#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:15:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179101 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/63/4306306.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_4306306
loop_
_publ_author_name
'M. Angeles Alvarez'
'Inmaculada Amor'
'M. Esther García'
'Miguel A. Ruiz'
_publ_section_title
;
Aurophilic Self-Assembly of a Mo4Au2 Phosphinidene Complex with an
Unprecedented H-Shaped Planar Metal Core
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7963
_journal_page_last               7965
_journal_paper_doi               10.1021/ic8011487
_journal_volume                  47
_journal_year                    2008
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C34 H47 Au Mo2 O2 P S, F6 P, C H2 Cl2'
_chemical_formula_sum            'C35 H49 Au Cl2 F6 Mo2 O2 P2 S'
_chemical_formula_weight         1169.49
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 112.0560(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5381(2)
_cell_length_b                   26.1255(5)
_cell_length_c                   19.61610(10)
_cell_measurement_reflns_used    8270
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      73.5846
_cell_measurement_theta_min      2.9589
_cell_measurement_wavelength     1.54184
_cell_volume                     4055.39(13)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device_type  'ONYX CCD'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Nova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0608
_diffrn_reflns_av_unetI/netI     0.067
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            20168
_diffrn_reflns_theta_full        70
_diffrn_reflns_theta_max         73.76
_diffrn_reflns_theta_min         2.96
_exptl_absorpt_coefficient_mu    14.606
_exptl_absorpt_correction_T_max  0.86
_exptl_absorpt_correction_T_min  0.5565
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.915
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2288
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.731
_refine_diff_density_min         -1.834
_refine_diff_density_rms         0.221
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     464
_refine_ls_number_reflns         7693
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.084
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0529P)²+55.7348P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1251
_refine_ls_wR_factor_ref         0.1429
_reflns_number_gt                5401
_reflns_number_total             7693
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8011487_si_002_1.cif
_cod_data_source_block           compound5
_cod_original_cell_volume        4055.39(12)
_cod_database_code               4306306
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.31511(10) 0.95996(3) 0.65371(4) 0.02479(18) Uani 1 1 d . . .
Mo2 Mo 0.54078(9) 0.82871(3) 0.81728(4) 0.02019(17) Uani 1 1 d . . .
Au1 Au 0.40314(5) 0.964807(15) 0.80456(2) 0.02603(12) Uani 1 1 d . . .
P1 P 0.4798(3) 0.89927(9) 0.73736(13) 0.0226(5) Uani 1 1 d . . .
O1 O -0.0164(10) 0.9618(3) 0.6854(5) 0.0418(19) Uani 1 1 d . . .
O2 O 0.1048(12) 0.8706(3) 0.5579(5) 0.052(2) Uani 1 1 d . . .
C1 C 0.1076(14) 0.9606(4) 0.6754(6) 0.032(2) Uani 1 1 d . . .
C2 C 0.1837(13) 0.9018(4) 0.5933(6) 0.035(2) Uani 1 1 d . . .
C3 C 0.4765(14) 1.0347(4) 0.6656(6) 0.034(2) Uani 1 1 d . . .
H3 H 0.5394 1.0484 0.7115 0.041 Uiso 1 1 calc R . .
C4 C 0.5343(14) 0.9987(4) 0.6280(6) 0.033(2) Uani 1 1 d . . .
H4 H 0.6419 0.9844 0.6445 0.039 Uiso 1 1 calc R . .
C5 C 0.4034(16) 0.9878(4) 0.5616(6) 0.039(3) Uani 1 1 d . . .
H5 H 0.4091 0.9654 0.5257 0.047 Uiso 1 1 calc R . .
C6 C 0.2608(16) 1.0164(5) 0.5579(7) 0.047(3) Uani 1 1 d . . .
H6 H 0.1552 1.0155 0.5199 0.056 Uiso 1 1 calc R . .
C7 C 0.3066(15) 1.0468(4) 0.6224(7) 0.039(3) Uani 1 1 d . . .
H7 H 0.2382 1.0701 0.6341 0.047 Uiso 1 1 calc R . .
C8 C 0.2589(12) 0.8366(4) 0.7995(5) 0.024(2) Uani 1 1 d . . .
H8 H 0.1928 0.8616 0.768 0.029 Uiso 1 1 calc R . .
C9 C 0.3536(13) 0.8428(5) 0.8764(6) 0.034(2) Uani 1 1 d . . .
H9 H 0.3571 0.8721 0.9041 0.041 Uiso 1 1 calc R . .
C10 C 0.4397(13) 0.7973(4) 0.9026(6) 0.029(2) Uani 1 1 d . . .
H10 H 0.5132 0.7907 0.9505 0.035 Uiso 1 1 calc R . .
C11 C 0.3946(14) 0.7632(4) 0.8430(6) 0.032(2) Uani 1 1 d . . .
H11 H 0.434 0.7297 0.8455 0.038 Uiso 1 1 calc R . .
C12 C 0.2826(14) 0.7865(4) 0.7797(6) 0.035(2) Uani 1 1 d . . .
H12 H 0.2332 0.7717 0.7333 0.042 Uiso 1 1 calc R . .
C13 C 0.6969(11) 0.8736(3) 0.7734(5) 0.0213(19) Uani 1 1 d . . .
C14 C 0.7816(11) 0.8792(3) 0.8515(5) 0.0206(19) Uani 1 1 d . . .
C15 C 0.8229(11) 0.8339(3) 0.8939(5) 0.0205(19) Uani 1 1 d . . .
H15 H 0.8668 0.8363 0.9449 0.025 Uiso 1 1 calc R . .
C16 C 0.7991(12) 0.7847(3) 0.8604(5) 0.023(2) Uani 1 1 d . . .
C17 C 0.7247(11) 0.7809(4) 0.7838(5) 0.0217(19) Uani 1 1 d . . .
H17 H 0.7011 0.7485 0.7627 0.026 Uiso 1 1 calc R . .
C18 C 0.6843(12) 0.8237(3) 0.7373(5) 0.0195(18) Uani 1 1 d . . .
C19 C 0.8574(12) 0.9298(3) 0.8917(5) 0.0229(19) Uani 1 1 d . . .
C20 C 1.0507(12) 0.9221(4) 0.9189(5) 0.029(2) Uani 1 1 d . . .
H20A H 1.0823 0.9158 0.8776 0.043 Uiso 1 1 calc R . .
H20B H 1.0831 0.8935 0.9519 0.043 Uiso 1 1 calc R . .
H20C H 1.1069 0.9524 0.9442 0.043 Uiso 1 1 calc R . .
C21 C 0.8163(12) 0.9758(4) 0.8394(5) 0.0233(19) Uiso 1 1 d . . .
H21A H 0.6971 0.9825 0.8216 0.035 Uiso 1 1 calc R . .
H21B H 0.8488 0.9683 0.7986 0.035 Uiso 1 1 calc R . .
H21C H 0.8771 1.0052 0.8652 0.035 Uiso 1 1 calc R . .
C22 C 0.8054(14) 0.9417(4) 0.9565(5) 0.030(2) Uani 1 1 d . . .
H22A H 0.861 0.9724 0.9805 0.045 Uiso 1 1 calc R . .
H22B H 0.8372 0.9138 0.9908 0.045 Uiso 1 1 calc R . .
H22C H 0.6852 0.9464 0.9389 0.045 Uiso 1 1 calc R . .
C23 C 0.6520(13) 0.8151(4) 0.6556(5) 0.026(2) Uani 1 1 d . . .
C24 C 0.6584(16) 0.8659(4) 0.6164(6) 0.038(3) Uani 1 1 d . . .
H24A H 0.6638 0.8587 0.5693 0.057 Uiso 1 1 calc R . .
H24B H 0.7567 0.885 0.6458 0.057 Uiso 1 1 calc R . .
H24C H 0.5588 0.8856 0.6097 0.057 Uiso 1 1 calc R . .
C25 C 0.4873(16) 0.7878(5) 0.6154(5) 0.041(3) Uani 1 1 d . . .
H25A H 0.4819 0.7574 0.6419 0.061 Uiso 1 1 calc R . .
H25B H 0.4805 0.7787 0.5669 0.061 Uiso 1 1 calc R . .
H25C H 0.3948 0.8099 0.6117 0.061 Uiso 1 1 calc R . .
C26 C 0.8008(17) 0.7820(5) 0.6544(6) 0.046(3) Uani 1 1 d . . .
H26A H 0.7991 0.7495 0.677 0.068 Uiso 1 1 calc R . .
H26B H 0.9055 0.7991 0.681 0.068 Uiso 1 1 calc R . .
H26C H 0.7902 0.7767 0.6044 0.068 Uiso 1 1 calc R . .
C27 C 0.8720(13) 0.7371(4) 0.9086(5) 0.027(2) Uani 1 1 d . . .
C28 C 1.0649(13) 0.7420(4) 0.9339(5) 0.030(2) Uani 1 1 d . . .
H28A H 1.1179 0.7129 0.9634 0.045 Uiso 1 1 calc R . .
H28B H 1.1016 0.7727 0.9625 0.045 Uiso 1 1 calc R . .
H28C H 1.0958 0.7436 0.8917 0.045 Uiso 1 1 calc R . .
C29 C 0.8176(15) 0.6874(4) 0.8645(6) 0.032(2) Uani 1 1 d . . .
H29A H 0.6965 0.686 0.8427 0.049 Uiso 1 1 calc R . .
H29B H 0.8594 0.6586 0.8966 0.049 Uiso 1 1 calc R . .
H29C H 0.8629 0.6866 0.8265 0.049 Uiso 1 1 calc R . .
C30 C 0.8215(13) 0.7335(4) 0.9753(5) 0.028(2) Uani 1 1 d . . .
H30A H 0.7029 0.7262 0.9592 0.043 Uiso 1 1 calc R . .
H30B H 0.8454 0.7654 1.0015 0.043 Uiso 1 1 calc R . .
H30C H 0.8846 0.7066 1.0071 0.043 Uiso 1 1 calc R . .
S1 S 0.3603(3) 1.01509(9) 0.89580(13) 0.0280(5) Uani 1 1 d . . .
C31 C 0.1821(13) 1.0554(4) 0.8407(6) 0.033(2) Uani 1 1 d . . .
H31A H 0.1137 1.0381 0.7956 0.04 Uiso 1 1 calc R . .
H31B H 0.1114 1.0637 0.8681 0.04 Uiso 1 1 calc R . .
C32 C 0.2613(16) 1.1038(4) 0.8240(7) 0.044(3) Uani 1 1 d . . .
H32A H 0.3011 1.0978 0.7844 0.053 Uiso 1 1 calc R . .
H32B H 0.1804 1.1317 0.8102 0.053 Uiso 1 1 calc R . .
C33 C 0.4075(17) 1.1158(5) 0.8953(8) 0.049(3) Uani 1 1 d . . .
H33A H 0.4751 1.1435 0.8879 0.059 Uiso 1 1 calc R . .
H33B H 0.3656 1.126 0.9329 0.059 Uiso 1 1 calc R . .
C34 C 0.5129(14) 1.0675(4) 0.9186(7) 0.038(3) Uani 1 1 d . . .
H34A H 0.58 1.0681 0.9709 0.045 Uiso 1 1 calc R . .
H34B H 0.5881 1.064 0.8921 0.045 Uiso 1 1 calc R . .
C35 C 0.2332(16) 0.8738(5) 0.3557(6) 0.043(3) Uani 1 1 d . . .
H35A H 0.1669 0.8426 0.3441 0.052 Uiso 1 1 calc R . .
H35B H 0.2679 0.8812 0.3149 0.052 Uiso 1 1 calc R . .
Cl1 Cl 0.4116(4) 0.86448(12) 0.43505(17) 0.0502(8) Uani 1 1 d . . .
Cl2 Cl 0.1085(5) 0.92393(13) 0.3656(3) 0.0754(13) Uani 1 1 d . . .
P2 P 0.1592(3) 0.66466(10) 0.64492(14) 0.0298(6) Uani 1 1 d . . .
F1 F 0.1776(9) 0.6060(2) 0.6694(4) 0.0504(18) Uani 1 1 d . . .
F2 F 0.1407(8) 0.7230(2) 0.6216(3) 0.0387(15) Uani 1 1 d . . .
F3 F 0.3506(8) 0.6743(3) 0.6989(4) 0.0434(16) Uani 1 1 d . . .
F4 F -0.0326(8) 0.6547(2) 0.5916(3) 0.0379(14) Uani 1 1 d . . .
F5 F 0.2185(9) 0.6511(3) 0.5793(4) 0.0470(17) Uani 1 1 d . . .
F6 F 0.0970(9) 0.6777(3) 0.7104(3) 0.0422(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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.298 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
C1 Mo1 C2 77.6(4) . . ?
C1 Mo1 C6 104.5(5) . . ?
C2 Mo1 C6 96.2(5) . . ?
C1 Mo1 C5 138.3(4) . . ?
C2 Mo1 C5 92.9(5) . . ?
C6 Mo1 C5 35.5(5) . . ?
C1 Mo1 P1 101.9(3) . . ?
C2 Mo1 P1 87.5(3) . . ?
C6 Mo1 P1 153.5(4) . . ?
C5 Mo1 P1 118.3(3) . . ?
C1 Mo1 C4 153.9(4) . . ?
C2 Mo1 C4 121.2(4) . . ?
C6 Mo1 C4 58.6(4) . . ?
C5 Mo1 C4 34.7(4) . . ?
P1 Mo1 C4 97.2(3) . . ?
C1 Mo1 C7 96.1(4) . . ?
C2 Mo1 C7 128.8(4) . . ?
C6 Mo1 C7 35.6(5) . . ?
C5 Mo1 C7 58.7(4) . . ?
P1 Mo1 C7 142.4(3) . . ?
C4 Mo1 C7 58.3(4) . . ?
C1 Mo1 C3 120.8(4) . . ?
C2 Mo1 C3 150.5(5) . . ?
C6 Mo1 C3 58.5(4) . . ?
C5 Mo1 C3 57.8(4) . . ?
P1 Mo1 C3 108.6(3) . . ?
C4 Mo1 C3 34.6(4) . . ?
C7 Mo1 C3 35.1(4) . . ?
C1 Mo1 Au1 71.0(3) . . ?
C2 Mo1 Au1 122.4(3) . . ?
C6 Mo1 Au1 137.4(3) . . ?
C5 Mo1 Au1 141.3(3) . . ?
P1 Mo1 Au1 55.23(6) . . ?
C4 Mo1 Au1 107.0(3) . . ?
C7 Mo1 Au1 101.8(3) . . ?
C3 Mo1 Au1 86.7(3) . . ?
C13 Mo2 C11 163.0(4) . . ?
C13 Mo2 C17 66.0(3) . . ?
C11 Mo2 C17 98.4(4) . . ?
C13 Mo2 C10 158.4(4) . . ?
C11 Mo2 C10 35.6(4) . . ?
C17 Mo2 C10 120.0(4) . . ?
C13 Mo2 C8 130.5(3) . . ?
C11 Mo2 C8 58.4(4) . . ?
C17 Mo2 C8 142.7(3) . . ?
C10 Mo2 C8 59.2(4) . . ?
C13 Mo2 C15 65.4(3) . . ?
C11 Mo2 C15 115.0(4) . . ?
C17 Mo2 C15 63.9(3) . . ?
C10 Mo2 C15 97.6(4) . . ?
C8 Mo2 C15 149.8(3) . . ?
C13 Mo2 C14 37.0(3) . . ?
C11 Mo2 C14 149.4(4) . . ?
C17 Mo2 C14 76.4(3) . . ?
C10 Mo2 C14 121.7(4) . . ?
C8 Mo2 C14 138.9(3) . . ?
C15 Mo2 C14 35.5(3) . . ?
C13 Mo2 C12 141.1(4) . . ?
C11 Mo2 C12 35.2(4) . . ?
C17 Mo2 C12 108.8(4) . . ?
C10 Mo2 C12 59.4(4) . . ?
C8 Mo2 C12 35.3(4) . . ?
C15 Mo2 C12 150.0(4) . . ?
C14 Mo2 C12 173.7(4) . . ?
C13 Mo2 C18 37.8(3) . . ?
C11 Mo2 C18 125.2(3) . . ?
C17 Mo2 C18 35.3(3) . . ?
C10 Mo2 C18 154.8(3) . . ?
C8 Mo2 C18 133.3(3) . . ?
C15 Mo2 C18 76.0(3) . . ?
C14 Mo2 C18 66.0(3) . . ?
C12 Mo2 C18 115.8(4) . . ?
C13 Mo2 C9 138.3(4) . . ?
C11 Mo2 C9 58.3(4) . . ?
C17 Mo2 C9 154.5(4) . . ?
C10 Mo2 C9 35.0(4) . . ?
C8 Mo2 C9 35.9(4) . . ?
C15 Mo2 C9 114.1(4) . . ?
C14 Mo2 C9 117.7(4) . . ?
C12 Mo2 C9 59.1(4) . . ?
C18 Mo2 C9 167.7(4) . . ?
C13 Mo2 C16 77.0(3) . . ?
C11 Mo2 C16 94.1(4) . . ?
C17 Mo2 C16 35.1(3) . . ?
C10 Mo2 C16 97.0(3) . . ?
C8 Mo2 C16 152.2(3) . . ?
C15 Mo2 C16 35.5(3) . . ?
C14 Mo2 C16 64.1(3) . . ?
C12 Mo2 C16 122.2(4) . . ?
C18 Mo2 C16 63.5(3) . . ?
C9 Mo2 C16 128.8(4) . . ?
C13 Mo2 P1 47.9(3) . . ?
C11 Mo2 P1 137.2(3) . . ?
C17 Mo2 P1 103.9(2) . . ?
C10 Mo2 P1 135.7(3) . . ?
C8 Mo2 P1 82.6(2) . . ?
C15 Mo2 P1 107.6(2) . . ?
C14 Mo2 P1 72.4(2) . . ?
C12 Mo2 P1 102.4(3) . . ?
C18 Mo2 P1 68.6(2) . . ?
C9 Mo2 P1 100.7(3) . . ?
C16 Mo2 P1 124.6(2) . . ?
S1 Au1 P1 165.48(8) . . ?
S1 Au1 Mo1 141.25(6) . . ?
P1 Au1 Mo1 53.14(6) . . ?
C13 P1 Mo1 140.3(3) . . ?
C13 P1 Mo2 61.3(3) . . ?
Mo1 P1 Mo2 157.89(12) . . ?
C13 P1 Au1 119.4(3) . . ?
Mo1 P1 Au1 71.62(7) . . ?
Mo2 P1 Au1 103.39(9) . . ?
O1 C1 Mo1 177.3(9) . . ?
O2 C2 Mo1 177.0(10) . . ?
C4 C3 C7 108.8(10) . . ?
C4 C3 Mo1 72.5(6) . . ?
C7 C3 Mo1 72.3(6) . . ?
C4 C3 H3 125.6 . . ?
C7 C3 H3 125.6 . . ?
Mo1 C3 H3 121.4 . . ?
C5 C4 C3 108.3(10) . . ?
C5 C4 Mo1 71.8(6) . . ?
C3 C4 Mo1 73.0(6) . . ?
C5 C4 H4 125.9 . . ?
C3 C4 H4 125.9 . . ?
Mo1 C4 H4 121.1 . . ?
C4 C5 C6 108.4(11) . . ?
C4 C5 Mo1 73.5(6) . . ?
C6 C5 Mo1 71.3(7) . . ?
C4 C5 H5 125.8 . . ?
C6 C5 H5 125.8 . . ?
Mo1 C5 H5 121.1 . . ?
C5 C6 C7 107.9(10) . . ?
C5 C6 Mo1 73.3(6) . . ?
C7 C6 Mo1 74.1(6) . . ?
C5 C6 H6 126 . . ?
C7 C6 H6 126 . . ?
Mo1 C6 H6 118.6 . . ?
C3 C7 C6 106.6(10) . . ?
C3 C7 Mo1 72.7(6) . . ?
C6 C7 Mo1 70.3(6) . . ?
C3 C7 H7 126.7 . . ?
C6 C7 H7 126.7 . . ?
Mo1 C7 H7 122.1 . . ?
C12 C8 C9 108.4(9) . . ?
C12 C8 Mo2 73.0(6) . . ?
C9 C8 Mo2 72.9(6) . . ?
C12 C8 H8 125.8 . . ?
C9 C8 H8 125.8 . . ?
Mo2 C8 H8 120.1 . . ?
C10 C9 C8 107.6(10) . . ?
C10 C9 Mo2 71.4(6) . . ?
C8 C9 Mo2 71.2(6) . . ?
C10 C9 H9 126.2 . . ?
C8 C9 H9 126.2 . . ?
Mo2 C9 H9 122.8 . . ?
C9 C10 C11 107.2(9) . . ?
C9 C10 Mo2 73.6(6) . . ?
C11 C10 Mo2 71.5(6) . . ?
C9 C10 H10 126.4 . . ?
C11 C10 H10 126.4 . . ?
Mo2 C10 H10 120.4 . . ?
C12 C11 C10 110.3(9) . . ?
C12 C11 Mo2 74.0(6) . . ?
C10 C11 Mo2 72.9(6) . . ?
C12 C11 H11 124.9 . . ?
C10 C11 H11 124.9 . . ?
Mo2 C11 H11 119.9 . . ?
C11 C12 C8 106.4(9) . . ?
C11 C12 Mo2 70.9(6) . . ?
C8 C12 Mo2 71.8(6) . . ?
C11 C12 H12 126.8 . . ?
C8 C12 H12 126.8 . . ?
Mo2 C12 H12 122.3 . . ?
C14 C13 C18 121.5(8) . . ?
C14 C13 P1 113.8(7) . . ?
C18 C13 P1 104.8(6) . . ?
C14 C13 Mo2 76.8(5) . . ?
C18 C13 Mo2 76.6(5) . . ?
P1 C13 Mo2 70.8(3) . . ?
C15 C14 C13 117.2(8) . . ?
C15 C14 C19 116.8(8) . . ?
C13 C14 C19 125.2(8) . . ?
C15 C14 Mo2 72.1(5) . . ?
C13 C14 Mo2 66.2(5) . . ?
C19 C14 Mo2 141.9(7) . . ?
C14 C15 C16 121.6(8) . . ?
C14 C15 Mo2 72.4(5) . . ?
C16 C15 Mo2 73.4(5) . . ?
C14 C15 H15 119.2 . . ?
C16 C15 H15 119.2 . . ?
Mo2 C15 H15 127.1 . . ?
C17 C16 C15 119.2(8) . . ?
C17 C16 C27 121.1(8) . . ?
C15 C16 C27 119.4(8) . . ?
C17 C16 Mo2 70.2(5) . . ?
C15 C16 Mo2 71.1(5) . . ?
C27 C16 Mo2 136.3(7) . . ?
C16 C17 C18 122.9(8) . . ?
C16 C17 Mo2 74.7(6) . . ?
C18 C17 Mo2 73.9(5) . . ?
C16 C17 H17 118.5 . . ?
C18 C17 H17 118.5 . . ?
Mo2 C17 H17 124.5 . . ?
C17 C18 C13 116.0(8) . . ?
C17 C18 C23 117.7(8) . . ?
C13 C18 C23 125.8(8) . . ?
C17 C18 Mo2 70.7(5) . . ?
C13 C18 Mo2 65.6(5) . . ?
C23 C18 Mo2 141.0(7) . . ?
C22 C19 C21 109.5(8) . . ?
C22 C19 C20 110.2(8) . . ?
C21 C19 C20 106.2(8) . . ?
C22 C19 C14 113.6(8) . . ?
C21 C19 C14 112.3(7) . . ?
C20 C19 C14 104.6(7) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C25 C23 C18 112.4(8) . . ?
C25 C23 C26 109.7(9) . . ?
C18 C23 C26 105.7(8) . . ?
C25 C23 C24 110.3(9) . . ?
C18 C23 C24 111.5(8) . . ?
C26 C23 C24 106.9(9) . . ?
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 . . ?
C30 C27 C29 108.0(9) . . ?
C30 C27 C28 110.0(8) . . ?
C29 C27 C28 108.3(9) . . ?
C30 C27 C16 113.3(8) . . ?
C29 C27 C16 111.7(8) . . ?
C28 C27 C16 105.5(8) . . ?
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 . . ?
C34 S1 C31 94.1(5) . . ?
C34 S1 Au1 107.7(4) . . ?
C31 S1 Au1 101.8(4) . . ?
C32 C31 S1 105.4(7) . . ?
C32 C31 H31A 110.7 . . ?
S1 C31 H31A 110.7 . . ?
C32 C31 H31B 110.7 . . ?
S1 C31 H31B 110.7 . . ?
H31A C31 H31B 108.8 . . ?
C33 C32 C31 104.5(10) . . ?
C33 C32 H32A 110.9 . . ?
C31 C32 H32A 110.9 . . ?
C33 C32 H32B 110.9 . . ?
C31 C32 H32B 110.9 . . ?
H32A C32 H32B 108.9 . . ?
C34 C33 C32 107.2(10) . . ?
C34 C33 H33A 110.3 . . ?
C32 C33 H33A 110.3 . . ?
C34 C33 H33B 110.3 . . ?
C32 C33 H33B 110.3 . . ?
H33A C33 H33B 108.5 . . ?
C33 C34 S1 105.2(8) . . ?
C33 C34 H34A 110.7 . . ?
S1 C34 H34A 110.7 . . ?
C33 C34 H34B 110.7 . . ?
S1 C34 H34B 110.7 . . ?
H34A C34 H34B 108.8 . . ?
Cl1 C35 Cl2 111.8(7) . . ?
Cl1 C35 H35A 109.3 . . ?
Cl2 C35 H35A 109.3 . . ?
Cl1 C35 H35B 109.3 . . ?
Cl2 C35 H35B 109.3 . . ?
H35A C35 H35B 107.9 . . ?
F2 P2 F5 90.4(4) . . ?
F2 P2 F1 179.3(4) . . ?
F5 P2 F1 90.3(4) . . ?
F2 P2 F3 90.4(4) . . ?
F5 P2 F3 90.8(4) . . ?
F1 P2 F3 89.5(4) . . ?
F2 P2 F4 90.1(3) . . ?
F5 P2 F4 89.6(4) . . ?
F1 P2 F4 90.0(4) . . ?
F3 P2 F4 179.4(4) . . ?
F2 P2 F6 90.0(4) . . ?
F5 P2 F6 179.1(4) . . ?
F1 P2 F6 89.3(4) . . ?
F3 P2 F6 90.0(4) . . ?
F4 P2 F6 89.6(4) . . ?
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
Mo1 C1 1.972(12) . ?
Mo1 C2 1.994(11) . ?
Mo1 C6 2.295(11) . ?
Mo1 C5 2.321(11) . ?
Mo1 P1 2.335(2) . ?
Mo1 C4 2.343(11) . ?
Mo1 C7 2.344(10) . ?
Mo1 C3 2.350(10) . ?
Mo1 Au1 2.7690(8) . ?
Mo2 C13 2.181(9) . ?
Mo2 C11 2.284(10) . ?
Mo2 C17 2.288(9) . ?
Mo2 C10 2.303(10) . ?
Mo2 C8 2.308(10) . ?
Mo2 C15 2.315(9) . ?
Mo2 C14 2.320(9) . ?
Mo2 C12 2.324(10) . ?
Mo2 C18 2.329(9) . ?
Mo2 C9 2.330(10) . ?
Mo2 C16 2.345(9) . ?
Mo2 P1 2.348(2) . ?
Au1 S1 2.357(2) . ?
Au1 P1 2.397(2) . ?
P1 C13 1.844(10) . ?
O1 C1 1.147(14) . ?
O2 C2 1.117(13) . ?
C3 C4 1.394(15) . ?
C3 C7 1.414(16) . ?
C3 H3 0.93 . ?
C4 C5 1.391(16) . ?
C4 H4 0.93 . ?
C5 C6 1.407(19) . ?
C5 H5 0.93 . ?
C6 C7 1.420(18) . ?
C6 H6 0.93 . ?
C7 H7 0.93 . ?
C8 C12 1.403(15) . ?
C8 C9 1.428(15) . ?
C8 H8 0.93 . ?
C9 C10 1.392(15) . ?
C9 H9 0.93 . ?
C10 C11 1.403(15) . ?
C10 H10 0.93 . ?
C11 C12 1.392(16) . ?
C11 H11 0.93 . ?
C12 H12 0.93 . ?
C13 C14 1.434(13) . ?
C13 C18 1.468(12) . ?
C14 C15 1.412(12) . ?
C14 C19 1.551(13) . ?
C15 C16 1.422(13) . ?
C15 H15 0.93 . ?
C16 C17 1.399(13) . ?
C16 C27 1.546(13) . ?
C17 C18 1.401(13) . ?
C17 H17 0.93 . ?
C18 C23 1.537(13) . ?
C19 C22 1.527(14) . ?
C19 C21 1.532(12) . ?
C19 C20 1.545(14) . ?
C20 H20A 0.96 . ?
C20 H20B 0.96 . ?
C20 H20C 0.96 . ?
C21 H21A 0.96 . ?
C21 H21B 0.96 . ?
C21 H21C 0.96 . ?
C22 H22A 0.96 . ?
C22 H22B 0.96 . ?
C22 H22C 0.96 . ?
C23 C25 1.509(15) . ?
C23 C26 1.546(15) . ?
C23 C24 1.545(14) . ?
C24 H24A 0.96 . ?
C24 H24B 0.96 . ?
C24 H24C 0.96 . ?
C25 H25A 0.96 . ?
C25 H25B 0.96 . ?
C25 H25C 0.96 . ?
C26 H26A 0.96 . ?
C26 H26B 0.96 . ?
C26 H26C 0.96 . ?
C27 C30 1.526(14) . ?
C27 C29 1.531(13) . ?
C27 C28 1.537(14) . ?
C28 H28A 0.96 . ?
C28 H28B 0.96 . ?
C28 H28C 0.96 . ?
C29 H29A 0.96 . ?
C29 H29B 0.96 . ?
C29 H29C 0.96 . ?
C30 H30A 0.96 . ?
C30 H30B 0.96 . ?
C30 H30C 0.96 . ?
S1 C34 1.826(11) . ?
S1 C31 1.833(11) . ?
C31 C32 1.526(16) . ?
C31 H31A 0.97 . ?
C31 H31B 0.97 . ?
C32 C33 1.517(19) . ?
C32 H32A 0.97 . ?
C32 H32B 0.97 . ?
C33 C34 1.517(16) . ?
C33 H33A 0.97 . ?
C33 H33B 0.97 . ?
C34 H34A 0.97 . ?
C34 H34B 0.97 . ?
C35 Cl1 1.739(12) . ?
C35 Cl2 1.745(14) . ?
C35 H35A 0.97 . ?
C35 H35B 0.97 . ?
P2 F2 1.582(7) . ?
P2 F5 1.589(7) . ?
P2 F1 1.597(7) . ?
P2 F3 1.599(7) . ?
P2 F4 1.599(7) . ?
P2 F6 1.601(7) . ?
