#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179854 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/50/7015001.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_7015001
loop_
_publ_author_name
'Albrecht, Carolin'
'Bode, Maren'
'Pérez, Janaina Marinas'
'Daniels, Jörg'
'Schnakenburg, Gregor'
'Streubel, Rainer'
_publ_section_title
;
 First examples of oxaphosphirane pentacarbonylchromium(0) and
 -molybdenum(0) complexes: synthesis, structures and reactions
;
_journal_issue                   11
_journal_name_full               'Dalton Transactions'
_journal_page_first              2654
_journal_paper_doi               10.1039/c0dt01509a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C17 H19 Mo O6 P'
_chemical_formula_sum            'C17 H19 Mo O6 P'
_chemical_formula_weight         446.23
_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
_cell_angle_alpha                87.2385(15)
_cell_angle_beta                 86.4875(15)
_cell_angle_gamma                89.1165(13)
_cell_formula_units_Z            4
_cell_length_a                   9.3112(3)
_cell_length_b                   13.6564(3)
_cell_length_c                   15.4475(3)
_cell_measurement_reflns_used    20869
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      34.975
_cell_measurement_theta_min      0.998
_cell_volume                     1958.15(9)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0493
_diffrn_reflns_av_sigmaI/netI    0.0630
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            29432
_diffrn_reflns_theta_full        30.50
_diffrn_reflns_theta_max         30.50
_diffrn_reflns_theta_min         2.63
_exptl_absorpt_coefficient_mu    0.779
_exptl_absorpt_correction_T_max  0.88763
_exptl_absorpt_correction_T_min  0.77032
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.556
_refine_diff_density_min         -0.792
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.937
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         11948
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.937
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0126P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0548
_refine_ls_wR_factor_ref         0.0587
_reflns_number_gt                9034
_reflns_number_total             11948
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01509A.TXT
_cod_data_source_block           Greg283
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed
to 'multi-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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_database_code               7015001
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
C1 C 0.8363(2) 0.30325(12) 0.16657(10) 0.0226(4) Uani 1 1 d . . .
H1A H 0.9222 0.2671 0.1882 0.027 Uiso 1 1 calc R . .
C2 C 0.8154(2) 0.29639(13) 0.07143(10) 0.0310(5) Uani 1 1 d . . .
H2C H 0.9045 0.3147 0.0379 0.046 Uiso 1 1 calc R . .
H2B H 0.7374 0.3410 0.0547 0.046 Uiso 1 1 calc R . .
H2A H 0.7907 0.2290 0.0596 0.046 Uiso 1 1 calc R . .
C3 C 0.87689(19) 0.40042(11) 0.32785(9) 0.0175(3) Uani 1 1 d . . .
C4 C 0.99562(19) 0.47531(12) 0.31057(10) 0.0202(4) Uani 1 1 d . . .
C5 C 0.9687(2) 0.54984(12) 0.36396(10) 0.0210(4) Uani 1 1 d . . .
C6 C 0.8355(2) 0.53136(11) 0.41714(9) 0.0190(4) Uani 1 1 d . . .
C7 C 0.78024(19) 0.44492(11) 0.39804(9) 0.0172(3) Uani 1 1 d . . .
C8 C 0.9312(2) 0.29744(12) 0.35430(10) 0.0251(4) Uani 1 1 d . . .
H8A H 0.9680 0.2978 0.4124 0.038 Uiso 1 1 calc R . .
H8B H 1.0085 0.2776 0.3126 0.038 Uiso 1 1 calc R . .
H8C H 0.8519 0.2510 0.3549 0.038 Uiso 1 1 calc R . .
C9 C 1.1188(2) 0.46132(14) 0.24483(11) 0.0331(5) Uani 1 1 d . . .
H9A H 1.0814 0.4491 0.1885 0.050 Uiso 1 1 calc R . .
H9B H 1.1781 0.4052 0.2636 0.050 Uiso 1 1 calc R . .
H9C H 1.1775 0.5205 0.2395 0.050 Uiso 1 1 calc R . .
C10 C 1.0611(2) 0.63792(13) 0.37217(12) 0.0310(4) Uani 1 1 d . . .
H10A H 1.1356 0.6410 0.3245 0.046 Uiso 1 1 calc R . .
H10B H 1.1066 0.6326 0.4278 0.046 Uiso 1 1 calc R . .
H10C H 1.0012 0.6975 0.3696 0.046 Uiso 1 1 calc R . .
C11 C 0.7747(2) 0.60083(13) 0.48336(10) 0.0298(4) Uani 1 1 d . . .
H11A H 0.7641 0.6664 0.4557 0.045 Uiso 1 1 calc R . .
H11B H 0.8400 0.6035 0.5306 0.045 Uiso 1 1 calc R . .
H11C H 0.6804 0.5777 0.5068 0.045 Uiso 1 1 calc R . .
C12 C 0.6517(2) 0.39220(12) 0.43844(10) 0.0246(4) Uani 1 1 d . . .
H12A H 0.6834 0.3351 0.4735 0.037 Uiso 1 1 calc R . .
H12B H 0.5927 0.3706 0.3927 0.037 Uiso 1 1 calc R . .
H12C H 0.5949 0.4364 0.4756 0.037 Uiso 1 1 calc R . .
C13 C 0.5135(2) 0.65212(13) 0.11695(10) 0.0248(4) Uani 1 1 d . . .
C14 C 0.7788(2) 0.55511(12) 0.06457(10) 0.0225(4) Uani 1 1 d . . .
C15 C 0.7443(2) 0.65622(13) 0.22888(10) 0.0237(4) Uani 1 1 d . . .
C16 C 0.5029(2) 0.54567(12) 0.28199(10) 0.0231(4) Uani 1 1 d . . .
C17 C 0.5088(2) 0.44975(13) 0.11975(10) 0.0238(4) Uani 1 1 d . . .
C18 C 0.2936(2) 1.17626(12) 0.14350(10) 0.0266(4) Uani 1 1 d . . .
H18A H 0.3712 1.2214 0.1580 0.032 Uiso 1 1 calc R . .
C19 C 0.2639(2) 1.17653(14) 0.04910(11) 0.0360(5) Uani 1 1 d . . .
H19C H 0.3539 1.1650 0.0146 0.054 Uiso 1 1 calc R . .
H19B H 0.2225 1.2402 0.0311 0.054 Uiso 1 1 calc R . .
H19A H 0.1957 1.1245 0.0400 0.054 Uiso 1 1 calc R . .
C20 C 0.36479(19) 1.09323(11) 0.31577(9) 0.0188(4) Uani 1 1 d . . .
C21 C 0.27238(19) 1.04929(11) 0.39110(9) 0.0173(3) Uani 1 1 d . . .
C22 C 0.3385(2) 0.96765(11) 0.42259(10) 0.0191(4) Uani 1 1 d . . .
C23 C 0.4772(2) 0.95347(12) 0.37348(10) 0.0210(4) Uani 1 1 d . . .
C24 C 0.49435(19) 1.02483(12) 0.31039(10) 0.0209(4) Uani 1 1 d . . .
C25 C 0.4020(2) 1.20104(12) 0.32759(11) 0.0272(4) Uani 1 1 d . . .
H25A H 0.4387 1.2074 0.3851 0.041 Uiso 1 1 calc R . .
H25B H 0.3153 1.2420 0.3223 0.041 Uiso 1 1 calc R . .
H25C H 0.4755 1.2224 0.2828 0.041 Uiso 1 1 calc R . .
C26 C 0.1355(2) 1.09652(12) 0.42357(10) 0.0228(4) Uani 1 1 d . . .
H26A H 0.0687 1.1019 0.3769 0.034 Uiso 1 1 calc R . .
H26B H 0.1554 1.1621 0.4426 0.034 Uiso 1 1 calc R . .
H26C H 0.0923 1.0567 0.4726 0.034 Uiso 1 1 calc R . .
C27 C 0.2851(2) 0.89932(12) 0.49645(10) 0.0285(4) Uani 1 1 d . . .
H27A H 0.2648 0.8353 0.4742 0.043 Uiso 1 1 calc R . .
H27B H 0.1970 0.9266 0.5243 0.043 Uiso 1 1 calc R . .
H27C H 0.3588 0.8915 0.5390 0.043 Uiso 1 1 calc R . .
C28 C 0.5816(2) 0.87239(13) 0.39636(12) 0.0316(5) Uani 1 1 d . . .
H28A H 0.5306 0.8101 0.4038 0.047 Uiso 1 1 calc R . .
H28B H 0.6251 0.8863 0.4506 0.047 Uiso 1 1 calc R . .
H28C H 0.6572 0.8680 0.3496 0.047 Uiso 1 1 calc R . .
C29 C 0.6188(2) 1.04113(14) 0.24553(12) 0.0337(5) Uani 1 1 d . . .
H29C H 0.6896 0.9879 0.2524 0.051 Uiso 1 1 calc R . .
H29B H 0.6636 1.1039 0.2550 0.051 Uiso 1 1 calc R . .
H29A H 0.5847 1.0423 0.1867 0.051 Uiso 1 1 calc R . .
C30 C 0.0813(2) 0.78969(15) 0.14510(11) 0.0349(5) Uani 1 1 d . . .
C31 C 0.2981(2) 0.92164(12) 0.07020(10) 0.0219(4) Uani 1 1 d . . .
C32 C 0.0038(2) 0.99162(15) 0.12214(11) 0.0315(5) Uani 1 1 d . . .
C33 C 0.0357(2) 0.90937(12) 0.29363(11) 0.0253(4) Uani 1 1 d . . .
C34 C 0.3109(2) 0.82799(13) 0.24271(11) 0.0275(4) Uani 1 1 d . . .
Mo1 Mo 0.636466(16) 0.548051(10) 0.172260(8) 0.01593(4) Uani 1 1 d . . .
Mo2 Mo 0.163975(17) 0.915165(10) 0.181392(8) 0.01839(4) Uani 1 1 d . . .
O1 O 0.70275(14) 0.29460(8) 0.22416(7) 0.0227(3) Uani 1 1 d . . .
O2 O 0.44194(16) 0.70935(9) 0.08336(8) 0.0377(4) Uani 1 1 d . . .
O3 O 0.85739(16) 0.56049(9) 0.00552(8) 0.0348(3) Uani 1 1 d . . .
O4 O 0.79088(15) 0.72131(9) 0.26004(8) 0.0334(3) Uani 1 1 d . . .
O5 O 0.42899(16) 0.54784(10) 0.34354(8) 0.0366(3) Uani 1 1 d . . .
O6 O 0.43128(16) 0.39758(9) 0.09143(8) 0.0361(3) Uani 1 1 d . . .
O8 O 0.03627(19) 0.71706(11) 0.12501(9) 0.0581(5) Uani 1 1 d . . .
O7 O 0.16347(14) 1.17523(8) 0.20439(7) 0.0266(3) Uani 1 1 d . . .
O9 O 0.37246(15) 0.92458(9) 0.00894(7) 0.0301(3) Uani 1 1 d . . .
O10 O -0.08802(17) 1.03272(12) 0.09038(9) 0.0496(4) Uani 1 1 d . . .
O11 O -0.03694(16) 0.90444(10) 0.35580(8) 0.0377(4) Uani 1 1 d . . .
O12 O 0.38404(17) 0.77126(9) 0.27502(8) 0.0414(4) Uani 1 1 d . . .
P1 P 0.77606(5) 0.40518(3) 0.22792(2) 0.01642(9) Uani 1 1 d . . .
P2 P 0.26376(5) 1.07362(3) 0.21804(3) 0.01814(9) 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 0.0033 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'
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
O1 C1 C2 115.07(15) . . ?
O1 C1 P1 60.63(7) . . ?
C2 C1 P1 123.52(13) . . ?
O1 C1 H1A 115.3 . . ?
C2 C1 H1A 115.3 . . ?
P1 C1 H1A 115.3 . . ?
C1 C2 H2C 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2C C2 H2B 109.5 . . ?
C1 C2 H2A 109.5 . . ?
H2C C2 H2A 109.5 . . ?
H2B C2 H2A 109.5 . . ?
C7 C3 C4 103.41(13) . . ?
C7 C3 C8 112.69(13) . . ?
C4 C3 C8 113.96(15) . . ?
C7 C3 P1 106.99(11) . . ?
C4 C3 P1 105.20(10) . . ?
C8 C3 P1 113.71(10) . . ?
C5 C4 C9 129.29(16) . . ?
C5 C4 C3 108.28(15) . . ?
C9 C4 C3 122.42(14) . . ?
C4 C5 C6 109.74(15) . . ?
C4 C5 C10 126.80(17) . . ?
C6 C5 C10 123.42(15) . . ?
C7 C6 C5 109.93(14) . . ?
C7 C6 C11 126.91(16) . . ?
C5 C6 C11 123.16(15) . . ?
C6 C7 C12 129.71(15) . . ?
C6 C7 C3 108.63(15) . . ?
C12 C7 C3 121.57(14) . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C6 C11 H11A 109.5 . . ?
C6 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C6 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C7 C12 H12A 109.5 . . ?
C7 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C7 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O2 C13 Mo1 177.66(15) . . ?
O3 C14 Mo1 178.94(15) . . ?
O4 C15 Mo1 172.93(16) . . ?
O5 C16 Mo1 177.54(15) . . ?
O6 C17 Mo1 176.50(16) . . ?
O7 C18 C19 114.99(16) . . ?
O7 C18 P2 60.69(8) . . ?
C19 C18 P2 124.00(13) . . ?
O7 C18 H18A 115.2 . . ?
C19 C18 H18A 115.2 . . ?
P2 C18 H18A 115.2 . . ?
C18 C19 H19C 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19C C19 H19B 109.5 . . ?
C18 C19 H19A 109.5 . . ?
H19C C19 H19A 109.5 . . ?
H19B C19 H19A 109.5 . . ?
C21 C20 C24 103.46(13) . . ?
C21 C20 C25 112.76(13) . . ?
C24 C20 C25 114.11(15) . . ?
C21 C20 P2 105.13(11) . . ?
C24 C20 P2 106.26(10) . . ?
C25 C20 P2 114.13(11) . . ?
C22 C21 C26 128.90(15) . . ?
C22 C21 C20 108.77(15) . . ?
C26 C21 C20 122.26(14) . . ?
C21 C22 C23 109.53(15) . . ?
C21 C22 C27 127.43(17) . . ?
C23 C22 C27 123.04(16) . . ?
C24 C23 C22 109.56(16) . . ?
C24 C23 C28 127.70(18) . . ?
C22 C23 C28 122.69(15) . . ?
C23 C24 C29 128.61(17) . . ?
C23 C24 C20 108.65(15) . . ?
C29 C24 C20 122.70(15) . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29C 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29C C29 H29B 109.5 . . ?
C24 C29 H29A 109.5 . . ?
H29C C29 H29A 109.5 . . ?
H29B C29 H29A 109.5 . . ?
O8 C30 Mo2 178.7(2) . . ?
O9 C31 Mo2 179.53(16) . . ?
O10 C32 Mo2 178.21(19) . . ?
O11 C33 Mo2 178.65(15) . . ?
O12 C34 Mo2 172.79(16) . . ?
C13 Mo1 C17 86.31(7) . . ?
C13 Mo1 C16 90.48(7) . . ?
C17 Mo1 C16 89.95(7) . . ?
C13 Mo1 C15 88.83(7) . . ?
C17 Mo1 C15 173.46(7) . . ?
C16 Mo1 C15 85.71(7) . . ?
C13 Mo1 C14 90.03(7) . . ?
C17 Mo1 C14 93.09(7) . . ?
C16 Mo1 C14 176.94(7) . . ?
C15 Mo1 C14 91.29(7) . . ?
C13 Mo1 P1 172.80(5) . . ?
C17 Mo1 P1 86.83(5) . . ?
C16 Mo1 P1 91.70(5) . . ?
C15 Mo1 P1 98.17(5) . . ?
C14 Mo1 P1 88.15(5) . . ?
C30 Mo2 C33 90.93(7) . . ?
C30 Mo2 C32 89.43(8) . . ?
C33 Mo2 C32 88.71(7) . . ?
C30 Mo2 C34 85.85(8) . . ?
C33 Mo2 C34 88.68(7) . . ?
C32 Mo2 C34 174.58(7) . . ?
C30 Mo2 C31 90.09(7) . . ?
C33 Mo2 C31 178.43(7) . . ?
C32 Mo2 C31 92.50(7) . . ?
C34 Mo2 C31 90.19(7) . . ?
C30 Mo2 P2 176.87(5) . . ?
C33 Mo2 P2 91.18(5) . . ?
C32 Mo2 P2 88.30(6) . . ?
C34 Mo2 P2 96.51(5) . . ?
C31 Mo2 P2 87.85(5) . . ?
C1 O1 P1 68.56(8) . . ?
C18 O7 P2 68.49(8) . . ?
O1 P1 C1 50.81(7) . . ?
O1 P1 C3 105.60(6) . . ?
C1 P1 C3 107.01(8) . . ?
O1 P1 Mo1 117.35(5) . . ?
C1 P1 Mo1 125.56(6) . . ?
C3 P1 Mo1 125.57(5) . . ?
O7 P2 C18 50.83(7) . . ?
O7 P2 C20 105.09(7) . . ?
C18 P2 C20 108.16(8) . . ?
O7 P2 Mo2 118.54(5) . . ?
C18 P2 Mo2 125.01(6) . . ?
C20 P2 Mo2 124.86(5) . . ?
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
C1 O1 1.487(2) . ?
C1 C2 1.502(2) . ?
C1 P1 1.7856(16) . ?
C1 H1A 1.0000 . ?
C2 H2C 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2A 0.9800 . ?
C3 C7 1.511(2) . ?
C3 C4 1.520(2) . ?
C3 C8 1.533(2) . ?
C3 P1 1.8534(15) . ?
C4 C5 1.352(2) . ?
C4 C9 1.501(2) . ?
C5 C6 1.463(2) . ?
C5 C10 1.504(2) . ?
C6 C7 1.348(2) . ?
C6 C11 1.508(2) . ?
C7 C12 1.494(2) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 O2 1.145(2) . ?
C13 Mo1 2.0032(18) . ?
C14 O3 1.134(2) . ?
C14 Mo1 2.0621(18) . ?
C15 O4 1.1352(19) . ?
C15 Mo1 2.0574(18) . ?
C16 O5 1.140(2) . ?
C16 Mo1 2.0392(18) . ?
C17 O6 1.142(2) . ?
C17 Mo1 2.0359(18) . ?
C18 O7 1.487(2) . ?
C18 C19 1.501(2) . ?
C18 P2 1.7847(17) . ?
C18 H18A 1.0000 . ?
C19 H19C 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19A 0.9800 . ?
C20 C21 1.510(2) . ?
C20 C24 1.515(2) . ?
C20 C25 1.540(2) . ?
C20 P2 1.8592(15) . ?
C21 C22 1.350(2) . ?
C21 C26 1.490(2) . ?
C22 C23 1.472(2) . ?
C22 C27 1.504(2) . ?
C23 C24 1.349(2) . ?
C23 C28 1.506(2) . ?
C24 C29 1.497(2) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29C 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29A 0.9800 . ?
C30 O8 1.146(2) . ?
C30 Mo2 2.0073(19) . ?
C31 O9 1.137(2) . ?
C31 Mo2 2.0601(18) . ?
C32 O10 1.139(2) . ?
C32 Mo2 2.044(2) . ?
C33 O11 1.140(2) . ?
C33 Mo2 2.0433(18) . ?
C34 O12 1.141(2) . ?
C34 Mo2 2.046(2) . ?
Mo1 P1 2.4763(5) . ?
Mo2 P2 2.4720(4) . ?
O1 P1 1.6719(11) . ?
O7 P2 1.6727(12) . ?
