#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:58:19 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179736 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/32/7003293.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_7003293
loop_
_publ_author_name
'Brown, Douglas J.'
'Chisholm, Malcolm H.'
'Gallucci, Judith C.'
_publ_section_title
;
 Amidinate--carboxylate complexes of dimolybdenum and ditungsten:
 M2(O2CR)2((NiPr)2CR′)2. Preparations, molecular and electronic
 structures and reactions
;
_journal_issue                   12
_journal_name_full               'Dalton Transactions'
_journal_page_first              1615
_journal_page_last               1624
_journal_paper_doi               10.1039/b715258b
_journal_year                    2008
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C46 H52 Mo2 N4 O4, C4 H8 O1'
_chemical_formula_sum            'C50 H60 Mo2 N4 O5'
_chemical_formula_weight         988.9
_chemical_name_common            Chisholm1390
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2007-02-03T16:46:50-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 97.633(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.482(2)
_cell_length_b                   9.609(1)
_cell_length_c                   22.527(3)
_cell_measurement_reflns_used    11211
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      1.018
_cell_measurement_wavelength     0.71073
_cell_volume                     4608.8(9)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_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       'one degree phi and omega scans'
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      -0.346688E-1
_diffrn_orient_matrix_UB_12      -0.546249E-1
_diffrn_orient_matrix_UB_13      -0.232059E-1
_diffrn_orient_matrix_UB_21      0.27157E-1
_diffrn_orient_matrix_UB_22      -0.175401E-1
_diffrn_orient_matrix_UB_23      -0.319967E-1
_diffrn_orient_matrix_UB_31      0.163238E-1
_diffrn_orient_matrix_UB_32      -0.86833E-1
_diffrn_orient_matrix_UB_33      0.210616E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.083
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            82643
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.33
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    0.595
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular plate'
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.085
_refine_diff_density_min         -0.598
_refine_diff_density_rms         0.11
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     560
_refine_ls_number_reflns         10574
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0968
_refine_ls_R_factor_gt           0.0528
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0674P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1141
_refine_ls_wR_factor_ref         0.1287
_reflns_number_gt                6867
_reflns_number_total             10574
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b715258b.txt
_cod_data_source_block           Chisholm1390
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7003293
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_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 0.242263(15) 0.29898(3) 0.030868(14) 0.02343(10) Uani 1 1 d . . .
Mo2 Mo 0.211675(14) 0.12650(3) 0.078945(14) 0.02294(10) Uani 1 1 d . . .
O1 O 0.19427(11) 0.2215(3) -0.05057(11) 0.0262(6) Uani 1 1 d . . .
O2 O 0.16527(11) 0.0395(3) -0.00010(11) 0.0256(6) Uani 1 1 d . . .
O3 O 0.31974(11) 0.1854(3) 0.00883(11) 0.0244(6) Uani 1 1 d . . .
O4 O 0.29027(11) 0.0094(3) 0.06219(10) 0.0245(6) Uani 1 1 d . . .
N1 N 0.29493(15) 0.4582(3) 0.08383(14) 0.0302(8) Uani 1 1 d . . .
N2 N 0.19497(15) 0.4870(3) 0.05180(15) 0.0313(8) Uani 1 1 d . . .
N3 N 0.22369(14) 0.1638(3) 0.17429(14) 0.0275(7) Uani 1 1 d . . .
N4 N 0.12922(14) 0.1585(3) 0.12272(14) 0.0274(7) Uani 1 1 d . . .
C1 C 0.0066(2) 0.2637(6) -0.22811(19) 0.0483(13) Uani 1 1 d . . .
H1 H -0.0231 0.3133 -0.2552 0.058 Uiso 1 1 calc R . .
C2 C 0.0391(2) 0.3326(5) -0.1778(2) 0.0468(12) Uani 1 1 d . . .
H2 H 0.0314 0.4285 -0.1714 0.056 Uiso 1 1 calc R . .
C3 C 0.0174(2) 0.1286(6) -0.23771(18) 0.0462(13) Uani 1 1 d . . .
H3 H -0.0046 0.0843 -0.272 0.055 Uiso 1 1 calc R . .
C4 C 0.08138(18) 0.2623(5) -0.13854(18) 0.0353(10) Uani 1 1 d . . .
H4 H 0.1029 0.3104 -0.1051 0.042 Uiso 1 1 calc R . .
C5 C 0.06078(18) 0.0501(5) -0.19799(18) 0.0377(11) Uani 1 1 d . . .
C6 C 0.09412(17) 0.1184(4) -0.14631(17) 0.0318(10) Uani 1 1 d . . .
C7 C 0.0710(2) -0.0895(5) -0.20786(18) 0.0432(12) Uani 1 1 d . . .
H7 H 0.0487 -0.1329 -0.2422 0.052 Uiso 1 1 calc R . .
C8 C 0.13598(16) 0.0380(4) -0.10587(16) 0.0282(9) Uani 1 1 d . . .
C9 C 0.11296(19) -0.1690(5) -0.16909(18) 0.0364(10) Uani 1 1 d . . .
C10 C 0.14627(18) -0.1046(4) -0.11657(17) 0.0317(10) Uani 1 1 d . . .
C11 C 0.1244(2) -0.3124(5) -0.1803(2) 0.0456(12) Uani 1 1 d . . .
H11 H 0.1021 -0.3561 -0.2145 0.055 Uiso 1 1 calc R . .
C12 C 0.19004(19) -0.1879(4) -0.07914(18) 0.0351(10) Uani 1 1 d . . .
H12 H 0.213 -0.1475 -0.0444 0.042 Uiso 1 1 calc R . .
C13 C 0.1662(2) -0.3871(5) -0.1432(2) 0.0489(12) Uani 1 1 d . . .
H13 H 0.1732 -0.4823 -0.1516 0.059 Uiso 1 1 calc R . .
C14 C 0.1997(2) -0.3245(5) -0.0920(2) 0.0442(12) Uani 1 1 d . . .
H14 H 0.2292 -0.3778 -0.0662 0.053 Uiso 1 1 calc R . .
C15 C 0.16684(16) 0.1044(4) -0.04927(16) 0.0265(9) Uani 1 1 d . . .
C16 C 0.3792(2) -0.1078(5) -0.17700(19) 0.0432(11) Uani 1 1 d . . .
H16 H 0.3795 -0.1265 -0.2184 0.052 Uiso 1 1 calc R . .
C17 C 0.3301(2) -0.0297(5) -0.15809(19) 0.0419(11) Uani 1 1 d . . .
H17 H 0.2972 0.0036 -0.187 0.05 Uiso 1 1 calc R . .
C18 C 0.4256(2) -0.1558(5) -0.13657(19) 0.0390(11) Uani 1 1 d . . .
H18 H 0.4587 -0.2078 -0.15 0.047 Uiso 1 1 calc R . .
C19 C 0.32878(18) -0.0007(4) -0.09891(17) 0.0336(10) Uani 1 1 d . . .
H19 H 0.2953 0.0527 -0.0871 0.04 Uiso 1 1 calc R . .
C20 C 0.42683(18) -0.1310(4) -0.07424(17) 0.0313(9) Uani 1 1 d . . .
C21 C 0.37728(17) -0.0502(4) -0.05478(17) 0.0282(9) Uani 1 1 d . . .
C22 C 0.47412(19) -0.1851(4) -0.03174(19) 0.0333(10) Uani 1 1 d . . .
H22 H 0.5072 -0.2374 -0.045 0.04 Uiso 1 1 calc R . .
C23 C 0.37737(17) -0.0283(4) 0.00722(17) 0.0261(9) Uani 1 1 d . . .
C24 C 0.47402(18) -0.1646(4) 0.02919(19) 0.0322(10) Uani 1 1 d . . .
C25 C 0.42453(17) -0.0865(4) 0.05008(17) 0.0271(9) Uani 1 1 d . . .
C26 C 0.52287(19) -0.2191(4) 0.0723(2) 0.0388(10) Uani 1 1 d . . .
H26 H 0.5565 -0.269 0.0588 0.047 Uiso 1 1 calc R . .
C27 C 0.42573(18) -0.0690(4) 0.11281(18) 0.0337(10) Uani 1 1 d . . .
H27 H 0.393 -0.0184 0.1275 0.04 Uiso 1 1 calc R . .
C28 C 0.52220(19) -0.2011(4) 0.13182(19) 0.0400(11) Uani 1 1 d . . .
H28 H 0.5545 -0.2403 0.1597 0.048 Uiso 1 1 calc R . .
C29 C 0.4732(2) -0.1238(4) 0.15238(19) 0.0422(11) Uani 1 1 d . . .
H29 H 0.4733 -0.1098 0.1941 0.051 Uiso 1 1 calc R . .
C30 C 0.32691(17) 0.0594(4) 0.02740(16) 0.0267(9) Uani 1 1 d . . .
C31 C 0.06774(19) -0.0567(4) 0.1062(2) 0.0414(11) Uani 1 1 d . . .
H31A H 0.0914 -0.0804 0.0732 0.062 Uiso 1 1 calc R . .
H31B H 0.0251 -0.0944 0.0978 0.062 Uiso 1 1 calc R . .
H31C H 0.0888 -0.0968 0.1436 0.062 Uiso 1 1 calc R . .
C32 C 0.02749(19) 0.1654(5) 0.0581(2) 0.0444(12) Uani 1 1 d . . .
H32A H 0.0262 0.2666 0.0632 0.067 Uiso 1 1 calc R . .
H32B H -0.0154 0.1282 0.053 0.067 Uiso 1 1 calc R . .
H32C H 0.0475 0.1433 0.0226 0.067 Uiso 1 1 calc R . .
C33 C 0.06459(18) 0.1010(4) 0.11234(19) 0.0356(10) Uani 1 1 d . . .
H33 H 0.0432 0.1231 0.148 0.043 Uiso 1 1 calc R . .
C34 C 0.33195(18) 0.1175(4) 0.21353(17) 0.0377(10) Uani 1 1 d . . .
H34A H 0.3249 0.0183 0.205 0.057 Uiso 1 1 calc R . .
H34B H 0.3638 0.1282 0.2486 0.057 Uiso 1 1 calc R . .
H34C H 0.3465 0.1627 0.1789 0.057 Uiso 1 1 calc R . .
C35 C 0.2799(2) 0.3380(4) 0.2400(2) 0.0462(12) Uani 1 1 d . . .
H35A H 0.2899 0.387 0.2043 0.069 Uiso 1 1 calc R . .
H35B H 0.3145 0.3499 0.2726 0.069 Uiso 1 1 calc R . .
H35C H 0.2412 0.3763 0.2521 0.069 Uiso 1 1 calc R . .
C36 C 0.27084(18) 0.1846(4) 0.22602(16) 0.0304(9) Uani 1 1 d . . .
H36 H 0.2565 0.1374 0.2614 0.036 Uiso 1 1 calc R . .
C37 C 0.16264(19) 0.1623(4) 0.17679(18) 0.0308(9) Uani 1 1 d . . .
C38 C 0.1330(2) 0.1643(5) 0.23442(18) 0.0397(11) Uani 1 1 d . . .
H38A H 0.1003 0.2361 0.2317 0.06 Uiso 1 1 calc R . .
H38B H 0.1652 0.1849 0.2683 0.06 Uiso 1 1 calc R . .
H38C H 0.1142 0.0732 0.2404 0.06 Uiso 1 1 calc R . .
C39 C 0.09109(18) 0.4960(5) -0.00659(19) 0.0447(12) Uani 1 1 d . . .
H39A H 0.1101 0.5097 -0.0433 0.067 Uiso 1 1 calc R . .
H39B H 0.0502 0.5427 -0.0105 0.067 Uiso 1 1 calc R . .
H39C H 0.0854 0.3962 0 0.067 Uiso 1 1 calc R . .
C40 C 0.1050(2) 0.5434(5) 0.1050(2) 0.0547(13) Uani 1 1 d . . .
H40A H 0.0997 0.4448 0.1144 0.082 Uiso 1 1 calc R . .
H40B H 0.0641 0.5899 0.1009 0.082 Uiso 1 1 calc R . .
H40C H 0.1333 0.5872 0.1374 0.082 Uiso 1 1 calc R . .
C41 C 0.13325(19) 0.5563(4) 0.04559(19) 0.0380(10) Uani 1 1 d . . .
H41 H 0.1395 0.6573 0.0375 0.046 Uiso 1 1 calc R . .
C42 C 0.3789(2) 0.5324(5) 0.02681(19) 0.0470(12) Uani 1 1 d . . .
H42A H 0.371 0.4491 0.0019 0.071 Uiso 1 1 calc R . .
H42B H 0.4237 0.5561 0.0306 0.071 Uiso 1 1 calc R . .
H42C H 0.354 0.6102 0.0082 0.071 Uiso 1 1 calc R . .
C43 C 0.40328(19) 0.3960(5) 0.12095(19) 0.0411(11) Uani 1 1 d . . .
H43A H 0.3924 0.3823 0.1614 0.062 Uiso 1 1 calc R . .
H43B H 0.447 0.4274 0.1234 0.062 Uiso 1 1 calc R . .
H43C H 0.3983 0.308 0.0988 0.062 Uiso 1 1 calc R . .
C44 C 0.36044(18) 0.5044(5) 0.08882(17) 0.0367(10) Uani 1 1 d . . .
H44 H 0.3649 0.5927 0.1125 0.044 Uiso 1 1 calc R . .
C45 C 0.2470(2) 0.5485(4) 0.07590(17) 0.0338(10) Uani 1 1 d . . .
C46 C 0.2527(2) 0.6992(4) 0.0930(2) 0.0434(11) Uani 1 1 d . . .
H46A H 0.2527 0.756 0.0569 0.065 Uiso 1 1 calc R . .
H46B H 0.292 0.7142 0.1197 0.065 Uiso 1 1 calc R . .
H46C H 0.2171 0.726 0.1136 0.065 Uiso 1 1 calc R . .
O5 O 0.2328(2) -0.0439(5) -0.27853(17) 0.0919(14) Uani 1 1 d . . .
C48 C 0.2177(3) -0.1658(6) -0.3119(2) 0.0669(16) Uani 1 1 d . . .
H48A H 0.1889 -0.2252 -0.2922 0.08 Uiso 1 1 calc R . .
H48B H 0.2561 -0.2197 -0.3163 0.08 Uiso 1 1 calc R . .
C49 C 0.1864(2) -0.1170(5) -0.3721(2) 0.0455(12) Uani 1 1 d . . .
H49A H 0.1576 -0.1885 -0.3918 0.055 Uiso 1 1 calc R . .
H49B H 0.2178 -0.0924 -0.3989 0.055 Uiso 1 1 calc R . .
C50 C 0.1507(2) 0.0109(5) -0.3553(2) 0.0569(13) Uani 1 1 d . . .
H50A H 0.1475 0.0816 -0.3875 0.068 Uiso 1 1 calc R . .
H50B H 0.108 -0.0142 -0.3471 0.068 Uiso 1 1 calc R . .
C51 C 0.1904(3) 0.0629(6) -0.2994(2) 0.0640(16) Uani 1 1 d . . .
H51A H 0.2138 0.1474 -0.3085 0.077 Uiso 1 1 calc R . .
H51B H 0.1635 0.0866 -0.2685 0.077 Uiso 1 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 0 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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
O3 Mo1 O1 85.55(9) . . ?
O3 Mo1 Mo2 91.35(7) . . ?
O1 Mo1 Mo2 91.11(7) . . ?
O3 Mo1 N2 153.76(11) . . ?
O1 Mo1 N2 107.16(11) . . ?
Mo2 Mo1 N2 110.77(8) . . ?
O3 Mo1 N1 97.17(11) . . ?
O1 Mo1 N1 152.26(11) . . ?
Mo2 Mo1 N1 116.32(8) . . ?
N2 Mo1 N1 60.92(12) . . ?
O3 Mo1 C45 125.39(11) . . ?
O1 Mo1 C45 130.68(11) . . ?
Mo2 Mo1 C45 121.17(8) . . ?
N2 Mo1 C45 30.34(12) . . ?
N1 Mo1 C45 30.98(12) . . ?
O2 Mo2 O4 86.37(9) . . ?
O2 Mo2 Mo1 91.29(7) . . ?
O4 Mo2 Mo1 90.91(7) . . ?
O2 Mo2 N3 153.13(10) . . ?
O4 Mo2 N3 105.93(10) . . ?
Mo1 Mo2 N3 111.86(8) . . ?
O2 Mo2 N4 96.79(10) . . ?
O4 Mo2 N4 152.11(11) . . ?
Mo1 Mo2 N4 116.62(8) . . ?
N3 Mo2 N4 61.27(11) . . ?
O2 Mo2 C37 125.10(11) . . ?
O4 Mo2 C37 130.59(11) . . ?
Mo1 Mo2 C37 121.14(9) . . ?
N3 Mo2 C37 30.61(11) . . ?
N4 Mo2 C37 30.87(12) . . ?
C15 O1 Mo1 117.7(2) . . ?
C15 O2 Mo2 118.6(2) . . ?
C30 O3 Mo1 118.5(2) . . ?
C30 O4 Mo2 118.9(2) . . ?
C45 N1 C44 121.8(3) . . ?
C45 N1 Mo1 92.8(2) . . ?
C44 N1 Mo1 133.0(3) . . ?
C45 N2 C41 122.7(3) . . ?
C45 N2 Mo1 93.9(2) . . ?
C41 N2 Mo1 143.3(3) . . ?
C37 N3 C36 123.9(3) . . ?
C37 N3 Mo2 93.0(2) . . ?
C36 N3 Mo2 143.1(2) . . ?
C37 N4 C33 122.3(3) . . ?
C37 N4 Mo2 92.7(2) . . ?
C33 N4 Mo2 133.0(2) . . ?
C3 C1 C2 120.3(4) . . ?
C3 C1 H1 119.8 . . ?
C2 C1 H1 119.8 . . ?
C4 C2 C1 120.3(5) . . ?
C4 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C1 C3 C5 121.7(4) . . ?
C1 C3 H3 119.1 . . ?
C5 C3 H3 119.1 . . ?
C2 C4 C6 121.7(4) . . ?
C2 C4 H4 119.2 . . ?
C6 C4 H4 119.2 . . ?
C7 C5 C3 121.3(4) . . ?
C7 C5 C6 120.0(4) . . ?
C3 C5 C6 118.7(4) . . ?
C8 C6 C4 124.4(4) . . ?
C8 C6 C5 118.3(4) . . ?
C4 C6 C5 117.3(4) . . ?
C5 C7 C9 122.2(4) . . ?
C5 C7 H7 118.9 . . ?
C9 C7 H7 118.9 . . ?
C10 C8 C6 121.2(4) . . ?
C10 C8 C15 119.8(3) . . ?
C6 C8 C15 118.9(4) . . ?
C7 C9 C11 121.9(4) . . ?
C7 C9 C10 119.3(4) . . ?
C11 C9 C10 118.8(4) . . ?
C8 C10 C12 123.3(4) . . ?
C8 C10 C9 119.0(4) . . ?
C12 C10 C9 117.6(4) . . ?
C13 C11 C9 121.3(4) . . ?
C13 C11 H11 119.4 . . ?
C9 C11 H11 119.4 . . ?
C14 C12 C10 121.4(4) . . ?
C14 C12 H12 119.3 . . ?
C10 C12 H12 119.3 . . ?
C11 C13 C14 120.4(4) . . ?
C11 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C12 C14 C13 120.5(5) . . ?
C12 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
O1 C15 O2 121.2(3) . . ?
O1 C15 C8 120.7(3) . . ?
O2 C15 C8 118.0(3) . . ?
C18 C16 C17 119.9(4) . . ?
C18 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C19 C17 C16 121.2(4) . . ?
C19 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
C16 C18 C20 121.9(4) . . ?
C16 C18 H18 119 . . ?
C20 C18 H18 119 . . ?
C17 C19 C21 120.4(4) . . ?
C17 C19 H19 119.8 . . ?
C21 C19 H19 119.8 . . ?
C22 C20 C18 122.0(4) . . ?
C22 C20 C21 119.5(4) . . ?
C18 C20 C21 118.4(4) . . ?
C23 C21 C19 123.1(3) . . ?
C23 C21 C20 118.7(3) . . ?
C19 C21 C20 118.2(3) . . ?
C24 C22 C20 121.8(4) . . ?
C24 C22 H22 119.1 . . ?
C20 C22 H22 119.1 . . ?
C21 C23 C25 121.4(3) . . ?
C21 C23 C30 118.7(3) . . ?
C25 C23 C30 119.9(3) . . ?
C22 C24 C25 119.9(4) . . ?
C22 C24 C26 121.5(4) . . ?
C25 C24 C26 118.6(4) . . ?
C23 C25 C27 123.2(3) . . ?
C23 C25 C24 118.5(3) . . ?
C27 C25 C24 118.2(4) . . ?
C28 C26 C24 121.5(4) . . ?
C28 C26 H26 119.3 . . ?
C24 C26 H26 119.3 . . ?
C29 C27 C25 121.1(4) . . ?
C29 C27 H27 119.4 . . ?
C25 C27 H27 119.4 . . ?
C26 C28 C29 119.8(4) . . ?
C26 C28 H28 120.1 . . ?
C29 C28 H28 120.1 . . ?
C27 C29 C28 120.7(4) . . ?
C27 C29 H29 119.6 . . ?
C28 C29 H29 119.6 . . ?
O4 C30 O3 119.9(3) . . ?
O4 C30 C23 120.5(3) . . ?
O3 C30 C23 119.6(3) . . ?
C33 C31 H31A 109.5 . . ?
C33 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C33 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 H32A 109.5 . . ?
C33 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C33 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N4 C33 C32 111.1(3) . . ?
N4 C33 C31 109.4(3) . . ?
C32 C33 C31 111.1(4) . . ?
N4 C33 H33 108.4 . . ?
C32 C33 H33 108.4 . . ?
C31 C33 H33 108.4 . . ?
C36 C34 H34A 109.5 . . ?
C36 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C36 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 H35A 109.5 . . ?
C36 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C36 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N3 C36 C35 110.9(3) . . ?
N3 C36 C34 108.7(3) . . ?
C35 C36 C34 111.1(3) . . ?
N3 C36 H36 108.7 . . ?
C35 C36 H36 108.7 . . ?
C34 C36 H36 108.7 . . ?
N3 C37 N4 112.3(3) . . ?
N3 C37 C38 124.6(4) . . ?
N4 C37 C38 123.1(4) . . ?
N3 C37 Mo2 56.38(19) . . ?
N4 C37 Mo2 56.47(19) . . ?
C38 C37 Mo2 173.0(3) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C41 C39 H39A 109.5 . . ?
C41 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C41 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 H40A 109.5 . . ?
C41 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C41 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
N2 C41 C39 110.0(3) . . ?
N2 C41 C40 109.5(3) . . ?
C39 C41 C40 112.4(4) . . ?
N2 C41 H41 108.3 . . ?
C39 C41 H41 108.3 . . ?
C40 C41 H41 108.3 . . ?
C44 C42 H42A 109.5 . . ?
C44 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C44 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 H43A 109.5 . . ?
C44 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C44 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
N1 C44 C43 110.2(3) . . ?
N1 C44 C42 110.3(3) . . ?
C43 C44 C42 110.2(4) . . ?
N1 C44 H44 108.7 . . ?
C43 C44 H44 108.7 . . ?
C42 C44 H44 108.7 . . ?
N2 C45 N1 111.1(3) . . ?
N2 C45 C46 125.1(4) . . ?
N1 C45 C46 123.8(4) . . ?
N2 C45 Mo1 55.8(2) . . ?
N1 C45 Mo1 56.3(2) . . ?
C46 C45 Mo1 171.3(3) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C48 O5 C51 109.6(4) . . ?
O5 C48 C49 105.4(4) . . ?
O5 C48 H48A 110.7 . . ?
C49 C48 H48A 110.7 . . ?
O5 C48 H48B 110.7 . . ?
C49 C48 H48B 110.7 . . ?
H48A C48 H48B 108.8 . . ?
C48 C49 C50 101.9(4) . . ?
C48 C49 H49A 111.4 . . ?
C50 C49 H49A 111.4 . . ?
C48 C49 H49B 111.4 . . ?
C50 C49 H49B 111.4 . . ?
H49A C49 H49B 109.2 . . ?
C51 C50 C49 103.1(4) . . ?
C51 C50 H50A 111.1 . . ?
C49 C50 H50A 111.1 . . ?
C51 C50 H50B 111.1 . . ?
C49 C50 H50B 111.1 . . ?
H50A C50 H50B 109.1 . . ?
O5 C51 C50 107.8(4) . . ?
O5 C51 H51A 110.2 . . ?
C50 C51 H51A 110.2 . . ?
O5 C51 H51B 110.2 . . ?
C50 C51 H51B 110.2 . . ?
H51A C51 H51B 108.5 . . ?
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
Mo1 O3 2.104(2) . ?
Mo1 O1 2.117(2) . ?
Mo1 Mo2 2.1308(4) . ?
Mo1 N2 2.156(3) . ?
Mo1 N1 2.165(3) . ?
Mo1 C45 2.600(4) . ?
Mo2 O2 2.096(2) . ?
Mo2 O4 2.105(2) . ?
Mo2 N3 2.159(3) . ?
Mo2 N4 2.161(3) . ?
Mo2 C37 2.589(4) . ?
O1 C15 1.272(4) . ?
O2 C15 1.276(4) . ?
O3 C30 1.284(4) . ?
O4 C30 1.276(4) . ?
N1 C45 1.340(5) . ?
N1 C44 1.466(5) . ?
N2 C45 1.316(5) . ?
N2 C41 1.473(5) . ?
N3 C37 1.320(5) . ?
N3 C36 1.453(5) . ?
N4 C37 1.330(5) . ?
N4 C33 1.484(5) . ?
C1 C3 1.341(7) . ?
C1 C2 1.415(6) . ?
C1 H1 0.95 . ?
C2 C4 1.360(6) . ?
C2 H2 0.95 . ?
C3 C5 1.420(6) . ?
C3 H3 0.95 . ?
C4 C6 1.425(6) . ?
C4 H4 0.95 . ?
C5 C7 1.382(6) . ?
C5 C6 1.442(5) . ?
C6 C8 1.421(5) . ?
C7 C9 1.396(6) . ?
C7 H7 0.95 . ?
C8 C10 1.414(5) . ?
C8 C15 1.500(5) . ?
C9 C11 1.428(6) . ?
C9 C10 1.438(5) . ?
C10 C12 1.423(6) . ?
C11 C13 1.350(6) . ?
C11 H11 0.95 . ?
C12 C14 1.366(6) . ?
C12 H12 0.95 . ?
C13 C14 1.410(6) . ?
C13 H13 0.95 . ?
C14 H14 0.95 . ?
C16 C18 1.339(6) . ?
C16 C17 1.407(6) . ?
C16 H16 0.95 . ?
C17 C19 1.366(5) . ?
C17 H17 0.95 . ?
C18 C20 1.421(5) . ?
C18 H18 0.95 . ?
C19 C21 1.423(5) . ?
C19 H19 0.95 . ?
C20 C22 1.400(5) . ?
C20 C21 1.433(5) . ?
C21 C23 1.412(5) . ?
C22 C24 1.387(6) . ?
C22 H22 0.95 . ?
C23 C25 1.418(5) . ?
C23 C30 1.490(5) . ?
C24 C25 1.431(5) . ?
C24 C26 1.431(6) . ?
C25 C27 1.420(5) . ?
C26 C28 1.354(6) . ?
C26 H26 0.95 . ?
C27 C29 1.367(5) . ?
C27 H27 0.95 . ?
C28 C29 1.416(6) . ?
C28 H28 0.95 . ?
C29 H29 0.95 . ?
C31 C33 1.524(6) . ?
C31 H31A 0.98 . ?
C31 H31B 0.98 . ?
C31 H31C 0.98 . ?
C32 C33 1.501(5) . ?
C32 H32A 0.98 . ?
C32 H32B 0.98 . ?
C32 H32C 0.98 . ?
C33 H33 1 . ?
C34 C36 1.522(5) . ?
C34 H34A 0.98 . ?
C34 H34B 0.98 . ?
C34 H34C 0.98 . ?
C35 C36 1.515(5) . ?
C35 H35A 0.98 . ?
C35 H35B 0.98 . ?
C35 H35C 0.98 . ?
C36 H36 1 . ?
C37 C38 1.521(5) . ?
C38 H38A 0.98 . ?
C38 H38B 0.98 . ?
C38 H38C 0.98 . ?
C39 C41 1.502(6) . ?
C39 H39A 0.98 . ?
C39 H39B 0.98 . ?
C39 H39C 0.98 . ?
C40 C41 1.546(6) . ?
C40 H40A 0.98 . ?
C40 H40B 0.98 . ?
C40 H40C 0.98 . ?
C41 H41 1 . ?
C42 C44 1.526(5) . ?
C42 H42A 0.98 . ?
C42 H42B 0.98 . ?
C42 H42C 0.98 . ?
C43 C44 1.509(6) . ?
C43 H43A 0.98 . ?
C43 H43B 0.98 . ?
C43 H43C 0.98 . ?
C44 H44 1 . ?
C45 C46 1.499(5) . ?
C46 H46A 0.98 . ?
C46 H46B 0.98 . ?
C46 H46C 0.98 . ?
O5 C48 1.407(6) . ?
O5 C51 1.410(6) . ?
C48 C49 1.505(6) . ?
C48 H48A 0.99 . ?
C48 H48B 0.99 . ?
C49 C50 1.523(6) . ?
C49 H49A 0.99 . ?
C49 H49B 0.99 . ?
C50 C51 1.509(6) . ?
C50 H50A 0.99 . ?
C50 H50B 0.99 . ?
C51 H51A 0.99 . ?
C51 H51B 0.99 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3 Mo1 Mo2 O2 -83.91(9) . . . . ?
O1 Mo1 Mo2 O2 1.67(9) . . . . ?
N2 Mo1 Mo2 O2 110.51(12) . . . . ?
N1 Mo1 Mo2 O2 177.41(11) . . . . ?
C45 Mo1 Mo2 O2 142.36(13) . . . . ?
O3 Mo1 Mo2 O4 2.48(9) . . . . ?
O1 Mo1 Mo2 O4 88.06(9) . . . . ?
N2 Mo1 Mo2 O4 -163.10(12) . . . . ?
N1 Mo1 Mo2 O4 -96.20(11) . . . . ?
C45 Mo1 Mo2 O4 -131.25(13) . . . . ?
O3 Mo1 Mo2 N3 110.06(11) . . . . ?
O1 Mo1 Mo2 N3 -164.36(11) . . . . ?
N2 Mo1 Mo2 N3 -55.52(13) . . . . ?
N1 Mo1 Mo2 N3 11.39(13) . . . . ?
C45 Mo1 Mo2 N3 -23.66(14) . . . . ?
O3 Mo1 Mo2 N4 177.83(11) . . . . ?
O1 Mo1 Mo2 N4 -96.59(11) . . . . ?
N2 Mo1 Mo2 N4 12.25(14) . . . . ?
N1 Mo1 Mo2 N4 79.16(13) . . . . ?
C45 Mo1 Mo2 N4 44.11(14) . . . . ?
O3 Mo1 Mo2 C37 142.82(13) . . . . ?
O1 Mo1 Mo2 C37 -131.61(13) . . . . ?
N2 Mo1 Mo2 C37 -22.76(15) . . . . ?
N1 Mo1 Mo2 C37 44.14(14) . . . . ?
C45 Mo1 Mo2 C37 9.09(16) . . . . ?
O3 Mo1 O1 C15 87.8(2) . . . . ?
Mo2 Mo1 O1 C15 -3.5(2) . . . . ?
N2 Mo1 O1 C15 -115.6(2) . . . . ?
N1 Mo1 O1 C15 -175.2(3) . . . . ?
C45 Mo1 O1 C15 -137.8(2) . . . . ?
O4 Mo2 O2 C15 -91.4(2) . . . . ?
Mo1 Mo2 O2 C15 -0.6(2) . . . . ?
N3 Mo2 O2 C15 149.7(3) . . . . ?
N4 Mo2 O2 C15 116.4(3) . . . . ?
C37 Mo2 O2 C15 129.8(2) . . . . ?
O1 Mo1 O3 C30 -90.7(3) . . . . ?
Mo2 Mo1 O3 C30 0.3(2) . . . . ?
N2 Mo1 O3 C30 148.5(3) . . . . ?
N1 Mo1 O3 C30 117.0(3) . . . . ?
C45 Mo1 O3 C30 131.0(3) . . . . ?
O2 Mo2 O4 C30 84.9(3) . . . . ?
Mo1 Mo2 O4 C30 -6.4(2) . . . . ?
N3 Mo2 O4 C30 -119.4(3) . . . . ?
N4 Mo2 O4 C30 -177.5(3) . . . . ?
C37 Mo2 O4 C30 -140.4(2) . . . . ?
O3 Mo1 N1 C45 157.6(2) . . . . ?
O1 Mo1 N1 C45 63.5(3) . . . . ?
Mo2 Mo1 N1 C45 -107.3(2) . . . . ?
N2 Mo1 N1 C45 -7.1(2) . . . . ?
O3 Mo1 N1 C44 17.5(3) . . . . ?
O1 Mo1 N1 C44 -76.6(4) . . . . ?
Mo2 Mo1 N1 C44 112.6(3) . . . . ?
N2 Mo1 N1 C44 -147.2(4) . . . . ?
C45 Mo1 N1 C44 -140.1(5) . . . . ?
O3 Mo1 N2 C45 -29.1(4) . . . . ?
O1 Mo1 N2 C45 -145.4(2) . . . . ?
Mo2 Mo1 N2 C45 116.6(2) . . . . ?
N1 Mo1 N2 C45 7.2(2) . . . . ?
O3 Mo1 N2 C41 147.4(4) . . . . ?
O1 Mo1 N2 C41 31.1(4) . . . . ?
Mo2 Mo1 N2 C41 -66.9(4) . . . . ?
N1 Mo1 N2 C41 -176.3(5) . . . . ?
C45 Mo1 N2 C41 176.5(6) . . . . ?
O2 Mo2 N3 C37 -33.1(4) . . . . ?
O4 Mo2 N3 C37 -147.8(2) . . . . ?
Mo1 Mo2 N3 C37 114.6(2) . . . . ?
N4 Mo2 N3 C37 5.3(2) . . . . ?
O2 Mo2 N3 C36 146.2(4) . . . . ?
O4 Mo2 N3 C36 31.5(4) . . . . ?
Mo1 Mo2 N3 C36 -66.1(4) . . . . ?
N4 Mo2 N3 C36 -175.4(5) . . . . ?
C37 Mo2 N3 C36 179.3(6) . . . . ?
O2 Mo2 N4 C37 158.3(2) . . . . ?
O4 Mo2 N4 C37 63.2(3) . . . . ?
Mo1 Mo2 N4 C37 -106.8(2) . . . . ?
N3 Mo2 N4 C37 -5.2(2) . . . . ?
O2 Mo2 N4 C33 17.6(3) . . . . ?
O4 Mo2 N4 C33 -77.5(4) . . . . ?
Mo1 Mo2 N4 C33 112.4(3) . . . . ?
N3 Mo2 N4 C33 -146.0(4) . . . . ?
C37 Mo2 N4 C33 -140.8(5) . . . . ?
C3 C1 C2 C4 -0.4(6) . . . . ?
C2 C1 C3 C5 0.7(7) . . . . ?
C1 C2 C4 C6 -0.3(6) . . . . ?
C1 C3 C5 C7 179.2(4) . . . . ?
C1 C3 C5 C6 -0.3(6) . . . . ?
C2 C4 C6 C8 -177.7(4) . . . . ?
C2 C4 C6 C5 0.6(6) . . . . ?
C7 C5 C6 C8 -1.4(5) . . . . ?
C3 C5 C6 C8 178.1(3) . . . . ?
C7 C5 C6 C4 -179.8(4) . . . . ?
C3 C5 C6 C4 -0.3(5) . . . . ?
C3 C5 C7 C9 -179.4(4) . . . . ?
C6 C5 C7 C9 0.1(6) . . . . ?
C4 C6 C8 C10 180.0(4) . . . . ?
C5 C6 C8 C10 1.7(5) . . . . ?
C4 C6 C8 C15 3.4(5) . . . . ?
C5 C6 C8 C15 -174.9(3) . . . . ?
C5 C7 C9 C11 -178.5(4) . . . . ?
C5 C7 C9 C10 0.9(6) . . . . ?
C6 C8 C10 C12 176.7(3) . . . . ?
C15 C8 C10 C12 -6.8(6) . . . . ?
C6 C8 C10 C9 -0.8(5) . . . . ?
C15 C8 C10 C9 175.8(3) . . . . ?
C7 C9 C10 C8 -0.5(5) . . . . ?
C11 C9 C10 C8 178.9(4) . . . . ?
C7 C9 C10 C12 -178.1(4) . . . . ?
C11 C9 C10 C12 1.3(5) . . . . ?
C7 C9 C11 C13 178.4(4) . . . . ?
C10 C9 C11 C13 -1.0(6) . . . . ?
C8 C10 C12 C14 -178.3(4) . . . . ?
C9 C10 C12 C14 -0.8(6) . . . . ?
C9 C11 C13 C14 0.2(7) . . . . ?
C10 C12 C14 C13 0.0(6) . . . . ?
C11 C13 C14 C12 0.3(7) . . . . ?
Mo1 O1 C15 O2 3.8(4) . . . . ?
Mo1 O1 C15 C8 -175.4(2) . . . . ?
Mo2 O2 C15 O1 -2.0(4) . . . . ?
Mo2 O2 C15 C8 177.2(2) . . . . ?
C10 C8 C15 O1 133.8(4) . . . . ?
C6 C8 C15 O1 -49.6(5) . . . . ?
C10 C8 C15 O2 -45.5(5) . . . . ?
C6 C8 C15 O2 131.1(4) . . . . ?
C18 C16 C17 C19 0.3(7) . . . . ?
C17 C16 C18 C20 0.5(7) . . . . ?
C16 C17 C19 C21 -0.4(6) . . . . ?
C16 C18 C20 C22 177.8(4) . . . . ?
C16 C18 C20 C21 -1.1(6) . . . . ?
C17 C19 C21 C23 -177.6(4) . . . . ?
C17 C19 C21 C20 -0.3(6) . . . . ?
C22 C20 C21 C23 -0.5(6) . . . . ?
C18 C20 C21 C23 178.4(4) . . . . ?
C22 C20 C21 C19 -177.9(4) . . . . ?
C18 C20 C21 C19 1.0(5) . . . . ?
C18 C20 C22 C24 -177.9(4) . . . . ?
C21 C20 C22 C24 1.0(6) . . . . ?
C19 C21 C23 C25 176.1(4) . . . . ?
C20 C21 C23 C25 -1.2(6) . . . . ?
C19 C21 C23 C30 -4.6(6) . . . . ?
C20 C21 C23 C30 178.2(3) . . . . ?
C20 C22 C24 C25 0.2(6) . . . . ?
C20 C22 C24 C26 -179.4(4) . . . . ?
C21 C23 C25 C27 -178.9(4) . . . . ?
C30 C23 C25 C27 1.8(6) . . . . ?
C21 C23 C25 C24 2.3(6) . . . . ?
C30 C23 C25 C24 -177.0(3) . . . . ?
C22 C24 C25 C23 -1.8(6) . . . . ?
C26 C24 C25 C23 177.8(4) . . . . ?
C22 C24 C25 C27 179.3(4) . . . . ?
C26 C24 C25 C27 -1.1(6) . . . . ?
C22 C24 C26 C28 -178.8(4) . . . . ?
C25 C24 C26 C28 1.6(6) . . . . ?
C23 C25 C27 C29 -178.1(4) . . . . ?
C24 C25 C27 C29 0.7(6) . . . . ?
C24 C26 C28 C29 -1.6(7) . . . . ?
C25 C27 C29 C28 -0.8(6) . . . . ?
C26 C28 C29 C27 1.2(7) . . . . ?
Mo2 O4 C30 O3 8.0(4) . . . . ?
Mo2 O4 C30 C23 -170.9(2) . . . . ?
Mo1 O3 C30 O4 -5.3(4) . . . . ?
Mo1 O3 C30 C23 173.6(2) . . . . ?
C21 C23 C30 O4 120.8(4) . . . . ?
C25 C23 C30 O4 -59.8(5) . . . . ?
C21 C23 C30 O3 -58.1(5) . . . . ?
C25 C23 C30 O3 121.3(4) . . . . ?
C37 N4 C33 C32 153.6(4) . . . . ?
Mo2 N4 C33 C32 -74.8(4) . . . . ?
C37 N4 C33 C31 -83.4(4) . . . . ?
Mo2 N4 C33 C31 48.3(5) . . . . ?
C37 N3 C36 C35 -82.9(5) . . . . ?
Mo2 N3 C36 C35 98.0(4) . . . . ?
C37 N3 C36 C34 154.7(4) . . . . ?
Mo2 N3 C36 C34 -24.4(6) . . . . ?
C36 N3 C37 N4 172.4(3) . . . . ?
Mo2 N3 C37 N4 -8.2(3) . . . . ?
C36 N3 C37 C38 -7.8(6) . . . . ?
Mo2 N3 C37 C38 171.7(3) . . . . ?
C36 N3 C37 Mo2 -179.5(4) . . . . ?
C33 N4 C37 N3 155.0(3) . . . . ?
Mo2 N4 C37 N3 8.1(3) . . . . ?
C33 N4 C37 C38 -24.9(6) . . . . ?
Mo2 N4 C37 C38 -171.7(3) . . . . ?
C33 N4 C37 Mo2 146.8(4) . . . . ?
O2 Mo2 C37 N3 162.4(2) . . . . ?
O4 Mo2 C37 N3 42.4(3) . . . . ?
Mo1 Mo2 C37 N3 -80.4(2) . . . . ?
N4 Mo2 C37 N3 -170.9(4) . . . . ?
O2 Mo2 C37 N4 -26.6(3) . . . . ?
O4 Mo2 C37 N4 -146.6(2) . . . . ?
Mo1 Mo2 C37 N4 90.5(2) . . . . ?
N3 Mo2 C37 N4 170.9(4) . . . . ?
C45 N2 C41 C39 152.7(4) . . . . ?
Mo1 N2 C41 C39 -23.2(6) . . . . ?
C45 N2 C41 C40 -83.4(5) . . . . ?
Mo1 N2 C41 C40 100.8(5) . . . . ?
C45 N1 C44 C43 157.6(4) . . . . ?
Mo1 N1 C44 C43 -71.4(4) . . . . ?
C45 N1 C44 C42 -80.6(5) . . . . ?
Mo1 N1 C44 C42 50.5(5) . . . . ?
C41 N2 C45 N1 171.5(3) . . . . ?
Mo1 N2 C45 N1 -11.0(3) . . . . ?
C41 N2 C45 C46 -8.0(6) . . . . ?
Mo1 N2 C45 C46 169.5(3) . . . . ?
C41 N2 C45 Mo1 -177.5(4) . . . . ?
C44 N1 C45 N2 157.4(3) . . . . ?
Mo1 N1 C45 N2 10.9(3) . . . . ?
C44 N1 C45 C46 -23.1(6) . . . . ?
Mo1 N1 C45 C46 -169.6(3) . . . . ?
C44 N1 C45 Mo1 146.5(4) . . . . ?
O3 Mo1 C45 N2 164.7(2) . . . . ?
O1 Mo1 C45 N2 45.7(3) . . . . ?
Mo2 Mo1 C45 N2 -77.7(2) . . . . ?
N1 Mo1 C45 N2 -167.6(4) . . . . ?
O3 Mo1 C45 N1 -27.7(3) . . . . ?
O1 Mo1 C45 N1 -146.7(2) . . . . ?
Mo2 Mo1 C45 N1 89.9(2) . . . . ?
N2 Mo1 C45 N1 167.6(4) . . . . ?
C51 O5 C48 C49 27.3(6) . . . . ?
O5 C48 C49 C50 -35.0(5) . . . . ?
C48 C49 C50 C51 29.4(5) . . . . ?
C48 O5 C51 C50 -7.7(6) . . . . ?
C49 C50 C51 O5 -14.6(5) . . . . ?
