9 0.9500 .
C10 C12 1.39(2) .
C10 C14 1.41(2) .
C10 N1 1.434(17) .
C11 C12 1.38(2) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C15 1.42(2) .
C13 C14 1.455(18) .
C14 C16 1.43(2) .
C15 C17 1.38(2) .
C15 N2 1.389(18) .
C16 C18 1.38(2) .
C16 H16 0.9500 .
C17 C18 1.41(2) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 O32 1.259(18) .
C19 N2 1.37(2) .
C19 C20 1.47(2) .
C19 K7 3.373(16) 1_656
C20 C22 1.37(2) .
C20 C21 1.39(2) .
C20 K6 3.485(15) .
C21 O18 1.304(16) .
C21 C23 1.46(2) .
C22 C25 1.45(2) .
C22 K6 3.193(18) .
C22 H22 0.9500 .
C23 O17 1.325(17) .
C23 C24 1.40(2) .
C24 C25 1.37(2) .
C24 K6 3.431(18) .
C24 H24 0.9500 .
C25 K6 3.11(2) .
C25 H25 0.9500 .
C26 O29 1.256(17) .
C26 N1 1.360(17) .
C26 C27 1.50(2) .
C27 C28 1.41(2) .
C27 C29 1.41(2) .
C28 C30 1.41(2) .
C28 H28 0.9500 .
C29 O7 1.327(16) .
C29 C31 1.470(19) .
C30 C32 1.38(2) .
C30 H30 0.9500 .
C31 C32 1.31(2) .
C31 O8 1.376(18) .
C32 H32 0.9500 .
C33 C36 1.36(2) .
C33 N3 1.391(18) .
C33 C38 1.45(2) .
C34 C35 1.39(2) .
C34 C37 1.40(2) .
C34 H34 0.9500 .
C35 C36 1.43(2) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 C39 1.45(2) .
C37 C38 1.45(2) .
C38 C40 1.43(2) .
C39 C41 1.39(2) .
C39 N4 1.416(19) .
C40 C42 1.38(2) .
C40 H40 0.9500 .
C41 C42 1.36(2) .
C41 H41 0.9500 .
C42 H42 0.9500 .
C43 O31 1.277(19) .
C43 N4 1.332(19) .
C43 C44 1.46(2) .
C44 C45 1.36(2) .
C44 C49 1.45(2) .
C44 K1 3.493(15) .
C45 O15 1.339(17) .
C45 C46 1.43(2) .
C46 O16 1.35(2) .
C46 C47 1.42(2) .
C47 C48 1.38(2) .
C47 H47 0.9500 .
C48 C49 1.36(2) .
C48 K1 3.27(2) .
C48 H48 0.9500 .
C49 K1 3.17(2) .
C49 H49 0.9500 .
C50 O37 1.240(17) .
C50 N3 1.396(18) .
C50 C51 1.47(2) .
C51 C56 1.410(19) .
C51 C52 1.45(2) .
C52 C53 1.37(2) .
C52 H52 0.9500 .
C53 C54 1.37(2) .
C53 H53 0.9500 .
C54 C55 1.40(2) .
C54 H54 0.9500 .
C55 O5 1.338(17) .
C55 C56 1.415(19) .
C55 K7 3.330(14) .
C56 O6 1.328(15) .
C57 C59 1.37(2) .
C57 C58 1.41(2) .
C57 H57 0.9500 .
C58 C60 1.34(2) .
C58 H58 0.9500 .
C59 C61 1.45(2) .
C59 H59 0.9500 .
C60 N10 1.424(19) .
C60 C62 1.45(2) .
C61 C62 1.38(2) .
C61 C63 1.41(2) .
C62 C64 1.41(2) .
C63 C65 1.34(2) .
C63 N14 1.46(2) .
C64 C66 1.33(3) .
C64 H64 0.9500 .
C65 C66 1.40(3) .
C65 H65 0.9500 .
C66 H66 0.9500 .
C67 O28 1.254(19) .
C67 N14 1.36(2) .
C67 C68 1.45(2) .
C68 C73 1.39(2) .
C68 C69 1.41(2) .
C69 C70 1.38(2) .
C69 H69 0.9500 .
C70 C71 1.41(2) .
C70 H70 0.9500 .
C71 C72 1.37(2) .
C71 H71 0.9500 .
C72 O10 1.337(18) .
C72 C73 1.45(2) .
C73 O9 1.345(16) .
C74 O30 1.25(2) .
C74 N10 1.33(2) .
C74 C75 1.51(3) .
C75 C76 1.37(2) .
C75 C77 1.44(3) .
C76 O2 1.345(18) .
C76 C79 1.38(3) .
C77 C78 1.29(3) .
C77 H77 0.9500 .
C78 C80 1.40(3) .
C78 H78 0.9500 .
C79 C80 1.38(3) .
C79 O1 1.41(2) .
C80 H80 0.9500 .
C81 C83 1.40(2) .
C81 C82 1.40(2) .
C81 H81 0.9500 .
C82 C84 1.39(2) .
C82 H82 0.9500 .
C83 C85 1.41(2) .
C83 H83 0.9500 .
C84 N7 1.40(2) .
C84 C86 1.45(2) .
C85 C86 1.43(2) .
C85 C87 1.47(2) .
C86 C88 1.41(2) .
C87 N8 1.38(2) .
C87 C89 1.40(2) .
C88 C90 1.34(2) .
C88 H88 0.9500 .
C89 C90 1.39(3) .
C89 H89 0.9500 .
C90 H90 0.9500 .
C91 O27 1.257(19) .
C91 N8 1.33(2) .
C91 C92 1.49(2) .
C92 C94 1.34(2) .
C92 C93 1.43(2) .
C93 O3 1.340(19) .
C93 C97 1.47(2) .
C94 C95 1.42(3) .
C94 H94 0.9500 .
C95 C96 1.41(3) .
C95 H95 0.9500 .
C96 C97 1.36(2) .
C96 H96 0.9500 .
C97 O4 1.32(2) .
C98 O34 1.235(18) .
C98 N7 1.36(2) .
C98 C99 1.44(2) .
C99 C101 1.38(2) .
C99 C100 1.42(3) .
C100 C102 1.37(3) .
C100 H100 0.9500 .
C101 O21 1.326(17) .
C101 C104 1.40(2) .
C102 C103 1.45(3) .
C102 H102 0.9500 .
C103 C104 1.46(2) .
C103 H103 0.9500 .
C104 O22 1.312(17) .
C105 C107 1.40(2) .
C105 C106 1.43(2) .
C105 H105 0.9500 .
C106 C108 1.36(2) .
C106 H106 0.9500 .
C107 C109 1.36(2) .
C107 N6 1.45(2) .
C108 C110 1.41(2) .
C108 H108 0.9500 .
C109 C111 1.43(2) .
C109 C110 1.44(2) .
C110 C112 1.44(2) .
C111 C113 1.38(2) .
C111 H111 0.9500 .
C112 C114 1.35(2) .
C112 N5 1.44(2) .
C113 C114 1.48(3) .
C113 H113 0.9500 .
C114 H114 0.9500 .
C115 O36 1.19(2) .
C115 N6 1.37(2) .
C115 C116 1.49(3) .
C116 C118 1.39(3) .
C116 C117 1.39(2) .
C117 O12 1.345(18) .
C117 C120 1.43(2) .
C118 C119 1.37(3) .
C118 H118 0.9500 .
C119 C121 1.43(3) .
C119 H119 0.9500 .
C120 C121 1.35(2) .
C120 O11 1.349(18) .
C121 H121 0.9500 .
C122 O26 1.255(19) .
C122 N5 1.32(2) .
C122 C123 1.46(2) .
C123 C124 1.42(2) .
C123 C125 1.43(2) .
C123 K4 3.423(15) 4_576
C124 C126 1.36(2) .
C124 H124 0.9500 .
C125 O20 1.310(16) .
C125 C127 1.44(2) .
C125 K4 3.135(13) 4_576
C126 C128 1.43(2) .
C126 H126 0.9500 .
C127 O19 1.322(18) .
C127 C128 1.37(2) .
C127 K4 3.424(16) 4_576
C128 H128 0.9500 .
C129 C131 1.33(2) .
C129 C130 1.40(2) .
C129 H129 0.9500 .
C130 C132 1.35(2) .
C130 H130 0.9500 .
C131 C133 1.40(2) .
C131 N15 1.428(17) .
C132 C134 1.45(2) .
C132 H132 0.9500 .
C133 C135 1.44(2) .
C133 C134 1.487(19) .
C134 C136 1.40(2) .
C135 C137 1.36(2) .
C135 H135 0.9500 .
C136 C138 1.41(2) .
C136 N13 1.425(18) .
C137 C138 1.37(2) .
C137 H137 0.9500 .
C138 H138 0.9500 .
C139 O53 1.283(19) .
C139 N13 1.317(19) .
C139 C140 1.48(2) .
C140 C141 1.40(2) .
C140 C145 1.42(2) .
C141 O23 1.305(17) .
C141 C142 1.432(18) .
C142 O24 1.324(17) .
C142 C143 1.399(19) .
C142 K4 3.294(15) 4_576
C143 C144 1.42(2) .
C143 K4 3.512(14) 4_576
C143 H143 0.9500 .
C144 C145 1.35(2) .
C144 H144 0.9500 .
C145 H145 0.9500 .
C146 O33 1.23(2) .
C146 N15 1.36(2) .
C146 C147 1.48(2) .
C147 C148 1.41(2) .
C147 C152 1.44(2) .
C148 O13 1.332(16) .
C148 C149 1.453(19) .
C149 O14 1.337(19) .
C149 C150 1.38(2) .
C149 K2 3.340(16) .
C150 C151 1.38(2) .
C150 H150 0.9500 .
C151 C152 1.34(2) .
C151 H151 0.9500 .
C152 H152 0.9500 .
N1 H1 0.8800 .
N2 H2 0.8800 .
N3 H3 0.8800 .
N4 H4 0.8800 .
N5 H5 0.8800 .
N6 H6 0.8800 .
N7 H7 0.8800 .
N8 H8 0.8800 .
N10 H10 0.8800 .
N13 H13 0.8800 .
N14 H14 0.8800 .
N15 H15 0.8800 .
O1 Ga1 1.973(11) .
O1 K7 2.531(12) .
O2 Ga1 1.956(10) .
O3 Ga1 1.973(10) .
O4 Ga1 2.015(11) .
O5 Ga1 1.977(10) .
O5 K7 2.958(13) .
O6 Ga1 1.969(10) .
O7 Ga2 1.987(8) .
O8 Ga2 1.955(9) .
O9 Ga2 1.968(9) .
O10 Ga2 1.976(10) .
O11 Ga2 1.993(9) .
O12 Ga2 1.981(9) .
O13 Ga3 1.965(9) .
O14 Ga3 1.997(9) .
O14 K2 2.850(11) .
O15 Ga3 1.977(9) .
O16 Ga3 1.981(9) .
O16 K8 2.753(16) .
O17 Ga3 1.986(10) .
O17 K2 2.780(10) .
O18 Ga3 1.963(9) .
O19 Ga4 1.996(10) .
O19 K3 2.735(10) 4_576
O20 Ga4 1.979(9) .
O20 K4 3.351(9) 4_576
O21 Ga4 1.971(8) .
O22 Ga4 1.967(10) .
O22 K3 2.965(10) 4_576
O23 Ga4 1.983(10) .
O24 Ga4 1.982(9) .
O24 K4 2.752(10) 4_576
O24 K3 2.786(11) 4_576
O26 K3 2.604(12) .
O27 K3 2.923(12) .
O28 K4 2.714(11) .
O29 K8 2.851(16) 3_766
O32 K7 2.562(13) 1_656
O37 K5 2.643(12) .
O37 K2 2.745(10) 3_666
O38 K4 2.91(3) .
O39 K7 3.01(3) .
O39 K6 3.04(2) 1_454
O40 K5 2.730(11) .
O40 K2 2.838(12) 3_666
O41 K5 2.796(14) .
O41 K1 3.303(18) 3_666
O42 K4 2.746(14) .
O42 K3 2.752(15) .
O43 K1 2.717(14) .
O43 K5 2.790(15) 3_666
O44 K2 2.847(16) .
O44 K6 2.962(17) 3_767
O45 K6 2.907(18) .
O46 K6 2.712(16) .
O46 K7 3.07(2) 1_656
O47 K8 2.94(2) .
O47 K6 3.290(15) .
O48 K2 2.96(3) .
O49 K2 2.93(2) .
O50 K5 2.76(2) .
O51 K3 2.93(2) .
O52 K4 2.71(2) .
P1 Au1 2.388(5) .
P2 Au1 2.343(5) .
Ga1 K7 3.754(6) .
Ga3 K2 3.851(4) .
Ga4 K3 3.443(4) 4_576
Ga4 K4 4.000(4) 4_576
K1 O41 3.303(18) 3_666
K1 K5 3.845(7) 3_666
K2 O37 2.745(10) 3_666
K2 O40 2.838(12) 3_666
K2 K5 4.115(5) 3_666
K3 O19 2.736(10) 4_575
K3 O24 2.787(11) 4_575
K3 O22 2.965(10) 4_575
K3 Ga4 3.443(4) 4_575
K3 K4 4.247(6) .
K4 O24 2.752(10) 4_575
K4 C125 3.135(13) 4_575
K4 C142 3.294(15) 4_575
K4 O20 3.351(9) 4_575
K4 C123 3.423(15) 4_575
K4 C127 3.424(16) 4_575
K4 C143 3.513(14) 4_575
K4 Ga4 4.000(4) 4_575
K5 O43 2.790(15) 3_666
K5 K1 3.845(7) 3_666
K5 K2 4.115(5) 3_666
K6 K8 2.815(13) .
K6 O44 2.962(17) 3_767
K6 O39 3.04(2) 1_656
K6 K7 4.337(10) 1_656
K7 O32 2.562(13) 1_454
K7 O46 3.07(2) 1_454
K7 C19 3.373(16) 1_454
K7 K6 4.338(10) 1_454
K8 O29 2.851(16) 3_766
