#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:40:20 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179341 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/38/4323868.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_4323868
loop_
_publ_author_name
'Deirdre I. Arnold'
'F. Albert Cotton'
'Fritz E. Kühn'
_publ_section_title
;
 Preparation and Characterization of
 Bis[(μ-acetato)halo(μ-bis(diphenylphosphino)amine)molybdenum(II)]
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4733
_journal_page_last               4737
_journal_paper_doi               10.1021/ic9514758
_journal_volume                  35
_journal_year                    1996
_chemical_compound_source        synthesized
_chemical_formula_analytical     'not done'
_chemical_formula_moiety         'C56 H57 I2 Mo2 N3 O5 P4'
_chemical_formula_structural     '(Mo I(C2 H3 O2)(C2 H21 N2 P4))2 (C4 H9 N O)'
_chemical_formula_sum            'C56 H57 I2 Mo2 N3 O5 P4'
_chemical_formula_weight         1421.64
_chemical_name_systematic
;
 Di[(μ-acetato)iodo(m-(\bis(dipenylphosphino)amine)molybdenum(III)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 95.81(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.607(9)
_cell_length_b                   16.020(3)
_cell_length_c                   17.189(5)
_cell_measurement_reflns_used    243
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      40
_cell_measurement_theta_min      16
_cell_volume                     5645(3)
_computing_cell_refinement       MADNES
_computing_data_collection       MADNES
_computing_data_reduction        MADNES
_computing_molecular_graphics    'ORTEP (Ulm, 1992)'
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Enraf-Nonius Fast'
_diffrn_measurement_method       'Frames from 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  0.0722
_diffrn_reflns_av_sigmaI/netI    0.0585
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19012
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         2.06
_diffrn_standards_decay_%        'none observed'
_diffrn_standards_interval_count 'every image'
_diffrn_standards_interval_time  'every image'
_diffrn_standards_number         'no standards, scaled on \b-lights'
_exptl_absorpt_coefficient_mu    1.700
_exptl_absorpt_correction_T_max  'not measured'
_exptl_absorpt_correction_T_min  'not measured'
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red-violett
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not done'
_exptl_crystal_description       'block shaped'
_exptl_crystal_F_000             2780
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.150
_refine_diff_density_min         -0.824
_refine_diff_density_rms         0.198
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.083
_refine_ls_goodness_of_fit_obs   1.044
_refine_ls_hydrogen_treatment    'HFIX 137 riding on pivotal C, common U'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     624
_refine_ls_number_reflns         6095
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.187
_refine_ls_restrained_S_obs      1.043
_refine_ls_R_factor_all          0.0951
_refine_ls_R_factor_obs          0.0558
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0419P)²+120.0507P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1715
_refine_ls_wR_factor_obs         0.1273
_reflns_number_observed          5146
_reflns_number_total             6972
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9514758_3.cif
_cod_data_source_block           Mo2I2(dppa)2(Ac)2_(CH3CN)_(C2H5OH)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0419P)^2^+120.0507P] 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^)+(0.0419P)^2^+120.0507P] 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        5645.4(31)
_cod_database_code               4323868
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
I1 I 0.27256(4) 0.79865(5) 0.24628(4) 0.0250(2) Uani 1 d . .
Mo1 Mo 0.24087(4) 0.92792(5) 0.10714(5) 0.0127(2) Uani 1 d . .
Mo2 Mo 0.21469(4) 1.01660(6) 0.01426(5) 0.0140(2) Uani 1 d . .
I2 I 0.17170(4) 1.14001(5) -0.12584(4) 0.0311(2) Uani 1 d . .
P1 P 0.25740(13) 0.7966(2) 0.02488(15) 0.0141(6) Uani 1 d . .
P2 P 0.22319(14) 0.1538(2) 0.0942(2) 0.0165(6) Uani 1 d . .
P3 P 0.24771(13) 0.0338(2) 0.2196(2) 0.0147(6) Uani 1 d . .
P4 P 0.21079(14) 0.9112(2) -0.1000(2) 0.0166(6) Uani 1 d . .
O1 O 0.1423(3) 0.9015(4) 0.1156(4) 0.019(2) Uani 1 d . .
O2 O 0.1145(4) 0.9965(4) 0.0235(4) 0.021(2) Uani 1 d . .
O3 O 0.3135(4) 1.0383(5) 0.0025(4) 0.025(2) Uani 1 d . .
O4 O 0.3404(3) 0.9490(4) 0.1003(4) 0.018(2) Uani 1 d . .
N1 N 0.2562(4) 0.1306(5) 0.1854(5) 0.016(2) Uani 1 d U .
H1 H 0.2771(4) 0.1679(5) 0.2138(5) 0.023(23) Uiso 1 calc R .
N2 N 0.2524(4) 0.8251(5) -0.0695(5) 0.017(2) Uani 1 d . .
H2 H 0.2712(4) 0.7955(5) -0.1024(5) 0.023(23) Uiso 1 calc R .
C1 C 0.0999(5) 0.9402(7) 0.0707(6) 0.020(3) Uani 1 d . .
C2 C 0.3555(6) 1.0007(7) 0.0473(6) 0.022(3) Uani 1 d . .
C3 C 0.0303(6) 0.9156(8) 0.0739(8) 0.037(3) Uani 1 d . .
H3A H 0.0242(14) 0.8591(25) 0.0560(64) 0.099(27) Uiso 1 calc R .
H3B H 0.0027(7) 0.9521(46) 0.0409(53) 0.099(27) Uiso 1 calc R .
H3C H 0.0194(17) 0.9199(69) 0.1267(14) 0.099(27) Uiso 1 calc R .
C4 C 0.4268(6) 1.0153(9) 0.0424(8) 0.040(3) Uani 1 d . .
H4A H 0.4470(12) 0.9640(19) 0.0290(67) 0.099(27) Uiso 1 calc R .
H4B H 0.4466(12) 1.0346(69) 0.0921(21) 0.099(27) Uiso 1 calc R .
H4C H 0.4323(6) 1.0565(54) 0.0031(48) 0.099(27) Uiso 1 calc R .
C1A C 0.2045(5) 0.7072(6) 0.0318(6) 0.014(2) Uani 1 d . .
C1B C 0.1549(6) 0.7064(7) 0.0830(7) 0.025(3) Uani 1 d . .
H1B H 0.1487(6) 0.7525(7) 0.1143(7) 0.026(5) Uiso 1 calc R .
C1C C 0.1160(6) 0.6373(8) 0.0862(7) 0.033(3) Uani 1 d . .
H1C H 0.0829(6) 0.6377(8) 0.1191(7) 0.026(5) Uiso 1 calc R .
C1D C 0.1248(6) 0.5667(8) 0.0417(7) 0.033(3) Uani 1 d . .
H1D H 0.0987(6) 0.5198(8) 0.0455(7) 0.026(5) Uiso 1 calc R .
C1E C 0.1728(7) 0.5676(8) -0.0081(8) 0.044(4) Uani 1 d . .
H1E H 0.1788(7) 0.5212(8) -0.0391(8) 0.026(5) Uiso 1 calc R .
C1F C 0.2121(5) 0.6367(7) -0.0125(7) 0.022(3) Uani 1 d . .
H1F H 0.2447(5) 0.6359(7) -0.0462(7) 0.026(5) Uiso 1 calc R .
C1G C 0.3383(5) 0.7498(7) 0.0392(6) 0.016(2) Uani 1 d U .
C1H C 0.3878(6) 0.7820(8) -0.0005(7) 0.029(3) Uani 1 d . .
H1H H 0.3793(6) 0.8271(8) -0.0341(7) 0.026(5) Uiso 1 calc R .
C1I C 0.4501(6) 0.7478(7) 0.0093(7) 0.028(3) Uani 1 d . .
H1I H 0.4827(6) 0.7683(7) -0.0190(7) 0.026(5) Uiso 1 calc R .
C1K C 0.4628(6) 0.6832(8) 0.0616(7) 0.030(3) Uani 1 d . .
H1K H 0.5044(6) 0.6603(8) 0.0688(7) 0.026(5) Uiso 1 calc R .
C1L C 0.4141(6) 0.6522(7) 0.1034(7) 0.027(3) Uani 1 d . .
H1L H 0.4235(6) 0.6097(7) 0.1397(7) 0.026(5) Uiso 1 calc R .
C1M C 0.3522(5) 0.6839(7) 0.0913(6) 0.019(3) Uani 1 d . .
H1M H 0.3192(5) 0.6614(7) 0.1179(6) 0.026(5) Uiso 1 calc R .
C2A C 0.1505(5) 0.2194(6) 0.1001(6) 0.016(2) Uani 1 d . .
C2B C 0.0963(6) 0.2084(8) 0.0498(7) 0.030(3) Uani 1 d . .
H2B H 0.0926(6) 0.1623(8) 0.0167(7) 0.026(5) Uiso 1 calc R .
C2C C 0.0465(6) 0.2662(7) 0.0480(7) 0.030(3) Uani 1 d . .
H2C H 0.0091(6) 0.2586(7) 0.0136(7) 0.026(5) Uiso 1 calc R .
C2D C 0.0511(6) 0.3336(7) 0.0953(7) 0.032(3) Uani 1 d . .
H2D H 0.0179(6) 0.3731(7) 0.0921(7) 0.026(5) Uiso 1 calc R .
C2E C 0.1046(7) 0.3436(7) 0.1477(7) 0.034(3) Uani 1 d . .
H2E H 0.1071(7) 0.3890(7) 0.1816(7) 0.026(5) Uiso 1 calc R .
C2F C 0.1544(6) 0.2876(7) 0.1508(7) 0.025(3) Uani 1 d . .
H2F H 0.1909(6) 0.2947(7) 0.1866(7) 0.026(5) Uiso 1 calc R .
C2G C 0.2793(5) 0.2330(6) 0.0648(6) 0.015(2) Uani 1 d U .
C2H C 0.2591(7) 0.2948(8) 0.0135(7) 0.035(3) Uani 1 d . .
H2H H 0.2160(7) 0.2952(8) -0.0086(7) 0.026(5) Uiso 1 calc R .
C2I C 0.3011(6) 0.3572(7) -0.0065(7) 0.028(3) Uani 1 d . .
H2I H 0.2859(6) 0.3991(7) -0.0411(7) 0.026(5) Uiso 1 calc R .
C2K C 0.3659(7) 0.3568(8) 0.0253(7) 0.038(3) Uani 1 d . .
H2K H 0.3941(7) 0.3991(8) 0.0131(7) 0.026(5) Uiso 1 calc R .
C2L C 0.3876(7) 0.2931(7) 0.0748(7) 0.032(3) Uani 1 d . .
H2L H 0.4311(7) 0.2917(7) 0.0954(7) 0.026(5) Uiso 1 calc R .
C2M C 0.3452(6) 0.2309(7) 0.0946(6) 0.023(3) Uani 1 d . .
H2M H 0.3605(6) 0.1877(7) 0.1277(6) 0.026(5) Uiso 1 calc R .
C3A C 0.1808(5) 0.0396(6) 0.2802(6) 0.015(2) Uani 1 d . .
C3B C 0.1372(6) -0.0277(8) 0.2834(6) 0.026(3) Uani 1 d . .
H3B H 0.1450(6) -0.0771(8) 0.2575(6) 0.026(5) Uiso 1 calc R .
C3C C 0.0836(6) -0.0216(8) 0.3241(7) 0.034(3) Uani 1 d . .
H3C H 0.0545(6) -0.0659(8) 0.3242(7) 0.026(5) Uiso 1 calc R .
C3D C 0.0727(6) 0.0507(8) 0.3651(7) 0.031(3) Uani 1 d . .
H3D H 0.0368(6) 0.0544(8) 0.3935(7) 0.026(5) Uiso 1 calc R .
C3E C 0.1156(6) 0.1180(8) 0.3637(6) 0.029(3) Uani 1 d . .
H3E H 0.1080(6) 0.1667(8) 0.3908(6) 0.026(5) Uiso 1 calc R .
C3F C 0.1697(5) 0.1121(8) 0.3219(7) 0.027(3) Uani 1 d U .
H3F H 0.1986(5) 0.1566(8) 0.3218(7) 0.026(5) Uiso 1 calc R .
C3G C 0.3223(5) 0.0220(6) 0.2869(6) 0.019(3) Uani 1 d . .
C3H C 0.3804(5) 0.0470(7) 0.2660(7) 0.022(3) Uani 1 d . .
H3H H 0.3823(5) 0.0761(7) 0.2195(7) 0.026(5) Uiso 1 calc R .
C3I C 0.4377(6) 0.0297(8) 0.3133(7) 0.028(3) Uani 1 d . .
H3I H 0.4775(6) 0.0477(8) 0.2984(7) 0.026(5) Uiso 1 calc R .
C3K C 0.4356(6) -0.0140(7) 0.3819(8) 0.033(3) Uani 1 d . .
H3K H 0.4738(6) -0.0263(7) 0.4134(8) 0.026(5) Uiso 1 calc R .
C3L C 0.3764(6) -0.0390(7) 0.4029(6) 0.025(3) Uani 1 d . .
H3L H 0.3743(6) -0.0684(7) 0.4493(6) 0.026(5) Uiso 1 calc R .
C3M C 0.3196(6) -0.0213(7) 0.3560(6) 0.024(3) Uani 1 d . .
H3M H 0.2795(6) -0.0385(7) 0.3709(6) 0.026(5) Uiso 1 calc R .
C4A C 0.1311(5) 0.8746(7) -0.1435(6) 0.018(3) Uani 1 d . .
C4B C 0.1230(7) 0.7950(8) -0.1725(8) 0.040(4) Uani 1 d . .
H4B H 0.1581(7) 0.7582(8) -0.1685(8) 0.026(5) Uiso 1 calc R .
C4C C 0.0638(7) 0.7693(9) -0.2070(9) 0.046(4) Uani 1 d . .
H4C H 0.0592(7) 0.7150(9) -0.2256(9) 0.026(5) Uiso 1 calc R .
C4D C 0.0118(7) 0.8209(8) -0.2147(8) 0.040(3) Uani 1 d . .
H4D H -0.0277(7) 0.8028(8) -0.2400(8) 0.026(5) Uiso 1 calc R .
C4E C 0.0177(7) 0.8998(9) -0.1853(8) 0.047(4) Uani 1 d . .
H4E H -0.0182(7) 0.9353(9) -0.1883(8) 0.026(5) Uiso 1 calc R .
C4F C 0.0786(6) 0.9267(8) -0.1504(7) 0.038(4) Uani 1 d . .
H4F H 0.0832(6) 0.9810(8) -0.1316(7) 0.026(5) Uiso 1 calc R .
C4G C 0.2539(5) 0.9445(6) -0.1825(6) 0.018(3) Uani 1 d . .
C4H C 0.3198(6) 0.9491(8) -0.1740(7) 0.031(3) Uani 1 d . .
H4H H 0.3422(6) 0.9314(8) -0.1272(7) 0.026(5) Uiso 1 calc R .
C4I C 0.3552(6) 0.9791(8) -0.2323(7) 0.034(3) Uani 1 d . .
H4I H 0.4005(6) 0.9814(8) -0.2249(7) 0.026(5) Uiso 1 calc R .
C4K C 0.3216(7) 1.0060(8) -0.3027(7) 0.036(3) Uani 1 d . .
H4K H 0.3442(7) 1.0272(8) -0.3424(7) 0.026(5) Uiso 1 calc R .
C4L C 0.2556(7) 1.0008(8) -0.3123(7) 0.035(3) Uani 1 d . .
H4L H 0.2329(7) 1.0192(8) -0.3587(7) 0.026(5) Uiso 1 calc R .
C4M C 0.2218(7) 0.9684(8) -0.2537(7) 0.034(3) Uani 1 d . .
H4M H 0.1767(7) 0.9625(8) -0.2622(7) 0.026(5) Uiso 1 calc R .
O3 O 0.2993(5) 1.2454(6) -0.2044(6) 0.052(3) Uiso 1 d . .
C31 C 0.3851(7) 1.1761(9) -0.1201(8) 0.042(3) Uiso 1 d . .
C32 C 0.3657(8) 1.2173(9) -0.1978(9) 0.050(4) Uiso 1 d . .
N3 N 0.4872(7) 0.6688(9) 0.3117(8) 0.067(4) Uiso 1 d . .
C41 C 0.4739(8) 0.7295(11) 0.2834(10) 0.061(4) Uiso 1 d . .
C42 C 0.4575(9) 0.8115(12) 0.2461(11) 0.075(5) Uiso 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'
I I -0.4742 1.8119 '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'
P P 0.1023 0.0942 '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'
N N 0.0061 0.0033 '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 Mo1 O4 177.5(3) . . y
O1 Mo1 Mo2 90.7(2) . . y
O4 Mo1 Mo2 91.5(2) . . y
O1 Mo1 P3 93.5(2) . 1_565 y
O4 Mo1 P3 87.5(2) . 1_565 y
Mo2 Mo1 P3 96.45(7) . 1_565 y
O1 Mo1 P1 93.2(2) . . y
O4 Mo1 P1 85.2(2) . . y
Mo2 Mo1 P1 99.68(7) . . y
P3 Mo1 P1 162.43(9) 1_565 . y
O1 Mo1 I1 86.7(2) . . y
O4 Mo1 I1 91.1(2) . . y
Mo2 Mo1 I1 177.25(5) . . y
P3 Mo1 I1 82.67(7) 1_565 . ?
P1 Mo1 I1 81.52(7) . . ?
O3 Mo2 O2 178.6(3) . . ?
O3 Mo2 Mo1 90.4(2) . . ?
O2 Mo2 Mo1 91.0(2) . . ?
O3 Mo2 P4 89.5(2) . . ?
O2 Mo2 P4 90.1(2) . . ?
Mo1 Mo2 P4 96.77(7) . . ?
O3 Mo2 P2 84.0(2) . 1_565 ?
O2 Mo2 P2 96.0(2) . 1_565 ?
Mo1 Mo2 P2 99.64(7) . 1_565 ?
P4 Mo2 P2 162.37(9) . 1_565 ?
O3 Mo2 I2 91.3(2) . . ?
O2 Mo2 I2 87.3(2) . . ?
Mo1 Mo2 I2 177.23(5) . . y
P4 Mo2 I2 81.11(7) . . ?
P2 Mo2 I2 82.67(7) 1_565 . ?
N2 P1 C1A 107.5(4) . . ?
N2 P1 C1G 102.0(5) . . ?
C1A P1 C1G 102.4(5) . . ?
N2 P1 Mo1 108.0(3) . . ?
C1A P1 Mo1 119.7(4) . . ?
C1G P1 Mo1 115.6(3) . . ?
N1 P2 C2G 101.8(4) . . ?
N1 P2 C2A 109.2(4) . . ?
C2G P2 C2A 99.3(5) . . ?
N1 P2 Mo2 107.8(3) . 1_545 ?
C2G P2 Mo2 117.0(3) . 1_545 ?
C2A P2 Mo2 120.1(3) . 1_545 ?
N1 P3 C3A 105.5(5) . . ?
N1 P3 C3G 101.9(4) . . ?
C3A P3 C3G 106.3(5) . . ?
N1 P3 Mo1 110.3(3) . 1_545 ?
C3A P3 Mo1 118.6(3) . 1_545 ?
C3G P3 Mo1 112.6(3) . 1_545 ?
N2 P4 C4G 102.1(5) . . ?
N2 P4 C4A 105.8(5) . . ?
C4G P4 C4A 105.3(5) . . ?
N2 P4 Mo2 108.9(3) . . ?
C4G P4 Mo2 114.8(3) . . ?
C4A P4 Mo2 118.5(4) . . ?
C1 O1 Mo1 118.2(7) . . ?
C1 O2 Mo2 117.0(7) . . ?
C2 O3 Mo2 118.7(7) . . ?
C2 O4 Mo1 116.7(7) . . ?
P3 N1 P2 119.0(5) . . ?
P1 N2 P4 120.3(5) . . ?
O1 C1 O2 122.9(10) . . ?
O1 C1 C3 117.0(10) . . ?
O2 C1 C3 120.1(10) . . ?
O3 C2 O4 122.7(11) . . ?
O3 C2 C4 120.8(11) . . ?
O4 C2 C4 116.5(10) . . ?
C1F C1A C1B 117.8(10) . . ?
C1F C1A P1 120.4(8) . . ?
C1B C1A P1 121.7(8) . . ?
C1C C1B C1A 119.6(11) . . ?
C1B C1C C1D 121.8(12) . . ?
C1E C1D C1C 118.6(12) . . ?
C1D C1E C1F 120.5(12) . . ?
C1A C1F C1E 121.7(11) . . ?
C1H C1G C1M 119.1(10) . . ?
C1H C1G P1 119.3(8) . . ?
C1M C1G P1 121.5(8) . . ?
C1G C1H C1I 120.7(11) . . ?
C1K C1I C1H 119.2(12) . . ?
C1I C1K C1L 120.5(11) . . ?
C1M C1L C1K 120.1(11) . . ?
C1L C1M C1G 120.3(11) . . ?
C2B C2A C2F 119.5(11) . . ?
C2B C2A P2 121.0(8) . . ?
C2F C2A P2 119.0(8) . . ?
C2A C2B C2C 119.4(11) . . ?
C2D C2C C2B 121.1(11) . . ?
C2C C2D C2E 119.8(11) . . ?
C2D C2E C2F 120.4(11) . . ?
C2E C2F C2A 119.7(11) . . ?
C2H C2G C2M 118.5(11) . . ?
C2H C2G P2 121.6(9) . . ?
C2M C2G P2 120.0(8) . . ?
C2G C2H C2I 121.7(12) . . ?
C2H C2I C2K 119.9(11) . . ?
C2L C2K C2I 119.0(12) . . ?
C2K C2L C2M 120.7(12) . . ?
C2L C2M C2G 120.1(10) . . ?
C3F C3A C3B 118.6(10) . . ?
C3F C3A P3 120.7(8) . . ?
C3B C3A P3 120.6(8) . . ?
C3C C3B C3A 121.1(11) . . ?
C3B C3C C3D 120.0(12) . . ?
C3C C3D C3E 120.1(12) . . ?
C3F C3E C3D 119.9(12) . . ?
C3E C3F C3A 120.3(11) . . ?
C3H C3G C3M 119.6(10) . . ?
C3H C3G P3 120.8(8) . . ?
C3M C3G P3 119.2(9) . . ?
C3G C3H C3I 120.7(11) . . ?
C3K C3I C3H 120.3(11) . . ?
C3L C3K C3I 118.8(11) . . ?
C3K C3L C3M 120.8(11) . . ?
C3G C3M C3L 119.9(11) . . ?
C4F C4A C4B 118.0(11) . . ?
C4F C4A P4 120.8(9) . . ?
C4B C4A P4 121.2(9) . . ?
C4C C4B C4A 120.6(13) . . ?
C4D C4C C4B 121.6(13) . . ?
C4C C4D C4E 119.5(12) . . ?
C4D C4E C4F 119.1(13) . . ?
C4A C4F C4E 121.2(12) . . ?
C4H C4G C4M 117.7(12) . . ?
C4H C4G P4 119.6(9) . . ?
C4M C4G P4 122.6(9) . . ?
C4G C4H C4I 122.5(12) . . ?
C4H C4I C4K 118.8(12) . . ?
C4L C4K C4I 119.3(12) . . ?
C4K C4L C4M 120.4(12) . . ?
C4L C4M C4G 121.1(12) . . ?
O3 C32 C31 111.9(13) . . ?
N3 C41 C42 178.6(19) . . ?
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
I1 Mo1 3.1811(12) . y
Mo1 O1 2.093(7) . y
Mo1 O4 2.094(7) . y
Mo1 Mo2 2.1643(13) . y
Mo1 P3 2.566(3) 1_565 y
Mo1 P1 2.577(3) . y
Mo2 O3 2.095(8) . y
Mo2 O2 2.112(8) . y
Mo2 P4 2.585(3) . y
Mo2 P2 2.588(3) 1_565 y
Mo2 I2 3.1719(13) . y
P1 N2 1.678(9) . y
P1 C1A 1.811(10) . ?
P1 C1G 1.822(10) . ?
P2 N1 1.686(9) . y
P2 C2G 1.823(10) . ?
P2 C2A 1.841(11) . ?
P2 Mo2 2.589(3) 1_545 ?
P3 N1 1.673(9) . y
P3 C3A 1.813(11) . ?
P3 C3G 1.837(10) . ?
P3 Mo1 2.566(3) 1_545 ?
P4 N2 1.680(8) . y
P4 C4G 1.827(12) . ?
P4 C4A 1.830(11) . ?
O1 C1 1.268(13) . ?
O2 C1 1.269(13) . ?
O3 C2 1.252(13) . ?
O4 C2 1.293(13) . ?
C1 C3 1.49(2) . ?
C2 C4 1.50(2) . ?
C1A C1F 1.38(2) . ?
C1A C1B 1.41(2) . ?
C1B C1C 1.37(2) . ?
C1C C1D 1.39(2) . ?
C1D C1E 1.37(2) . ?
C1E C1F 1.38(2) . ?
C1G C1H 1.38(2) . ?
C1G C1M 1.40(2) . ?
C1H C1I 1.39(2) . ?
C1I C1K 1.38(2) . ?
C1K C1L 1.38(2) . ?
C1L C1M 1.37(2) . ?
C2A C2B 1.35(2) . ?
C2A C2F 1.40(2) . ?
C2B C2C 1.38(2) . ?
C2C C2D 1.35(2) . ?
C2D C2E 1.36(2) . ?
C2E C2F 1.36(2) . ?
C2G C2H 1.36(2) . ?
C2G C2M 1.40(2) . ?
C2H C2I 1.39(2) . ?
C2I C2K 1.39(2) . ?
C2K C2L 1.37(2) . ?
C2L C2M 1.39(2) . ?
C3A C3F 1.40(2) . ?
C3A C3B 1.41(2) . ?
C3B C3C 1.37(2) . ?
C3C C3D 1.38(2) . ?
C3D C3E 1.40(2) . ?
C3E C3F 1.39(2) . ?
C3G C3H 1.34(2) . ?
C3G C3M 1.38(2) . ?
C3H C3I 1.39(2) . ?
C3I C3K 1.38(2) . ?
C3K C3L 1.37(2) . ?
C3L C3M 1.38(2) . ?
C4A C4F 1.36(2) . ?
C4A C4B 1.37(2) . ?
C4B C4C 1.36(2) . ?
C4C C4D 1.35(2) . ?
C4D C4E 1.36(2) . ?
C4E C4F 1.40(2) . ?
C4G C4H 1.35(2) . ?
C4G C4M 1.39(2) . ?
C4H C4I 1.38(2) . ?
C4I C4K 1.40(2) . ?
C4K C4L 1.35(2) . ?
C4L C4M 1.38(2) . ?
O3 C32 1.43(2) . ?
C31 C32 1.51(2) . ?
N3 C41 1.11(2) . ?
C41 C42 1.49(2) . ?
