#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:36:18 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179798 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/94/7009493.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_7009493
loop_
_publ_author_name
'Davies, John E.'
'Mays, Martin J.'
'Raithby, Paul R.'
'Shields, Gregory P.'
'Tompkin, Peter K.'
'Woods, Anthony D.'
_publ_section_title
;
 The preparation of [M2Cp2(CO)4(μ-η2-PE)] (E = As or
 Sb), the first complexes with naked heterodiatomic Group 15 ligands,
 and of their adducts with W(CO)5
;
_journal_issue                   12
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1925
_journal_paper_doi               10.1039/b001409p
_journal_year                    2000
_chemical_formula_sum            'C19 H10 Mo2 O9 P Sb W'
_chemical_formula_weight         910.72
_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
_cell_angle_alpha                97.85(3)
_cell_angle_beta                 96.34(2)
_cell_angle_gamma                118.86(2)
_cell_formula_units_Z            4
_cell_length_a                   15.974(5)
_cell_length_b                   16.236(8)
_cell_length_c                   10.623(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    150(2)
_cell_volume                     2340.4(16)
_computing_cell_refinement       'Rigaku software'
_computing_data_collection       'Rigaku software'
_computing_data_reduction        TeXsan
_computing_molecular_graphics    SHELXTL-PLUS
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SIR 92'
_diffrn_ambient_temperature      150(2)
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'ω/2θ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0380
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8554
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.53
_diffrn_standards_decay_%        -1.5
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.203
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.666
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            'v dark'
_exptl_crystal_density_diffrn    2.585
_exptl_crystal_F_000             1680
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.907
_refine_diff_density_min         -2.340
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.092
_refine_ls_goodness_of_fit_obs   1.111
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         8232
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_restrained_S_obs      1.111
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_obs          0.0350
_refine_ls_shift/esd_max         0.204
_refine_ls_shift/esd_mean        0.013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0465P)²+11.5801P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0922
_refine_ls_wR_factor_obs         0.0896
_reflns_number_observed          7556
_reflns_number_total             8232
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b001409p.txt
_cod_data_source_block           13
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'psiscan' changed to 'psi-scan'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0465P)^2^+11.5801P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0465P)^2^+11.5801P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2340.4(14)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7009493
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
W1 W 0.56639(2) 0.35187(2) 0.62594(3) 0.01587(8) Uani 1 d . .
Sb1 Sb 0.29970(4) 0.10877(3) 0.70657(5) 0.02017(12) Uani 1 d . .
Mo1 Mo 0.23195(4) 0.22430(4) 0.60373(6) 0.01630(14) Uani 1 d . .
Mo2 Mo 0.32715(4) 0.26333(4) 0.88783(6) 0.01481(13) Uani 1 d . .
P1 P 0.40156(13) 0.27228(13) 0.6889(2) 0.0153(4) Uani 1 d . .
C1 C 0.1174(5) 0.1056(6) 0.6351(7) 0.024(2) Uani 1 d . .
O1 O 0.0471(4) 0.0430(4) 0.6492(6) 0.0333(14) Uani 1 d . .
O2 O 0.2313(5) 0.1035(5) 0.3498(6) 0.045(2) Uani 1 d . .
C2 C 0.2328(6) 0.1438(6) 0.4470(8) 0.027(2) Uani 1 d . .
O3 O 0.4397(4) 0.4801(4) 0.8695(6) 0.0336(14) Uani 1 d . .
C3 C 0.4006(5) 0.4008(6) 0.8752(7) 0.022(2) Uani 1 d . .
C4 C 0.4522(6) 0.2766(6) 0.9696(8) 0.026(2) Uani 1 d . .
O4 O 0.5222(4) 0.2847(5) 1.0263(6) 0.039(2) Uani 1 d . .
C5 C 0.4928(5) 0.2999(6) 0.4367(8) 0.023(2) Uani 1 d . .
O5 O 0.4544(5) 0.2728(5) 0.3308(6) 0.0366(14) Uani 1 d . .
C6 C 0.5592(5) 0.4726(5) 0.6322(7) 0.0174(15) Uani 1 d . .
O6 O 0.5564(4) 0.5426(4) 0.6372(5) 0.0291(13) Uani 1 d . .
O7 O 0.7681(4) 0.4524(4) 0.5385(6) 0.0352(14) Uani 1 d . .
C7 C 0.6932(6) 0.4134(6) 0.5719(8) 0.027(2) Uani 1 d . .
C8 C 0.6456(6) 0.4062(6) 0.8132(8) 0.028(2) Uani 1 d . .
O8 O 0.6922(5) 0.4378(5) 0.9124(6) 0.047(2) Uani 1 d . .
C9 C 0.5652(6) 0.2241(6) 0.6213(8) 0.024(2) Uani 1 d . .
O9 O 0.5625(5) 0.1527(4) 0.6186(7) 0.0380(15) Uani 1 d . .
C10 C 0.1310(6) 0.2896(7) 0.6021(9) 0.032(2) Uani 1 d . .
H10 H 0.0698(6) 0.2644(7) 0.6372(9) 0.038 Uiso 1 calc R .
C11 C 0.1363(6) 0.2601(6) 0.4718(8) 0.032(2) Uani 1 d . .
H11 H 0.0801(6) 0.2140(6) 0.3994(8) 0.039 Uiso 1 calc R .
C12 C 0.2348(6) 0.3194(6) 0.4610(8) 0.031(2) Uani 1 d . .
H12 H 0.2603(6) 0.3209(6) 0.3790(8) 0.037 Uiso 1 calc R .
C13 C 0.2872(6) 0.3832(6) 0.5810(8) 0.027(2) Uani 1 d . .
H13 H 0.3569(6) 0.4364(6) 0.5999(8) 0.032 Uiso 1 calc R .
C14 C 0.2212(6) 0.3646(6) 0.6684(8) 0.027(2) Uani 1 d . .
H14A H 0.2368(6) 0.4015(6) 0.7594(8) 0.033 Uiso 1 calc R .
C15 C 0.1693(5) 0.2205(6) 0.9277(7) 0.023(2) Uani 1 d . .
H15 H 0.1122(5) 0.2087(6) 0.8629(7) 0.027 Uiso 1 calc R .
C16 C 0.2396(6) 0.3093(6) 1.0098(7) 0.027(2) Uani 1 d . .
H16 H 0.2393(6) 0.3712(6) 1.0155(7) 0.033 Uiso 1 calc R .
C17 C 0.3048(6) 0.2945(7) 1.0925(7) 0.032(2) Uani 1 d . .
H17 H 0.3563(6) 0.3429(7) 1.1683(7) 0.038 Uiso 1 calc R .
C18 C 0.2738(6) 0.1952(6) 1.0607(8) 0.029(2) Uani 1 d . .
H18 H 0.3013(6) 0.1619(6) 1.1087(8) 0.035 Uiso 1 calc R .
C19 C 0.1908(5) 0.1495(6) 0.9589(7) 0.022(2) Uani 1 d . .
H19 H 0.1512(5) 0.0788(6) 0.9201(7) 0.027 Uiso 1 calc R .
W1' W 0.86087(2) 0.16449(2) -0.18905(3) 0.01473(8) Uani 1 d . .
Sb1' Sb 0.87271(3) 0.13674(3) 0.22752(4) 0.01563(11) Uani 1 d . .
Mo1' Mo 0.91887(4) 0.33067(4) 0.22820(6) 0.01484(13) Uani 1 d . .
Mo2' Mo 0.71126(4) 0.15759(5) 0.17497(6) 0.01610(14) Uani 1 d . .
P1' P 0.84166(13) 0.19558(13) 0.0418(2) 0.0154(4) Uani 1 d . .
O1' O 0.9453(4) 0.3166(4) 0.5196(5) 0.0266(12) Uani 1 d . .
C1' C 0.9342(5) 0.3167(5) 0.4117(7) 0.019(2) Uani 1 d . .
O2' O 1.1205(4) 0.3472(5) 0.2111(6) 0.0342(14) Uani 1 d . .
C2' C 1.0459(6) 0.3376(6) 0.2183(7) 0.024(2) Uani 1 d . .
C3' C 0.6754(6) 0.1983(6) 0.0183(8) 0.026(2) Uani 1 d . .
O3' O 0.6507(5) 0.2178(5) -0.0727(6) 0.041(2) Uani 1 d . .
O4' O 0.6239(5) -0.0480(4) 0.0023(6) 0.039(2) Uani 1 d . .
C4' C 0.6579(5) 0.0282(6) 0.0634(7) 0.021(2) Uani 1 d . .
O5' O 1.0675(4) 0.3558(4) -0.1073(6) 0.0316(13) Uani 1 d . .
C5' C 0.9946(6) 0.2841(5) -0.1360(7) 0.021(2) Uani 1 d . .
C6' C 0.8145(5) 0.2528(6) -0.2455(7) 0.022(2) Uani 1 d . .
O6' O 0.7919(4) 0.3041(5) -0.2791(6) 0.0344(14) Uani 1 d . .
C7' C 0.8815(5) 0.1312(5) -0.3651(7) 0.020(2) Uani 1 d . .
O7' O 0.8910(4) 0.1058(4) -0.4666(5) 0.0306(13) Uani 1 d . .
C8' C 0.7196(6) 0.0516(6) -0.2480(8) 0.029(2) Uani 1 d . .
O8' O 0.6418(5) -0.0077(6) -0.2854(7) 0.057(2) Uani 1 d . .
C20' C 0.9101(5) 0.0778(6) -0.1300(7) 0.023(2) Uani 1 d . .
O20' O 0.9378(4) 0.0289(4) -0.0988(6) 0.0316(13) Uani 1 d . .
C10' C 0.9079(6) 0.4652(6) 0.3081(8) 0.029(2) Uani 1 d . .
H10' H 0.8949(6) 0.4809(6) 0.3956(8) 0.035 Uiso 1 calc R .
C11' C 1.0017(6) 0.4958(5) 0.2780(8) 0.028(2) Uani 1 d . .
H11' H 1.0657(6) 0.5383(5) 0.3399(8) 0.033 Uiso 1 calc R .
C12' C 0.9888(6) 0.4653(6) 0.1432(8) 0.028(2) Uani 1 d . .
H12' H 1.0420(6) 0.4826(6) 0.0926(8) 0.034 Uiso 1 calc R .
C13' C 0.8868(7) 0.4178(6) 0.0900(8) 0.031(2) Uani 1 d . .
H13' H 0.8561(7) 0.3930(6) -0.0045(8) 0.037 Uiso 1 calc R .
C14' C 0.8371(7) 0.4173(6) 0.1921(8) 0.030(2) Uani 1 d . .
H14' H 0.7654(7) 0.3918(6) 0.1829(8) 0.036 Uiso 1 calc R .
C15' C 0.7078(6) 0.2350(7) 0.3787(8) 0.031(2) Uani 1 d . .
H15' H 0.7621(6) 0.2975(7) 0.4337(8) 0.037 Uiso 1 calc R .
C16' C 0.6324(6) 0.2239(7) 0.2849(9) 0.035(2) Uani 1 d . .
H16' H 0.6229(6) 0.2773(7) 0.2634(9) 0.042 Uiso 1 calc R .
C17' C 0.5675(6) 0.1263(8) 0.2362(8) 0.037(2) Uani 1 d . .
H17' H 0.5028(6) 0.0978(8) 0.1763(8) 0.045 Uiso 1 calc R .
C18' C 0.6033(6) 0.0736(7) 0.3005(8) 0.033(2) Uani 1 d . .
H18' H 0.5684(6) 0.0023(7) 0.2935(8) 0.040 Uiso 1 calc R .
C19' C 0.6909(6) 0.1427(6) 0.3878(7) 0.026(2) Uani 1 d . .
H19' H 0.7306(6) 0.1285(6) 0.4513(7) 0.032 Uiso 1 calc R .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
C7 W1 C6 90.7(3) . . ?
C7 W1 C5 91.3(3) . . ?
C6 W1 C5 90.8(3) . . ?
C7 W1 C8 86.3(3) . . ?
C6 W1 C8 89.4(3) . . ?
C5 W1 C8 177.6(3) . . ?
C7 W1 C9 92.7(3) . . ?
C6 W1 C9 176.5(3) . . ?
C5 W1 C9 88.6(3) . . ?
C8 W1 C9 91.3(3) . . ?
C7 W1 P1 178.4(2) . . ?
C6 W1 P1 88.9(2) . . ?
C5 W1 P1 87.1(2) . . ?
C8 W1 P1 95.3(2) . . ?
C9 W1 P1 87.6(2) . . ?
P1 Sb1 Mo2 58.03(5) . . ?
P1 Sb1 Mo1 54.73(5) . . ?
Mo2 Sb1 Mo1 65.99(3) . . ?
C2 Mo1 C1 88.8(3) . . ?
C2 Mo1 C11 87.6(3) . . ?
C1 Mo1 C11 94.0(3) . . ?
C2 Mo1 C12 82.2(3) . . ?
C1 Mo1 C12 129.3(3) . . ?
C11 Mo1 C12 36.2(3) . . ?
C2 Mo1 C10 122.5(3) . . ?
C1 Mo1 C10 85.8(3) . . ?
C11 Mo1 C10 36.1(3) . . ?
C12 Mo1 C10 59.3(3) . . ?
C2 Mo1 C13 111.6(3) . . ?
C1 Mo1 C13 143.9(3) . . ?
C11 Mo1 C13 59.2(3) . . ?
C12 Mo1 C13 35.1(3) . . ?
C10 Mo1 C13 58.2(3) . . ?
C2 Mo1 C14 140.6(3) . . ?
C1 Mo1 C14 111.6(3) . . ?
C11 Mo1 C14 58.8(3) . . ?
C12 Mo1 C14 58.7(3) . . ?
C10 Mo1 C14 34.1(3) . . ?
C13 Mo1 C14 35.3(3) . . ?
C2 Mo1 P1 89.4(2) . . ?
C1 Mo1 P1 122.6(2) . . ?
C11 Mo1 P1 143.2(2) . . ?
C12 Mo1 P1 107.2(2) . . ?
C10 Mo1 P1 139.3(2) . . ?
C13 Mo1 P1 88.3(2) . . ?
C14 Mo1 P1 105.2(2) . . ?
C2 Mo1 Sb1 76.6(2) . . ?
C1 Mo1 Sb1 70.7(2) . . ?
C11 Mo1 Sb1 158.0(2) . . ?
C12 Mo1 Sb1 150.7(2) . . ?
C10 Mo1 Sb1 150.1(2) . . ?
C13 Mo1 Sb1 141.2(2) . . ?
C14 Mo1 Sb1 141.0(2) . . ?
P1 Mo1 Sb1 53.19(5) . . ?
C2 Mo1 Mo2 130.4(2) . . ?
C1 Mo1 Mo2 87.3(2) . . ?
C11 Mo1 Mo2 142.0(2) . . ?
C12 Mo1 Mo2 134.7(2) . . ?
C10 Mo1 Mo2 106.5(2) . . ?
C13 Mo1 Mo2 99.7(2) . . ?
C14 Mo1 Mo2 85.4(2) . . ?
P1 Mo1 Mo2 53.16(5) . . ?
Sb1 Mo1 Mo2 55.57(3) . . ?
C4 Mo2 C3 88.7(3) . . ?
C4 Mo2 C17 86.6(3) . . ?
C3 Mo2 C17 95.4(3) . . ?
C4 Mo2 C18 82.9(3) . . ?
C3 Mo2 C18 130.9(3) . . ?
C17 Mo2 C18 36.0(3) . . ?
C4 Mo2 C16 121.0(3) . . ?
C3 Mo2 C16 85.5(3) . . ?
C17 Mo2 C16 36.1(3) . . ?
C18 Mo2 C16 59.3(3) . . ?
C4 Mo2 C19 113.2(3) . . ?
C3 Mo2 C19 143.5(3) . . ?
C17 Mo2 C19 59.2(3) . . ?
C18 Mo2 C19 35.2(3) . . ?
C16 Mo2 C19 58.4(3) . . ?
C4 Mo2 C15 141.0(3) . . ?
C3 Mo2 C15 111.0(3) . . ?
C17 Mo2 C15 59.2(3) . . ?
C18 Mo2 C15 58.6(3) . . ?
C16 Mo2 C15 34.9(3) . . ?
C19 Mo2 C15 34.9(3) . . ?
C4 Mo2 P1 81.9(2) . . ?
C3 Mo2 P1 71.7(2) . . ?
C17 Mo2 P1 162.8(2) . . ?
C18 Mo2 P1 152.4(2) . . ?
C16 Mo2 P1 147.7(2) . . ?
C19 Mo2 P1 137.4(2) . . ?
C15 Mo2 P1 135.4(2) . . ?
C4 Mo2 Sb1 87.9(2) . . ?
C3 Mo2 Sb1 125.3(2) . . ?
C17 Mo2 Sb1 138.8(2) . . ?
C18 Mo2 Sb1 102.8(2) . . ?
C16 Mo2 Sb1 140.0(2) . . ?
C19 Mo2 Sb1 86.0(2) . . ?
C15 Mo2 Sb1 105.2(2) . . ?
P1 Mo2 Sb1 53.79(5) . . ?
C4 Mo2 Mo1 131.8(2) . . ?
C3 Mo2 Mo1 85.5(2) . . ?
C17 Mo2 Mo1 141.5(2) . . ?
C18 Mo2 Mo1 133.9(2) . . ?
C16 Mo2 Mo1 106.1(2) . . ?
C19 Mo2 Mo1 98.8(2) . . ?
C15 Mo2 Mo1 84.5(2) . . ?
P1 Mo2 Mo1 50.93(5) . . ?
Sb1 Mo2 Mo1 58.44(3) . . ?
Sb1 P1 Mo1 72.08(6) . . ?
Sb1 P1 Mo2 68.17(6) . . ?
Mo1 P1 Mo2 75.91(6) . . ?
Sb1 P1 W1 130.01(8) . . ?
Mo1 P1 W1 139.46(8) . . ?
Mo2 P1 W1 140.08(8) . . ?
O1 C1 Mo1 172.7(7) . . ?
O2 C2 Mo1 172.8(8) . . ?
O3 C3 Mo2 177.1(7) . . ?
O4 C4 Mo2 174.5(7) . . ?
O5 C5 W1 178.0(7) . . ?
O6 C6 W1 179.0(6) . . ?
O7 C7 W1 177.7(7) . . ?
O8 C8 W1 176.8(8) . . ?
O9 C9 W1 178.6(7) . . ?
C14 C10 C11 109.7(7) . . ?
C14 C10 Mo1 75.4(5) . . ?
C11 C10 Mo1 70.9(5) . . ?
C12 C11 C10 106.3(7) . . ?
C12 C11 Mo1 72.1(5) . . ?
C10 C11 Mo1 73.0(5) . . ?
C13 C12 C11 108.4(8) . . ?
C13 C12 Mo1 74.5(5) . . ?
C11 C12 Mo1 71.7(5) . . ?
C12 C13 C14 108.0(8) . . ?
C12 C13 Mo1 70.4(5) . . ?
C14 C13 Mo1 73.6(5) . . ?
C10 C14 C13 107.5(8) . . ?
C10 C14 Mo1 70.5(5) . . ?
C13 C14 Mo1 71.2(5) . . ?
C16 C15 C19 107.6(7) . . ?
C16 C15 Mo2 70.0(4) . . ?
C19 C15 Mo2 72.1(4) . . ?
C15 C16 C17 108.7(8) . . ?
C15 C16 Mo2 75.1(4) . . ?
C17 C16 Mo2 70.5(4) . . ?
C18 C17 C16 107.3(7) . . ?
C18 C17 Mo2 73.3(4) . . ?
C16 C17 Mo2 73.5(4) . . ?
C19 C18 C17 108.3(7) . . ?
C19 C18 Mo2 74.7(4) . . ?
C17 C18 Mo2 70.7(4) . . ?
C18 C19 C15 108.1(7) . . ?
C18 C19 Mo2 70.2(4) . . ?
C15 C19 Mo2 73.0(4) . . ?
C7' W1' C5' 92.8(3) . . ?
C7' W1' C6' 91.8(3) . . ?
C5' W1' C6' 85.6(3) . . ?
C7' W1' C20' 88.6(3) . . ?
C5' W1' C20' 93.3(3) . . ?
C6' W1' C20' 178.9(3) . . ?
C7' W1' C8' 87.7(3) . . ?
C5' W1' C8' 174.3(3) . . ?
C6' W1' C8' 88.7(3) . . ?
C20' W1' C8' 92.4(3) . . ?
C7' W1' P1' 173.9(2) . . ?
C5' W1' P1' 87.4(2) . . ?
C6' W1' P1' 94.3(2) . . ?
C20' W1' P1' 85.3(2) . . ?
C8' W1' P1' 92.7(2) . . ?
P1' Sb1' Mo2' 57.87(5) . . ?
P1' Sb1' Mo1' 54.08(5) . . ?
Mo2' Sb1' Mo1' 65.82(3) . . ?
C2' Mo1' C1' 89.9(3) . . ?
C2' Mo1' C12' 81.6(3) . . ?
C1' Mo1' C12' 130.1(3) . . ?
C2' Mo1' C11' 88.0(3) . . ?
C1' Mo1' C11' 95.3(3) . . ?
C12' Mo1' C11' 35.8(3) . . ?
C2' Mo1' C10' 122.7(3) . . ?
C1' Mo1' C10' 86.3(3) . . ?
C12' Mo1' C10' 59.4(3) . . ?
C11' Mo1' C10' 35.9(3) . . ?
C2' Mo1' C13' 111.5(3) . . ?
C1' Mo1' C13' 144.2(3) . . ?
C12' Mo1' C13' 35.8(3) . . ?
C11' Mo1' C13' 59.0(3) . . ?
C10' Mo1' C13' 58.2(3) . . ?
C2' Mo1' C14' 140.7(3) . . ?
C1' Mo1' C14' 112.2(3) . . ?
C12' Mo1' C14' 59.2(3) . . ?
C11' Mo1' C14' 59.0(3) . . ?
C10' Mo1' C14' 34.8(3) . . ?
C13' Mo1' C14' 34.8(3) . . ?
C2' Mo1' P1' 88.8(2) . . ?
C1' Mo1' P1' 123.8(2) . . ?
C12' Mo1' P1' 105.2(2) . . ?
C11' Mo1' P1' 140.8(2) . . ?
C10' Mo1' P1' 138.2(2) . . ?
C13' Mo1' P1' 86.3(2) . . ?
C14' Mo1' P1' 103.3(2) . . ?
C2' Mo1' Sb1' 77.7(2) . . ?
C1' Mo1' Sb1' 71.6(2) . . ?
C12' Mo1' Sb1' 150.0(2) . . ?
C11' Mo1' Sb1' 160.3(2) . . ?
C10' Mo1' Sb1' 150.5(2) . . ?
C13' Mo1' Sb1' 139.1(2) . . ?
C14' Mo1' Sb1' 139.1(2) . . ?
P1' Mo1' Sb1' 53.36(5) . . ?
C2' Mo1' Mo2' 130.9(2) . . ?
C1' Mo1' Mo2' 88.6(2) . . ?
C12' Mo1' Mo2' 132.8(2) . . ?
C11' Mo1' Mo2' 141.0(2) . . ?
C10' Mo1' Mo2' 106.2(2) . . ?
C13' Mo1' Mo2' 97.2(2) . . ?
C14' Mo1' Mo2' 83.6(2) . . ?
P1' Mo1' Mo2' 53.22(5) . . ?
Sb1' Mo1' Mo2' 55.54(3) . . ?
C4' Mo2' C3' 87.7(3) . . ?
C4' Mo2' C17' 95.3(3) . . ?
C3' Mo2' C17' 90.8(3) . . ?
C4' Mo2' C18' 83.7(3) . . ?
C3' Mo2' C18' 124.6(3) . . ?
C17' Mo2' C18' 36.4(3) . . ?
C4' Mo2' C16' 129.9(3) . . ?
C3' Mo2' C16' 87.9(3) . . ?
C17' Mo2' C16' 35.0(3) . . ?
C18' Mo2' C16' 59.1(3) . . ?
C4' Mo2' C19' 109.4(3) . . ?
C3' Mo2' C19' 145.7(3) . . ?
C17' Mo2' C19' 59.0(3) . . ?
C18' Mo2' C19' 35.2(3) . . ?
C16' Mo2' C19' 58.2(3) . . ?
C4' Mo2' C15' 141.6(3) . . ?
C3' Mo2' C15' 117.1(3) . . ?
C17' Mo2' C15' 58.1(3) . . ?
C18' Mo2' C15' 58.4(3) . . ?
C16' Mo2' C15' 34.6(3) . . ?
C19' Mo2' C15' 34.7(3) . . ?
C4' Mo2' P1' 80.7(2) . . ?
C3' Mo2' P1' 71.1(2) . . ?
C17' Mo2' P1' 161.5(2) . . ?
C18' Mo2' P1' 157.4(2) . . ?
C16' Mo2' P1' 142.9(2) . . ?
C19' Mo2' P1' 139.3(2) . . ?
C15' Mo2' P1' 133.2(2) . . ?
C4' Mo2' Sb1' 81.4(2) . . ?
C3' Mo2' Sb1' 124.9(2) . . ?
C17' Mo2' Sb1' 143.7(2) . . ?
C18' Mo2' Sb1' 107.6(2) . . ?
C16' Mo2' Sb1' 138.2(2) . . ?
C19' Mo2' Sb1' 87.8(2) . . ?
C15' Mo2' Sb1' 103.6(2) . . ?
P1' Mo2' Sb1' 53.96(5) . . ?
C4' Mo2' Mo1' 128.6(2) . . ?
C3' Mo2' Mo1' 90.3(2) . . ?
C17' Mo2' Mo1' 136.1(3) . . ?
C18' Mo2' Mo1' 135.7(2) . . ?
C16' Mo2' Mo1' 101.2(2) . . ?
C19' Mo2' Mo1' 100.5(2) . . ?
C15' Mo2' Mo1' 82.7(2) . . ?
P1' Mo2' Mo1' 50.52(5) . . ?
Sb1' Mo2' Mo1' 58.64(4) . . ?
Sb1' P1' Mo1' 72.56(6) . . ?
Sb1' P1' W1' 131.97(8) . . ?
Mo1' P1' W1' 136.89(8) . . ?
Sb1' P1' Mo2' 68.17(5) . . ?
Mo1' P1' Mo2' 76.26(6) . . ?
W1' P1' Mo2' 140.94(8) . . ?
O1' C1' Mo1' 174.3(6) . . ?
O2' C2' Mo1' 175.7(7) . . ?
O3' C3' Mo2' 176.8(8) . . ?
O4' C4' Mo2' 176.9(7) . . ?
O5' C5' W1' 175.2(6) . . ?
O6' C6' W1' 177.2(7) . . ?
O7' C7' W1' 175.6(6) . . ?
O8' C8' W1' 176.2(8) . . ?
O20' C20' W1' 178.9(6) . . ?
C14' C10' C11' 108.6(7) . . ?
C14' C10' Mo1' 74.4(5) . . ?
C11' C10' Mo1' 70.7(4) . . ?
C12' C11' C10' 107.9(8) . . ?
C12' C11' Mo1' 72.1(4) . . ?
C10' C11' Mo1' 73.4(4) . . ?
C11' C12' C13' 107.4(7) . . ?
C11' C12' Mo1' 72.1(4) . . ?
C13' C12' Mo1' 74.4(4) . . ?
C14' C13' C12' 108.6(7) . . ?
C14' C13' Mo1' 73.6(4) . . ?
C12' C13' Mo1' 69.9(4) . . ?
C10' C14' C13' 107.4(8) . . ?
C10' C14' Mo1' 70.8(4) . . ?
C13' C14' Mo1' 71.6(5) . . ?
C16' C15' C19' 108.2(8) . . ?
C16' C15' Mo2' 70.9(5) . . ?
C19' C15' Mo2' 71.8(5) . . ?
C17' C16' C15' 108.9(8) . . ?
C17' C16' Mo2' 71.2(5) . . ?
C15' C16' Mo2' 74.5(5) . . ?
C16' C17' C18' 108.0(8) . . ?
C16' C17' Mo2' 73.8(4) . . ?
C18' C17' Mo2' 72.6(4) . . ?
C19' C18' C17' 106.6(8) . . ?
C19' C18' Mo2' 73.8(4) . . ?
C17' C18' Mo2' 71.0(4) . . ?
C15' C19' C18' 108.3(8) . . ?
C15' C19' Mo2' 73.5(4) . . ?
C18' C19' Mo2' 71.0(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
W1 C7 1.973(8) . ?
W1 C6 2.011(7) . ?
W1 C5 2.048(8) . ?
W1 C8 2.056(8) . ?
W1 C9 2.059(8) . ?
W1 P1 2.528(2) . ?
Sb1 P1 2.401(2) . ?
Sb1 Mo2 2.762(2) . ?
Sb1 Mo1 2.8532(13) . ?
Mo1 C2 1.977(9) . ?
Mo1 C1 2.020(8) . ?
Mo1 C11 2.289(8) . ?
Mo1 C12 2.295(8) . ?
Mo1 C10 2.318(8) . ?
Mo1 C13 2.348(8) . ?
Mo1 C14 2.380(8) . ?
Mo1 P1 2.448(2) . ?
Mo1 Mo2 3.0588(12) . ?
Mo2 C4 1.986(9) . ?
Mo2 C3 1.991(8) . ?
Mo2 C17 2.271(8) . ?
Mo2 C18 2.305(7) . ?
Mo2 C16 2.310(7) . ?
Mo2 C19 2.363(7) . ?
Mo2 C15 2.376(7) . ?
Mo2 P1 2.524(2) . ?
C1 O1 1.137(9) . ?
O2 C2 1.136(10) . ?
O3 C3 1.143(9) . ?
C4 O4 1.148(10) . ?
C5 O5 1.134(9) . ?
C6 O6 1.154(9) . ?
O7 C7 1.175(10) . ?
C8 O8 1.112(10) . ?
C9 O9 1.135(10) . ?
C10 C14 1.379(12) . ?
C10 C11 1.426(13) . ?
C11 C12 1.423(12) . ?
C12 C13 1.402(12) . ?
C13 C14 1.432(12) . ?
C15 C16 1.407(11) . ?
C15 C19 1.420(11) . ?
C16 C17 1.419(12) . ?
C17 C18 1.415(13) . ?
C18 C19 1.411(11) . ?
W1' C7' 1.983(8) . ?
W1' C5' 2.021(8) . ?
W1' C6' 2.032(8) . ?
W1' C20' 2.048(8) . ?
W1' C8' 2.056(8) . ?
W1' P1' 2.518(2) . ?
Sb1' P1' 2.410(2) . ?
Sb1' Mo2' 2.7665(11) . ?
Sb1' Mo1' 2.865(2) . ?
Mo1' C2' 1.992(8) . ?
Mo1' C1' 1.994(7) . ?
Mo1' C12' 2.291(7) . ?
Mo1' C11' 2.291(8) . ?
Mo1' C10' 2.328(8) . ?
Mo1' C13' 2.349(8) . ?
Mo1' C14' 2.374(8) . ?
Mo1' P1' 2.432(2) . ?
Mo1' Mo2' 3.061(2) . ?
Mo2' C4' 1.977(8) . ?
Mo2' C3' 1.998(8) . ?
Mo2' C17' 2.291(7) . ?
Mo2' C18' 2.312(7) . ?
Mo2' C16' 2.323(8) . ?
Mo2' C19' 2.348(7) . ?
Mo2' C15' 2.370(8) . ?
Mo2' P1' 2.524(2) . ?
O1' C1' 1.141(9) . ?
O2' C2' 1.138(10) . ?
C3' O3' 1.144(10) . ?
O4' C4' 1.141(10) . ?
O5' C5' 1.149(9) . ?
C6' O6' 1.138(9) . ?
C7' O7' 1.153(9) . ?
C8' O8' 1.123(10) . ?
C20' O20' 1.147(10) . ?
C10' C14' 1.408(13) . ?
C10' C11' 1.424(12) . ?
C11' C12' 1.408(12) . ?
C12' C13' 1.426(12) . ?
C13' C14' 1.412(12) . ?
C15' C16' 1.398(13) . ?
C15' C19' 1.408(12) . ?
C16' C17' 1.387(14) . ?
C17' C18' 1.440(13) . ?
C18' C19' 1.410(12) . ?
