#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/43/4314308.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_4314308
loop_
_publ_author_name
'Richard D. Adams'
'O-Sung Kwon'
_publ_section_title
;
 Syntheses and Reactivity of the Diselenido Molybdenum-Manganese Complex
 CpMoMn(CO)5(μ-Se2)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6175
_journal_page_last               6182
_journal_paper_doi               10.1021/ic030077z
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C46.25 H35 Cl0.5 Mn Mo O5 P2 Pt Se2'
_chemical_formula_weight         1254.30
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.0470(10)
_cell_angle_beta                 96.285(2)
_cell_angle_gamma                97.390(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2811(7)
_cell_length_b                   11.4291(8)
_cell_length_c                   19.7990(14)
_cell_measurement_reflns_used    4395
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.77
_cell_measurement_theta_min      2.38
_cell_volume                     2214.1(3)
_computing_cell_refinement       'SAINT+ NT V6.02a (Bruker, 1998)'
_computing_data_collection       'SMART NT V5.619 (Bruker, 2000)'
_computing_data_reduction        'SAINT+ NT V6.02a'
_computing_molecular_graphics    'SHELXTL V5.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_av_sigmaI/netI    0.0737
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23527
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         1.07
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    5.503
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.830390
_exptl_absorpt_correction_type   SADABS
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.881
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.624
_refine_diff_density_min         -0.733
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         10947
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0650
_refine_ls_R_factor_gt           0.0418
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0383P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
_refine_ls_wR_factor_ref         0.1002
_reflns_number_gt                8340
_reflns_number_total             10947
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic030077z_5.cif
_cod_data_source_block           p-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C46.25 H35 Cl0.50 Mn Mo O5 P2 Pt Se2'
_cod_database_code               4314308
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.24816(2) 0.747111(19) 0.240050(11) 0.02857(7) Uani 1 1 d . . .
Mo Mo 0.29782(5) 0.94860(5) 0.12304(3) 0.03695(13) Uani 1 1 d . . .
Se1 Se 0.33153(6) 0.96617(5) 0.25872(3) 0.03355(13) Uani 1 1 d . . .
Se2 Se 0.37535(7) 0.74806(5) 0.14261(3) 0.04313(16) Uani 1 1 d . . .
Mn Mn 0.53274(9) 0.93447(9) 0.20486(5) 0.0414(2) Uani 1 1 d . . .
P1 P 0.17844(15) 0.54059(13) 0.20085(8) 0.0342(3) Uani 1 1 d . . .
P2 P 0.17233(15) 0.78861(14) 0.34714(8) 0.0334(3) Uani 1 1 d . . .
O21 O 0.6745(5) 1.1765(5) 0.2852(3) 0.0675(14) Uani 1 1 d . . .
O11 O 0.4784(5) 1.1998(4) 0.1556(3) 0.0675(15) Uani 1 1 d . . .
C53 C 0.2579(6) 0.4558(5) 0.2553(3) 0.0418(14) Uani 1 1 d . . .
C65 C 0.3094(6) 0.8141(5) 0.4188(3) 0.0398(14) Uani 1 1 d . . .
C52 C -0.0832(6) 0.5732(6) 0.2040(3) 0.0490(16) Uani 1 1 d . . .
H52 H -0.0482 0.6554 0.2227 0.059 Uiso 1 1 calc R . .
C71 C 0.0959(5) 0.9264(5) 0.3616(3) 0.0356(13) Uani 1 1 d . . .
C47 C 0.0006(6) 0.4896(6) 0.1874(3) 0.0407(14) Uani 1 1 d . . .
C41 C 0.2207(6) 0.4732(5) 0.1139(3) 0.0424(14) Uani 1 1 d . . .
C59 C 0.0516(6) 0.6805(5) 0.3716(3) 0.0401(14) Uani 1 1 d . . .
C60 C 0.0919(7) 0.5774(6) 0.3872(3) 0.0531(17) Uani 1 1 d . . .
H60 H 0.1799 0.5663 0.3869 0.064 Uiso 1 1 calc R . .
C21 C 0.6177(6) 1.0817(6) 0.2535(4) 0.0470(16) Uani 1 1 d . . .
C11 C 0.4209(6) 1.1032(6) 0.1487(3) 0.0460(15) Uani 1 1 d . . .
C66 C 0.4378(6) 0.8214(6) 0.4053(3) 0.0472(16) Uani 1 1 d . . .
H66 H 0.4546 0.8136 0.3594 0.057 Uiso 1 1 calc R . .
C48 C -0.0544(7) 0.3668(6) 0.1580(4) 0.0575(18) Uani 1 1 d . . .
H48 H 0.0004 0.3094 0.1440 0.069 Uiso 1 1 calc R . .
C54 C 0.1971(8) 0.3531(6) 0.2731(4) 0.0531(17) Uani 1 1 d . . .
H54 H 0.1065 0.3274 0.2593 0.064 Uiso 1 1 calc R . .
O22 O 0.6696(6) 0.8107(6) 0.2972(4) 0.095(2) Uani 1 1 d . . .
C75 C -0.0542(7) 1.0413(6) 0.3138(4) 0.0555(18) Uani 1 1 d . . .
H75 H -0.1130 1.0482 0.2763 0.067 Uiso 1 1 calc R . .
C76 C 0.0111(6) 0.9411(6) 0.3069(3) 0.0470(16) Uani 1 1 d . . .
H76 H -0.0029 0.8823 0.2640 0.056 Uiso 1 1 calc R . .
O20 O 0.7419(6) 0.9156(7) 0.1150(4) 0.104(2) Uani 1 1 d . . .
C64 C -0.0805(6) 0.6958(7) 0.3727(4) 0.0547(18) Uani 1 1 d . . .
H64 H -0.1085 0.7648 0.3627 0.066 Uiso 1 1 calc R . .
C72 C 0.1168(7) 1.0176(6) 0.4242(4) 0.0558(18) Uani 1 1 d . . .
H72 H 0.1755 1.0112 0.4619 0.067 Uiso 1 1 calc R . .
C20 C 0.6565(7) 0.9198(7) 0.1490(4) 0.064(2) Uani 1 1 d . . .
C70 C 0.2858(7) 0.8257(7) 0.4876(4) 0.0601(19) Uani 1 1 d . . .
H70 H 0.1992 0.8184 0.4974 0.072 Uiso 1 1 calc R . .
C22 C 0.6162(7) 0.8600(7) 0.2618(4) 0.061(2) Uani 1 1 d . . .
C42 C 0.1593(7) 0.5054(7) 0.0566(4) 0.0590(19) Uani 1 1 d . . .
H42 H 0.0947 0.5554 0.0626 0.071 Uiso 1 1 calc R . .
C10 C 0.4101(8) 0.9011(7) 0.0477(4) 0.0561(18) Uani 1 1 d . . .
C68 C 0.5180(8) 0.8533(7) 0.5274(4) 0.069(2) Uani 1 1 d . . .
H68 H 0.5876 0.8656 0.5639 0.083 Uiso 1 1 calc R . .
C69 C 0.3901(9) 0.8482(8) 0.5415(4) 0.073(2) Uani 1 1 d . . .
H69 H 0.3736 0.8599 0.5878 0.087 Uiso 1 1 calc R . .
C51 C -0.2204(7) 0.5364(8) 0.1932(4) 0.068(2) Uani 1 1 d . . .
H51 H -0.2762 0.5942 0.2037 0.082 Uiso 1 1 calc R . .
C67 C 0.5436(7) 0.8404(7) 0.4592(4) 0.065(2) Uani 1 1 d . . .
H67 H 0.6303 0.8442 0.4493 0.078 Uiso 1 1 calc R . .
O10 O 0.4662(7) 0.8713(6) 0.0031(3) 0.091(2) Uani 1 1 d . . .
C74 C -0.0319(8) 1.1291(7) 0.3757(5) 0.066(2) Uani 1 1 d . . .
H74 H -0.0738 1.1975 0.3803 0.079 Uiso 1 1 calc R . .
C58 C 0.3916(7) 0.4920(7) 0.2771(4) 0.063(2) Uani 1 1 d . . .
H58 H 0.4345 0.5617 0.2676 0.076 Uiso 1 1 calc R . .
C43 C 0.1942(8) 0.4630(9) -0.0092(4) 0.080(3) Uani 1 1 d . . .
H43 H 0.1508 0.4830 -0.0476 0.096 Uiso 1 1 calc R . .
C55 C 0.2673(9) 0.2895(7) 0.3102(4) 0.069(2) Uani 1 1 d . . .
H55 H 0.2242 0.2228 0.3225 0.083 Uiso 1 1 calc R . .
C46 C 0.3162(9) 0.4025(8) 0.1037(4) 0.075(3) Uani 1 1 d . . .
H46 H 0.3587 0.3810 0.1417 0.090 Uiso 1 1 calc R . .
C73 C 0.0528(8) 1.1171(7) 0.4317(4) 0.070(2) Uani 1 1 d . . .
H73 H 0.0666 1.1764 0.4744 0.084 Uiso 1 1 calc R . .
C63 C -0.1706(8) 0.6085(9) 0.3884(5) 0.079(3) Uani 1 1 d . . .
H63 H -0.2590 0.6186 0.3886 0.094 Uiso 1 1 calc R . .
C3 C 0.1389(8) 1.0660(9) 0.1008(6) 0.080(3) Uani 1 1 d . . .
H3 H 0.1581 1.1508 0.1163 0.096 Uiso 1 1 calc R . .
C4 C 0.0817(7) 0.9889(10) 0.1359(5) 0.076(3) Uani 1 1 d . . .
H4 H 0.0542 1.0136 0.1797 0.091 Uiso 1 1 calc R . .
C50 C -0.2725(8) 0.4162(9) 0.1672(4) 0.078(3) Uani 1 1 d . . .
H50 H -0.3637 0.3917 0.1613 0.093 Uiso 1 1 calc R . .
C49 C -0.1905(8) 0.3304(8) 0.1496(5) 0.076(2) Uani 1 1 d . . .
H49 H -0.2265 0.2481 0.1321 0.091 Uiso 1 1 calc R . .
C61 C 0.0024(9) 0.4920(7) 0.4031(4) 0.074(2) Uani 1 1 d . . .
H61 H 0.0305 0.4233 0.4135 0.088 Uiso 1 1 calc R . .
C2 C 0.1633(9) 0.9935(13) 0.0372(5) 0.095(4) Uani 1 1 d . . .
H2 H 0.2006 1.0211 0.0020 0.114 Uiso 1 1 calc R . .
C5 C 0.0708(7) 0.8723(9) 0.0983(6) 0.077(3) Uani 1 1 d . . .
H5 H 0.0355 0.8038 0.1117 0.092 Uiso 1 1 calc R . .
C56 C 0.4018(10) 0.3247(8) 0.3292(5) 0.092(3) Uani 1 1 d . . .
H56 H 0.4506 0.2798 0.3528 0.110 Uiso 1 1 calc R . .
C62 C -0.1283(10) 0.5065(8) 0.4040(5) 0.085(3) Uani 1 1 d . . .
H62 H -0.1880 0.4480 0.4149 0.102 Uiso 1 1 calc R . .
C57 C 0.4635(9) 0.4255(9) 0.3136(6) 0.095(3) Uani 1 1 d . . .
H57 H 0.5544 0.4501 0.3273 0.113 Uiso 1 1 calc R . .
C44 C 0.2906(11) 0.3926(8) -0.0189(4) 0.088(3) Uani 1 1 d . . .
H44 H 0.3146 0.3658 -0.0634 0.105 Uiso 1 1 calc R . .
C45 C 0.3521(11) 0.3614(9) 0.0374(5) 0.099(4) Uani 1 1 d . . .
H45 H 0.4180 0.3127 0.0314 0.118 Uiso 1 1 calc R . .
C1 C 0.1212(9) 0.8717(10) 0.0362(5) 0.090(3) Uani 1 1 d . . .
H1 H 0.1262 0.8031 0.0005 0.109 Uiso 1 1 calc R . .
Cl3 Cl 0.6314(11) 0.5142(16) 0.5036(5) 0.279(8) Uani 0.50 1 d P . .
C111 C 0.497(7) 0.545(4) 0.482(3) 0.13(2) Uani 0.25 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Pt P2 100.89(5) . . ?
P1 Pt Se2 92.16(4) . . ?
P2 Pt Se2 164.76(4) . . ?
P1 Pt Se1 168.90(4) . . ?
P2 Pt Se1 89.97(4) . . ?
Se2 Pt Se1 77.43(2) . . ?
C11 Mo C10 83.9(3) . . ?
C11 Mo C2 96.4(4) . . ?
C10 Mo C2 84.4(3) . . ?
C11 Mo C1 132.0(4) . . ?
C10 Mo C1 85.9(4) . . ?
C2 Mo C1 35.8(3) . . ?
C11 Mo C3 84.8(3) . . ?
C10 Mo C3 116.3(4) . . ?
C2 Mo C3 35.5(3) . . ?
C1 Mo C3 58.7(4) . . ?
C11 Mo C5 141.0(3) . . ?
C10 Mo C5 118.4(4) . . ?
C2 Mo C5 58.1(3) . . ?
C1 Mo C5 34.9(3) . . ?
C3 Mo C5 57.0(3) . . ?
C11 Mo C4 109.2(3) . . ?
C10 Mo C4 140.1(3) . . ?
C2 Mo C4 57.3(3) . . ?
C1 Mo C4 57.0(3) . . ?
C3 Mo C4 33.9(3) . . ?
C5 Mo C4 33.3(3) . . ?
C11 Mo Se2 120.89(18) . . ?
C10 Mo Se2 75.82(19) . . ?
C2 Mo Se2 134.6(4) . . ?
C1 Mo Se2 101.5(3) . . ?
C3 Mo Se2 153.5(2) . . ?
C5 Mo Se2 96.6(2) . . ?
C4 Mo Se2 121.9(3) . . ?
C11 Mo Se1 84.65(18) . . ?
C10 Mo Se1 133.0(2) . . ?
C2 Mo Se1 142.2(3) . . ?
C1 Mo Se1 133.0(3) . . ?
C3 Mo Se1 107.8(3) . . ?
C5 Mo Se1 98.5(3) . . ?
C4 Mo Se1 86.5(2) . . ?
Se2 Mo Se1 71.67(2) . . ?
C11 Mo Mn 68.19(18) . . ?
C10 Mo Mn 79.8(2) . . ?
C2 Mo Mn 158.9(2) . . ?
C1 Mo Mn 153.9(3) . . ?
C3 Mo Mn 147.4(3) . . ?
C5 Mo Mn 142.5(2) . . ?
C4 Mo Mn 140.1(2) . . ?
Se2 Mo Mn 53.94(3) . . ?
Se1 Mo Mn 53.70(2) . . ?
Mn Se1 Pt 95.14(3) . . ?
Mn Se1 Mo 66.84(3) . . ?
Pt Se1 Mo 92.28(2) . . ?
Pt Se2 Mn 95.33(3) . . ?
Pt Se2 Mo 92.74(2) . . ?
Mn Se2 Mo 66.78(3) . . ?
C20 Mn C22 91.6(4) . . ?
C20 Mn C21 90.5(3) . . ?
C22 Mn C21 92.7(3) . . ?
C20 Mn Se1 166.5(3) . . ?
C22 Mn Se1 101.5(2) . . ?
C21 Mn Se1 92.2(2) . . ?
C20 Mn Se2 98.8(2) . . ?
C22 Mn Se2 93.4(3) . . ?
C21 Mn Se2 168.7(2) . . ?
Se1 Mn Se2 77.23(3) . . ?
C20 Mn Mo 107.3(3) . . ?
C22 Mn Mo 148.3(2) . . ?
C21 Mn Mo 111.9(2) . . ?
Se1 Mn Mo 59.46(3) . . ?
Se2 Mn Mo 59.27(3) . . ?
C53 P1 C47 108.7(3) . . ?
C53 P1 C41 102.5(3) . . ?
C47 P1 C41 101.5(3) . . ?
C53 P1 Pt 112.9(2) . . ?
C47 P1 Pt 116.4(2) . . ?
C41 P1 Pt 113.5(2) . . ?
C71 P2 C59 102.6(3) . . ?
C71 P2 C65 107.1(3) . . ?
C59 P2 C65 101.1(3) . . ?
C71 P2 Pt 111.47(19) . . ?
C59 P2 Pt 122.7(2) . . ?
C65 P2 Pt 110.5(2) . . ?
C58 C53 C54 117.5(6) . . ?
C58 C53 P1 116.5(5) . . ?
C54 C53 P1 125.9(5) . . ?
C66 C65 C70 118.8(6) . . ?
C66 C65 P2 120.4(5) . . ?
C70 C65 P2 120.8(5) . . ?
C47 C52 C51 120.9(7) . . ?
C76 C71 C72 117.4(6) . . ?
C76 C71 P2 117.8(5) . . ?
C72 C71 P2 124.8(5) . . ?
C52 C47 C48 118.6(6) . . ?
C52 C47 P1 119.8(5) . . ?
C48 C47 P1 121.5(5) . . ?
C46 C41 C42 118.6(6) . . ?
C46 C41 P1 123.3(5) . . ?
C42 C41 P1 117.9(5) . . ?
C60 C59 C64 119.0(6) . . ?
C60 C59 P2 118.8(5) . . ?
C64 C59 P2 122.2(5) . . ?
C61 C60 C59 120.3(7) . . ?
O21 C21 Mn 179.0(6) . . ?
O11 C11 Mo 168.2(5) . . ?
C65 C66 C67 121.3(7) . . ?
C49 C48 C47 120.1(7) . . ?
C55 C54 C53 121.8(7) . . ?
C74 C75 C76 119.6(7) . . ?
C71 C76 C75 121.8(6) . . ?
C63 C64 C59 120.4(7) . . ?
C73 C72 C71 121.3(7) . . ?
O20 C20 Mn 176.3(7) . . ?
C69 C70 C65 120.4(7) . . ?
O22 C22 Mn 178.8(8) . . ?
C43 C42 C41 119.9(7) . . ?
O10 C10 Mo 176.0(8) . . ?
C69 C68 C67 120.1(7) . . ?
C68 C69 C70 120.4(7) . . ?
C50 C51 C52 120.0(8) . . ?
C68 C67 C66 119.0(7) . . ?
C75 C74 C73 120.1(7) . . ?
C53 C58 C57 120.6(7) . . ?
C44 C43 C42 121.1(8) . . ?
C54 C55 C56 119.6(8) . . ?
C41 C46 C45 121.2(8) . . ?
C72 C73 C74 119.8(7) . . ?
C62 C63 C64 119.7(8) . . ?
C4 C3 C2 107.0(9) . . ?
C4 C3 Mo 74.7(4) . . ?
C2 C3 Mo 70.6(5) . . ?
C5 C4 C3 110.2(9) . . ?
C5 C4 Mo 72.7(5) . . ?
C3 C4 Mo 71.4(4) . . ?
C51 C50 C49 120.3(7) . . ?
C50 C49 C48 120.0(7) . . ?
C60 C61 C62 120.9(8) . . ?
C3 C2 C1 107.2(8) . . ?
C3 C2 Mo 73.9(5) . . ?
C1 C2 Mo 72.4(5) . . ?
C4 C5 C1 108.3(8) . . ?
C4 C5 Mo 74.1(5) . . ?
C1 C5 Mo 70.3(5) . . ?
C57 C56 C55 119.9(8) . . ?
C61 C62 C63 119.8(7) . . ?
C56 C57 C58 120.4(8) . . ?
C43 C44 C45 119.2(8) . . ?
C44 C45 C46 120.0(8) . . ?
C5 C1 C2 107.1(9) . . ?
C5 C1 Mo 74.9(5) . . ?
C2 C1 Mo 71.8(5) . . ?
C111 Cl3 C111 56(3) 2_666 . ?
C111 C111 Cl3 63(4) 2_666 2_666 ?
C111 C111 Cl3 62(5) 2_666 . ?
Cl3 C111 Cl3 124(3) 2_666 . ?
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
Pt P1 2.2893(15) . ?
Pt P2 2.3016(15) . ?
Pt Se2 2.4477(6) . ?
Pt Se1 2.4635(6) . ?
Mo C11 1.956(7) . ?
Mo C10 2.000(7) . ?
Mo C2 2.271(7) . ?
Mo C1 2.280(8) . ?
Mo C3 2.314(7) . ?
Mo C5 2.338(8) . ?
Mo C4 2.355(7) . ?
Mo Se2 2.6215(8) . ?
Mo Se1 2.6255(8) . ?
Mo Mn 2.8026(10) . ?
Se1 Mn 2.4568(11) . ?
Se2 Mn 2.4655(12) . ?
Mn C20 1.772(8) . ?
Mn C22 1.781(8) . ?
Mn C21 1.782(7) . ?
P1 C53 1.813(6) . ?
P1 C47 1.816(6) . ?
P1 C41 1.832(6) . ?
P2 C71 1.825(6) . ?
P2 C59 1.825(6) . ?
P2 C65 1.828(6) . ?
O21 C21 1.155(8) . ?
O11 C11 1.153(7) . ?
C53 C58 1.372(9) . ?
C53 C54 1.397(8) . ?
C65 C66 1.371(8) . ?
C65 C70 1.387(9) . ?
C52 C47 1.373(9) . ?
C52 C51 1.396(9) . ?
C71 C76 1.372(8) . ?
C71 C72 1.388(8) . ?
C47 C48 1.398(8) . ?
C41 C46 1.350(9) . ?
C41 C42 1.388(9) . ?
C59 C60 1.389(8) . ?
C59 C64 1.393(9) . ?
C60 C61 1.371(9) . ?
C66 C67 1.394(9) . ?
C48 C49 1.388(10) . ?
C54 C55 1.366(9) . ?
O22 C22 1.140(8) . ?
C75 C74 1.357(10) . ?
C75 C76 1.386(8) . ?
O20 C20 1.163(8) . ?
C64 C63 1.388(10) . ?
C72 C73 1.371(10) . ?
C70 C69 1.379(10) . ?
C42 C43 1.379(10) . ?
C10 O10 1.116(8) . ?
C68 C69 1.370(11) . ?
C68 C67 1.382(11) . ?
C51 C50 1.358(11) . ?
C74 C73 1.378(11) . ?
C58 C57 1.393(10) . ?
C43 C44 1.356(11) . ?
C55 C56 1.373(12) . ?
C46 C45 1.390(11) . ?
C63 C62 1.386(12) . ?
C3 C4 1.364(12) . ?
C3 C2 1.398(13) . ?
C4 C5 1.343(12) . ?
C50 C49 1.381(11) . ?
C61 C62 1.377(12) . ?
C2 C1 1.399(13) . ?
C5 C1 1.385(13) . ?
C56 C57 1.361(11) . ?
C44 C45 1.366(12) . ?
Cl3 C111 1.50(6) 2_666 ?
Cl3 C111 1.51(7) . ?
C111 C111 1.40(7) 2_666 ?
C111 Cl3 1.50(6) 2_666 ?
