_symmetry_cell_setting                  monoclinic
_symmetry_space_group_name_H-M          'P 21/c'
 
_cell_length_a                          15.3672(4)
_cell_length_b                          11.6754(2)
_cell_length_c                          20.7559(6)
_cell_angle_alpha                       90
_cell_angle_beta                        109.0060(10)
_cell_angle_gamma                       90
_cell_volume                            3520.97(15)
_cell_formula_units_Z                   4
 
_diffrn_ambient_temperature             100(2)
_diffrn_radiation_wavelength            0.71073
_diffrn_radiation_type                  MoK\a
_diffrn_radiation_source                'fine-focus sealed tube' 
_diffrn_radiation_monochromator         'horizontally mounted graphite crystal' 
_diffrn_measurement_device_type         'KappaCCD' 
_diffrn_measurement_device              '90 mm CCD camera on \k-goniostat'
_diffrn_measurement_method              'CCD' 

_refine_ls_number_reflns                6340
_refine_ls_number_parameters            386

_refine_ls_goodness_of_fit_ref          1.19
_refine_ls_restrained_S_all             1.19
 
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 0.32992(4) 0.96331(4) 0.72082(3) 0.01067(15) Uani 1 1 d . . .
Mo2 Mo 0.28260(4) 0.60202(4) 0.78256(3) 0.00888(14) Uani 1 1 d . . .
Au1 Au 0.465761(16) 0.858336(19) 0.833041(13) 0.01056(11) Uani 1 1 d . . .
Cl1 Cl 0.62000(11) 0.85446(13) 0.91496(9) 0.0157(4) Uani 1 1 d . . .
P1 P 0.30673(11) 0.80332(13) 0.77830(8) 0.0097(3) Uani 1 1 d . . .
O1 O 0.4633(4) 0.8526(4) 0.6596(3) 0.0252(13) Uani 1 1 d . . .
O2 O 0.1838(4) 0.8452(4) 0.5899(3) 0.0255(12) Uani 1 1 d . . .
O3 O 0.4953(3) 0.5842(4) 0.8869(2) 0.0167(10) Uani 1 1 d . . .
C1 C 0.4161(5) 0.8929(5) 0.6842(4) 0.0152(14) Uani 1 1 d . . .
C2 C 0.2374(5) 0.8883(6) 0.6385(4) 0.0172(15) Uani 1 1 d . . .
C3 C 0.4181(5) 0.5929(5) 0.8515(4) 0.0128(14) Uani 1 1 d . . .
C4 C 0.3060(6) 1.1437(5) 0.6730(4) 0.0197(16) Uani 1 1 d . . .
H4 H 0.3031 1.1531 0.6279 0.024 Uiso 1 1 calc R . .
C5 C 0.3905(6) 1.1497(5) 0.7323(4) 0.0226(18) Uani 1 1 d . . .
H5 H 0.4494 1.1631 0.7306 0.027 Uiso 1 1 calc R . .
C6 C 0.3687(5) 1.1323(5) 0.7901(4) 0.0165(15) Uani 1 1 d . . .
H6 H 0.4083 1.1315 0.8348 0.02 Uiso 1 1 calc R . .
C7 C 0.2698(5) 1.1152(6) 0.7663(4) 0.0216(16) Uani 1 1 d . . .
H7 H 0.2358 1.1014 0.7953 0.026 Uiso 1 1 calc R . .
C8 C 0.2304(5) 1.1217(6) 0.6948(4) 0.0202(16) Uani 1 1 d . . .
H8 H 0.1689 1.1133 0.6685 0.024 Uiso 1 1 calc R . .
C9 C 0.2963(5) 0.4321(6) 0.7310(4) 0.0226(17) Uani 1 1 d . . .
H9 H 0.3193 0.3671 0.7568 0.027 Uiso 1 1 calc R . .
C10 C 0.3472(5) 0.5159(6) 0.7123(4) 0.0187(15) Uani 1 1 d . . .
H10 H 0.4109 0.5177 0.7231 0.022 Uiso 1 1 calc R . .
C11 C 0.2830(5) 0.5999(6) 0.6729(4) 0.0184(15) Uiso 1 1 d . . .
H11 H 0.2997 0.6652 0.6541 0.022 Uiso 1 1 calc R . .
C12 C 0.1906(5) 0.5700(7) 0.6666(4) 0.0237(17) Uani 1 1 d . . .
H12 H 0.1368 0.6096 0.644 0.028 Uiso 1 1 calc R . .
C13 C 0.2005(6) 0.4649(6) 0.7030(4) 0.0259(18) Uani 1 1 d . . .
H13 H 0.1518 0.4229 0.7081 0.031 Uiso 1 1 calc R . .
C14 C 0.2641(4) 0.7583(5) 0.8409(3) 0.0114(13) Uani 1 1 d . . .
C15 C 0.1746(4) 0.6913(5) 0.8103(3) 0.0104(13) Uani 1 1 d . . .
C16 C 0.1873(5) 0.5804(5) 0.8404(3) 0.0113(13) Uani 1 1 d . . .
C17 C 0.2751(4) 0.5493(5) 0.8922(3) 0.0121(14) Uani 1 1 d . . .
C18 C 0.3241(5) 0.6443(5) 0.9403(4) 0.0138(14) Uiso 1 1 d . . .
C19 C 0.3157(4) 0.7514(5) 0.9161(3) 0.0111(13) Uani 1 1 d . . .
C20 C 0.0761(5) 0.7401(6) 0.7676(4) 0.0170(15) Uani 1 1 d . . .
C21 C 0.0756(5) 0.8258(6) 0.7132(4) 0.0220(16) Uani 1 1 d . . .
H21A H 0.0146 0.8558 0.693 0.033 Uiso 1 1 calc R . .
H21B H 0.0949 0.789 0.6787 0.033 Uiso 1 1 calc R . .
H21C H 0.1172 0.8873 0.7331 0.033 Uiso 1 1 calc R . .
C22 C 0.0040(5) 0.6454(6) 0.7340(4) 0.0230(17) Uani 1 1 d . . .
H22A H -0.0058 0.598 0.7688 0.034 Uiso 1 1 calc R . .
H22B H 0.0264 0.5992 0.7045 0.034 Uiso 1 1 calc R . .
H22C H -0.0531 0.6806 0.7079 0.034 Uiso 1 1 calc R . .
C23 C 0.0442(5) 0.8027(7) 0.8183(4) 0.0263(18) Uani 1 1 d . . .
H23A H 0.0841 0.8667 0.8359 0.039 Uiso 1 1 calc R . .
H23B H 0.0454 0.7521 0.8551 0.039 Uiso 1 1 calc R . .
H23C H -0.0175 0.8297 0.7968 0.039 Uiso 1 1 calc R . .
C24 C 0.2889(4) 0.4269(5) 0.9218(3) 0.0122(13) Uani 1 1 d . . .
C25 C 0.3927(5) 0.3877(6) 0.9447(4) 0.0190(15) Uani 1 1 d . . .
H25A H 0.4308 0.4463 0.9723 0.028 Uiso 1 1 calc R . .
H25B H 0.4107 0.3748 0.9051 0.028 Uiso 1 1 calc R . .
H25C H 0.3998 0.318 0.9705 0.028 Uiso 1 1 calc R . .
C26 C 0.2273(5) 0.3375(6) 0.8709(4) 0.0186(15) Uani 1 1 d . . .
H26A H 0.2409 0.262 0.8898 0.028 Uiso 1 1 calc R . .
H26B H 0.2397 0.341 0.8285 0.028 Uiso 1 1 calc R . .
H26C H 0.1636 0.3546 0.8632 0.028 Uiso 1 1 calc R . .
C27 C 0.2630(6) 0.4263(6) 0.9837(4) 0.0253(18) Uani 1 1 d . . .
H27A H 0.3061 0.4716 1.0183 0.038 Uiso 1 1 calc R . .
H27B H 0.2634 0.3491 0.9997 0.038 Uiso 1 1 calc R . .
H27C H 0.2024 0.458 0.9739 0.038 Uiso 1 1 calc R . .
C28 C 0.3373(5) 0.8565(5) 0.9632(4) 0.0139(15) Uani 1 1 d . . .
C29 C 0.2709(6) 0.8549(6) 1.0008(4) 0.0221(17) Uani 1 1 d . . .
H29A H 0.2803 0.9209 1.0298 0.033 Uiso 1 1 calc R . .
H29B H 0.2798 0.7867 1.028 0.033 Uiso 1 1 calc R . .
H29C H 0.2094 0.8559 0.9691 0.033 Uiso 1 1 calc R . .
C30 C 0.3179(5) 0.9682(5) 0.9219(4) 0.0171(15) Uani 1 1 d . . .
H30A H 0.2555 0.9679 0.8916 0.026 Uiso 1 1 calc R . .
H30B H 0.3591 0.9742 0.8958 0.026 Uiso 1 1 calc R . .
H30C H 0.3269 1.0323 0.9523 0.026 Uiso 1 1 calc R . .
C31 C 0.4404(5) 0.8557(5) 1.0144(4) 0.0204(16) Uani 1 1 d . . .
H31A H 0.4511 0.9235 1.0421 0.031 Uiso 1 1 calc R . .
H31B H 0.4824 0.8539 0.9889 0.031 Uiso 1 1 calc R . .
H31C H 0.4497 0.7893 1.0431 0.031 Uiso 1 1 calc R . .
C32 C 0.8762(7) 0.8964(11) -0.0268(5) 0.051(3) Uani 1 1 d . . .
H32A H 0.8195 0.859 -0.0534 0.061 Uiso 1 1 calc R . .
H32B H 0.8694 0.9781 -0.0353 0.061 Uiso 1 1 calc R . .
Cl2 Cl 0.89813(19) 0.8694(2) 0.05817(13) 0.0475(6) Uani 1 1 d . . .
Cl3 Cl 0.9665(2) 0.8450(3) -0.04951(15) 0.0609(8) Uani 1 1 d . . .
H16 H 0.139(5) 0.530(6) 0.823(4) 0.015(19) Uiso 1 1 d . . .
H18 H 0.365(6) 0.623(7) 0.984(5) 0.03(2) Uiso 1 1 d . . .
 
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_23
    _atom_site_aniso_U_13
    _atom_site_aniso_U_12
Mo1 0.0174(3) 0.0089(3) 0.0092(3) 0.0011(2) 0.0092(2) 0.0001(2)
Mo2 0.0124(3) 0.0086(3) 0.0084(3) -0.0005(2) 0.0072(2) 0.0000(2)
Au1 0.01401(17) 0.01035(16) 0.01010(16) -0.00055(9) 0.00773(12) -0.00050(9)
Cl1 0.0153(9) 0.0187(8) 0.0138(9) -0.0024(6) 0.0055(7) 0.0002(6)
P1 0.0145(9) 0.0091(8) 0.0085(8) 0.0008(6) 0.0080(7) -0.0005(6)
O1 0.035(3) 0.024(3) 0.028(3) 0.000(2) 0.027(3) 0.002(2)
O2 0.036(3) 0.024(3) 0.016(3) -0.005(2) 0.009(3) -0.003(2)
O3 0.020(3) 0.015(2) 0.015(3) 0.001(2) 0.006(2) 0.003(2)
C1 0.022(4) 0.008(3) 0.016(4) 0.006(3) 0.007(3) 0.002(3)
C2 0.025(4) 0.015(3) 0.018(4) 0.002(3) 0.016(3) 0.003(3)
C3 0.023(4) 0.006(3) 0.016(4) 0.000(3) 0.016(3) 0.002(3)
C4 0.038(5) 0.011(3) 0.015(4) 0.005(3) 0.016(4) -0.001(3)
C5 0.037(5) 0.008(3) 0.032(5) 0.001(3) 0.022(4) -0.001(3)
C6 0.031(4) 0.010(3) 0.007(3) 0.001(3) 0.005(3) 0.000(3)
C7 0.034(4) 0.012(3) 0.025(4) 0.004(3) 0.020(4) 0.004(3)
C8 0.020(4) 0.012(3) 0.027(4) -0.001(3) 0.005(3) 0.005(3)
C9 0.046(5) 0.012(3) 0.015(4) -0.003(3) 0.018(4) 0.004(3)
C10 0.025(4) 0.024(4) 0.012(4) -0.008(3) 0.013(3) 0.000(3)
C12 0.025(4) 0.038(4) 0.007(4) -0.010(3) 0.004(3) 0.006(3)
C13 0.038(5) 0.026(4) 0.022(4) -0.013(3) 0.021(4) -0.018(3)
C14 0.017(3) 0.008(3) 0.014(4) -0.001(3) 0.012(3) -0.001(2)
C15 0.009(3) 0.012(3) 0.014(3) 0.001(3) 0.009(3) 0.003(2)
C16 0.014(3) 0.011(3) 0.013(3) -0.003(3) 0.010(3) -0.003(3)
C17 0.016(3) 0.014(3) 0.012(3) 0.003(3) 0.011(3) -0.001(3)
C19 0.012(3) 0.011(3) 0.015(4) -0.003(3) 0.009(3) -0.003(2)
C20 0.017(4) 0.014(3) 0.024(4) 0.003(3) 0.012(3) 0.004(3)
C21 0.014(4) 0.024(4) 0.029(4) 0.012(3) 0.008(3) 0.005(3)
C22 0.013(4) 0.029(4) 0.024(4) 0.010(3) 0.002(3) 0.007(3)
C23 0.021(4) 0.033(4) 0.028(5) -0.002(4) 0.013(4) 0.011(3)
C24 0.018(4) 0.009(3) 0.012(3) 0.004(3) 0.009(3) 0.003(3)
C25 0.024(4) 0.010(3) 0.024(4) 0.004(3) 0.009(3) 0.000(3)
C26 0.026(4) 0.011(3) 0.018(4) 0.002(3) 0.004(3) -0.004(3)
C27 0.048(5) 0.016(4) 0.023(4) 0.003(3) 0.028(4) -0.001(3)
C28 0.022(4) 0.015(3) 0.010(4) -0.001(3) 0.013(3) 0.001(3)
C29 0.037(5) 0.015(4) 0.024(4) 0.000(3) 0.023(4) -0.001(3)
C30 0.028(4) 0.013(3) 0.015(4) 0.001(3) 0.013(3) 0.002(3)
C31 0.028(4) 0.009(3) 0.024(4) -0.003(3) 0.009(4) -0.001(3)
C32 0.037(6) 0.095(8) 0.023(5) 0.008(5) 0.015(4) 0.010(5)
Cl2 0.0536(15) 0.0664(16) 0.0311(13) 0.0140(11) 0.0256(12) 0.0057(11)
Cl3 0.0604(17) 0.089(2) 0.0459(16) 0.0053(14) 0.0341(14) 0.0273(14)