#------------------------------------------------------------------------------
#$Date: 2020-10-06 13:14:03 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257773 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/95/7059543.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_7059543
loop_
_publ_author_name
'Topić, Edi'
'Pisk, Jana'
'Agustin, Dominique'
'Jendrlin, Martin'
'Cvijanović, Danijela'
'Vrdoljak, Višnja'
'Rubčić, Mirta'
_publ_section_title
;
 Discrete and polymeric ensembles based on dinuclear molybdenum(vi)
 building blocks with adaptive carbohydrazide ligands: from the design to
 catalytic epoxidation
;
_journal_issue                   19
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              8085
_journal_page_last               8097
_journal_paper_doi               10.1039/D0NJ01045F
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C19 H22 Mo2 N4 O11'
_chemical_formula_sum            'C19 H22 Mo2 N4 O11'
_chemical_formula_weight         674.28
_chemical_name_systematic
2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene))di(4-methoxyphenolato))bis(methanol)tetraoxo-di-molybdenum(vi)
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-02-10 deposited with the CCDC.	2020-04-27 downloaded from the CCDC.
;
_cell_angle_alpha                105.949(3)
_cell_angle_beta                 103.394(3)
_cell_angle_gamma                96.009(3)
_cell_formula_units_Z            2
_cell_length_a                   7.4676(3)
_cell_length_b                   11.7394(4)
_cell_length_c                   14.8772(6)
_cell_measurement_reflns_used    3865
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      30.3470
_cell_measurement_theta_min      4.5070
_cell_volume                     1199.98(9)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2018)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.3426
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_unetI/netI     0.0703
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12820
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.000
_diffrn_reflns_theta_min         4.224
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.111
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91105
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_description       prism
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.733
_refine_diff_density_min         -0.590
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         6347
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0783
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0343P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0929
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4394
_reflns_number_total             6347
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj01045f2.cif
_cod_data_source_block           6a
_cod_depositor_comments
;Adding full bibliography for 7059536--7059543.cif.

 Adding full bibliography for 7059536--7059543.cif.
;
_cod_original_cell_volume        1199.98(8)
_cod_database_code               7059543
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo2 Mo 0.56132(4) 0.43080(3) 0.20283(2) 0.03131(10) Uani 1 1 d . . . . .
Mo1 Mo 0.83668(5) 0.20897(3) 0.44760(2) 0.03490(10) Uani 1 1 d . . . . .
O2 O 0.7969(3) 0.3796(2) 0.47397(17) 0.0369(6) Uani 1 1 d . . . . .
O3 O 0.4955(3) 0.5657(2) 0.16107(18) 0.0394(6) Uani 1 1 d . . . . .
O1 O 0.8988(3) 0.0697(2) 0.36802(18) 0.0399(6) Uani 1 1 d . . . . .
O7 O 0.6544(4) 0.3547(2) 0.11497(19) 0.0475(7) Uani 1 1 d . . . . .
O4 O 0.6192(4) 0.1496(2) 0.4466(2) 0.0531(8) Uani 1 1 d . . . . .
N4 N 0.5897(4) 0.5607(2) 0.3486(2) 0.0304(7) Uani 1 1 d . . . . .
N2 N 0.6844(4) 0.3555(2) 0.3100(2) 0.0314(7) Uani 1 1 d . . . . .
O11 O 0.8656(4) 0.5480(2) 0.2598(2) 0.0481(7) Uani 1 1 d D . . . .
H11O H 0.883(6) 0.6173(19) 0.290(3) 0.058 Uiso 1 1 d D U . . .
O8 O 0.8883(4) -0.2950(2) 0.1412(2) 0.0458(7) Uani 1 1 d . . . . .
O9 O 0.2573(4) 0.8961(2) 0.09831(19) 0.0450(7) Uani 1 1 d . . . . .
N3 N 0.6745(4) 0.5287(3) 0.4303(2) 0.0324(7) Uani 1 1 d . . . . .
O6 O 0.3467(4) 0.3475(2) 0.1780(2) 0.0503(8) Uani 1 1 d . . . . .
N1 N 0.7284(4) 0.2410(2) 0.3013(2) 0.0294(6) Uani 1 1 d . . . . .
O10 O 1.0979(4) 0.3001(2) 0.4180(2) 0.0441(7) Uani 1 1 d D . . . .
H10O H 1.159(5) 0.350(3) 0.466(2) 0.053 Uiso 1 1 d D U . . .
O5 O 0.9749(4) 0.2298(2) 0.5615(2) 0.0521(8) Uani 1 1 d . . . . .
C8 C 0.7176(5) 0.4220(3) 0.4053(3) 0.0313(8) Uani 1 1 d . . . . .
C1 C 0.7523(4) 0.0463(3) 0.1999(2) 0.0287(8) Uani 1 1 d . . . . .
C9 C 0.5497(5) 0.6675(3) 0.3679(3) 0.0333(8) Uani 1 1 d . . . . .
H9 H 0.571902 0.711248 0.433025 0.040 Uiso 1 1 calc R U . . .
C7 C 0.7065(5) 0.1651(3) 0.2167(3) 0.0306(8) Uani 1 1 d . . . . .
H7 H 0.657580 0.188765 0.162726 0.037 Uiso 1 1 calc R U . . .
C2 C 0.8441(5) 0.0023(3) 0.2743(3) 0.0293(8) Uani 1 1 d . . . . .
C6 C 0.7100(5) -0.0282(3) 0.1042(3) 0.0329(8) Uani 1 1 d . . . . .
H6 H 0.652354 0.000698 0.054680 0.039 Uiso 1 1 calc R U . . .
C11 C 0.4462(5) 0.6728(3) 0.1969(3) 0.0306(8) Uani 1 1 d . . . . .
C12 C 0.3712(5) 0.7321(3) 0.1321(3) 0.0342(8) Uani 1 1 d . . . . .
H12 H 0.349813 0.696124 0.065659 0.041 Uiso 1 1 calc R U . . .
C10 C 0.4737(5) 0.7247(3) 0.2975(3) 0.0316(8) Uani 1 1 d . . . . .
C13 C 0.3284(5) 0.8456(3) 0.1673(3) 0.0335(8) Uani 1 1 d . . . . .
C3 C 0.8849(5) -0.1123(3) 0.2508(3) 0.0334(8) Uani 1 1 d . . . . .
H3 H 0.944527 -0.141263 0.299866 0.040 Uiso 1 1 calc R U . . .
C4 C 0.8382(5) -0.1851(3) 0.1547(3) 0.0320(8) Uani 1 1 d . . . . .
C5 C 0.7501(5) -0.1431(3) 0.0799(3) 0.0349(8) Uani 1 1 d . . . . .
H5 H 0.719277 -0.191178 0.015378 0.042 Uiso 1 1 calc R U . . .
C17 C 0.2155(5) 1.0149(3) 0.1295(3) 0.0450(10) Uani 1 1 d . . . . .
H17A H 0.124615 1.014476 0.165675 0.068 Uiso 1 1 calc R U . . .
H17B H 0.166332 1.039682 0.073701 0.068 Uiso 1 1 calc R U . . .
H17C H 0.327767 1.070038 0.169856 0.068 Uiso 1 1 calc R U . . .
C15 C 0.4303(5) 0.8389(3) 0.3295(3) 0.0391(9) Uani 1 1 d . . . . .
H15 H 0.450420 0.875537 0.395815 0.047 Uiso 1 1 calc R U . . .
C14 C 0.3584(5) 0.8993(3) 0.2659(3) 0.0402(9) Uani 1 1 d . . . . .
H14 H 0.330332 0.975388 0.289124 0.048 Uiso 1 1 calc R U . . .
C18 C 1.2045(6) 0.2543(4) 0.3537(3) 0.0578(12) Uani 1 1 d . . . . .
H18A H 1.252045 0.186599 0.368269 0.087 Uiso 1 1 calc R U . . .
H18B H 1.307007 0.315815 0.361214 0.087 Uiso 1 1 calc R U . . .
H18C H 1.126702 0.229178 0.288078 0.087 Uiso 1 1 calc R U . . .
C16 C 0.8367(7) -0.3774(4) 0.0458(3) 0.0644(14) Uani 1 1 d . . . . .
H16A H 0.703193 -0.391968 0.020127 0.097 Uiso 1 1 calc R U . . .
H16B H 0.877546 -0.451783 0.047563 0.097 Uiso 1 1 calc R U . . .
H16C H 0.894564 -0.344043 0.005100 0.097 Uiso 1 1 calc R U . . .
C19 C 1.0379(6) 0.5083(4) 0.2585(4) 0.0672(14) Uani 1 1 d . . . . .
H19A H 1.091327 0.495511 0.319381 0.101 Uiso 1 1 calc R U . . .
H19C H 1.122288 0.568292 0.248615 0.101 Uiso 1 1 calc R U . . .
H19B H 1.016850 0.434289 0.206718 0.101 Uiso 1 1 calc R U . . .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
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
O6 Mo2 O7 104.17(14) . . ?
O6 Mo2 O3 100.53(12) . . ?
O7 Mo2 O3 103.04(12) . . ?
O6 Mo2 N2 93.92(12) . . ?
O7 Mo2 N2 96.54(12) . . ?
O3 Mo2 N2 151.88(11) . . ?
O6 Mo2 N4 102.14(13) . . ?
O7 Mo2 N4 151.75(12) . . ?
O3 Mo2 N4 81.94(10) . . ?
N2 Mo2 N4 71.44(11) . . ?
O6 Mo2 O11 172.15(13) . . ?
O7 Mo2 O11 81.31(12) . . ?
O3 Mo2 O11 83.45(10) . . ?
N2 Mo2 O11 79.75(10) . . ?
N4 Mo2 O11 71.56(11) . . ?
O4 Mo1 O5 105.83(14) . . ?
O4 Mo1 O1 99.22(13) . . ?
O5 Mo1 O1 104.61(12) . . ?
O4 Mo1 O2 96.29(12) . . ?
O5 Mo1 O2 95.00(11) . . ?
O1 Mo1 O2 150.49(11) . . ?
O4 Mo1 N1 92.20(12) . . ?
O5 Mo1 N1 159.10(12) . . ?
O1 Mo1 N1 82.26(10) . . ?
O2 Mo1 N1 72.16(10) . . ?
O4 Mo1 O10 166.96(12) . . ?
O5 Mo1 O10 86.59(12) . . ?
O1 Mo1 O10 81.01(10) . . ?
O2 Mo1 O10 78.35(10) . . ?
N1 Mo1 O10 74.87(10) . . ?
C8 O2 Mo1 122.5(2) . . ?
C11 O3 Mo2 138.9(2) . . ?
C2 O1 Mo1 137.2(2) . . ?
C9 N4 N3 114.6(3) . . ?
C9 N4 Mo2 127.7(2) . . ?
N3 N4 Mo2 117.5(2) . . ?
C8 N2 N1 111.2(3) . . ?
C8 N2 Mo2 118.1(2) . . ?
N1 N2 Mo2 130.5(2) . . ?
C19 O11 Mo2 128.1(3) . . ?
C19 O11 H11O 111(3) . . ?
Mo2 O11 H11O 121(3) . . ?
C4 O8 C16 118.6(3) . . ?
C13 O9 C17 118.0(3) . . ?
C8 N3 N4 111.2(3) . . ?
C7 N1 N2 120.3(3) . . ?
C7 N1 Mo1 126.3(2) . . ?
N2 N1 Mo1 113.4(2) . . ?
C18 O10 Mo1 131.0(2) . . ?
C18 O10 H10O 113(3) . . ?
Mo1 O10 H10O 110(3) . . ?
N3 C8 O2 118.2(3) . . ?
N3 C8 N2 121.7(3) . . ?
O2 C8 N2 120.1(3) . . ?
C6 C1 C2 118.0(3) . . ?
C6 C1 C7 118.0(3) . . ?
C2 C1 C7 124.0(3) . . ?
N4 C9 C10 125.6(3) . . ?
N4 C9 H9 117.2 . . ?
C10 C9 H9 117.2 . . ?
N1 C7 C1 124.7(3) . . ?
N1 C7 H7 117.6 . . ?
C1 C7 H7 117.6 . . ?
O1 C2 C3 118.1(3) . . ?
O1 C2 C1 122.2(3) . . ?
C3 C2 C1 119.7(3) . . ?
C5 C6 C1 122.8(3) . . ?
C5 C6 H6 118.6 . . ?
C1 C6 H6 118.6 . . ?
O3 C11 C12 118.2(3) . . ?
O3 C11 C10 121.1(3) . . ?
C12 C11 C10 120.7(3) . . ?
C11 C12 C13 119.6(3) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C15 C10 C11 117.8(3) . . ?
C15 C10 C9 119.0(3) . . ?
C11 C10 C9 123.2(3) . . ?
O9 C13 C14 124.4(3) . . ?
O9 C13 C12 115.0(3) . . ?
C14 C13 C12 120.6(3) . . ?
C2 C3 C4 120.9(3) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
O8 C4 C3 115.1(3) . . ?
O8 C4 C5 124.4(3) . . ?
C3 C4 C5 120.5(3) . . ?
C6 C5 C4 118.1(3) . . ?
C6 C5 H5 120.9 . . ?
C4 C5 H5 120.9 . . ?
O9 C17 H17A 109.5 . . ?
O9 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O9 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C15 C10 122.0(4) . . ?
C14 C15 H15 119.0 . . ?
C10 C15 H15 119.0 . . ?
C15 C14 C13 119.4(3) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
O10 C18 H18A 109.5 . . ?
O10 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
O10 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O8 C16 H16A 109.5 . . ?
O8 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O8 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O11 C19 H19A 109.5 . . ?
O11 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
O11 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19C C19 H19B 109.5 . . ?
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
Mo2 O6 1.691(3) . ?
Mo2 O7 1.703(3) . ?
Mo2 O3 1.923(2) . ?
Mo2 N2 2.105(3) . ?
Mo2 N4 2.230(3) . ?
Mo2 O11 2.364(3) . ?
Mo1 O4 1.694(3) . ?
Mo1 O5 1.704(3) . ?
Mo1 O1 1.908(3) . ?
Mo1 O2 2.000(2) . ?
Mo1 N1 2.287(3) . ?
Mo1 O10 2.316(3) . ?
O2 C8 1.305(4) . ?
O3 C11 1.349(4) . ?
O1 C2 1.341(4) . ?
N4 C9 1.290(4) . ?
N4 N3 1.402(4) . ?
N2 C8 1.367(4) . ?
N2 N1 1.396(4) . ?
O11 C19 1.416(5) . ?
O11 H11O 0.794(18) . ?
O8 C4 1.357(4) . ?
O8 C16 1.418(5) . ?
O9 C13 1.354(4) . ?
O9 C17 1.435(4) . ?
N3 C8 1.303(4) . ?
N1 C7 1.289(4) . ?
O10 C18 1.413(5) . ?
O10 H10O 0.791(18) . ?
C1 C6 1.393(5) . ?
C1 C2 1.414(4) . ?
C1 C7 1.439(5) . ?
C9 C10 1.435(5) . ?
C9 H9 0.9300 . ?
C7 H7 0.9300 . ?
C2 C3 1.379(5) . ?
C6 C5 1.381(5) . ?
C6 H6 0.9300 . ?
C11 C12 1.388(5) . ?
C11 C10 1.407(5) . ?
C12 C13 1.392(5) . ?
C12 H12 0.9300 . ?
C10 C15 1.394(5) . ?
C13 C14 1.382(5) . ?
C3 C4 1.390(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.394(5) . ?
C5 H5 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C15 C14 1.377(5) . ?
C15 H15 0.9300 . ?
C14 H14 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19C 0.9600 . ?
C19 H19B 0.9600 . ?
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
C9 N4 N3 C8 -177.5(3) . . . . ?
Mo2 N4 N3 C8 -2.3(4) . . . . ?
C8 N2 N1 C7 -179.9(3) . . . . ?
Mo2 N2 N1 C7 5.3(5) . . . . ?
C8 N2 N1 Mo1 0.1(3) . . . . ?
Mo2 N2 N1 Mo1 -174.65(16) . . . . ?
N4 N3 C8 O2 -179.6(3) . . . . ?
N4 N3 C8 N2 1.4(5) . . . . ?
Mo1 O2 C8 N3 170.8(2) . . . . ?
Mo1 O2 C8 N2 -10.2(5) . . . . ?
N1 N2 C8 N3 -175.2(3) . . . . ?
Mo2 N2 C8 N3 0.3(5) . . . . ?
N1 N2 C8 O2 5.8(5) . . . . ?
Mo2 N2 C8 O2 -178.7(2) . . . . ?
N3 N4 C9 C10 175.8(3) . . . . ?
Mo2 N4 C9 C10 1.2(5) . . . . ?
N2 N1 C7 C1 178.2(3) . . . . ?
Mo1 N1 C7 C1 -1.8(5) . . . . ?
C6 C1 C7 N1 176.1(3) . . . . ?
C2 C1 C7 N1 -6.4(6) . . . . ?
Mo1 O1 C2 C3 -161.0(3) . . . . ?
Mo1 O1 C2 C1 21.0(5) . . . . ?
C6 C1 C2 O1 176.6(3) . . . . ?
C7 C1 C2 O1 -0.9(5) . . . . ?
C6 C1 C2 C3 -1.4(5) . . . . ?
C7 C1 C2 C3 -178.9(3) . . . . ?
C2 C1 C6 C5 1.5(5) . . . . ?
C7 C1 C6 C5 179.2(3) . . . . ?
Mo2 O3 C11 C12 -166.4(3) . . . . ?
Mo2 O3 C11 C10 15.1(5) . . . . ?
O3 C11 C12 C13 -176.5(3) . . . . ?
C10 C11 C12 C13 2.0(5) . . . . ?
O3 C11 C10 C15 176.0(3) . . . . ?
C12 C11 C10 C15 -2.5(5) . . . . ?
O3 C11 C10 C9 -1.8(5) . . . . ?
C12 C11 C10 C9 179.7(3) . . . . ?
N4 C9 C10 C15 177.3(4) . . . . ?
N4 C9 C10 C11 -4.8(6) . . . . ?
C17 O9 C13 C14 2.1(5) . . . . ?
C17 O9 C13 C12 -178.0(3) . . . . ?
C11 C12 C13 O9 179.5(3) . . . . ?
C11 C12 C13 C14 -0.5(6) . . . . ?
O1 C2 C3 C4 -177.7(3) . . . . ?
C1 C2 C3 C4 0.4(5) . . . . ?
C16 O8 C4 C3 176.6(4) . . . . ?
C16 O8 C4 C5 -4.9(6) . . . . ?
C2 C3 C4 O8 179.1(3) . . . . ?
C2 C3 C4 C5 0.5(6) . . . . ?
C1 C6 C5 C4 -0.6(5) . . . . ?
O8 C4 C5 C6 -178.9(3) . . . . ?
C3 C4 C5 C6 -0.4(5) . . . . ?
C11 C10 C15 C14 1.5(6) . . . . ?
C9 C10 C15 C14 179.5(3) . . . . ?
C10 C15 C14 C13 -0.1(6) . . . . ?
O9 C13 C14 C15 179.5(3) . . . . ?
C12 C13 C14 C15 -0.4(6) . . . . ?
