#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/05/7210580.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_7210580
loop_
_publ_author_name
'Chen, Baokuan'
'Lin, Zhengguo'
'Wang, Bo'
'Feng, Xiao'
'Fan, Linyuan'
'Yang, Song'
'Huang, Xianqiang'
'Hu, Changwen'
_publ_section_title
;
 A new synthetic approach to functionalize oxomolybdenum complexes
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              7410
_journal_paper_doi               10.1039/c3ce40994e
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C12 H20 Mo8 N4 O26, 4(C6 H11 N2)'
_chemical_formula_sum            'C36 H64 Mo8 N12 O26'
_chemical_formula_weight         1848.51
_chemical_name_systematic
; 
 ? 
;
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 120.334(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.1921(4)
_cell_length_b                   21.5036(9)
_cell_length_c                   15.3277(5)
_cell_measurement_reflns_used    9975
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.39
_cell_measurement_theta_min      2.24
_cell_volume                     2899.4(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0197
_diffrn_reflns_av_sigmaI/netI    0.0228
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            14316
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    1.761
_exptl_absorpt_correction_T_max  0.768
_exptl_absorpt_correction_T_min  0.596
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS,Bruker(2005)
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.117
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rodlike
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.191
_refine_diff_density_min         -1.133
_refine_diff_density_rms         0.230
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.232
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         5154
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.232
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0219
_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)+(0.0657P)²+1.9889P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.1049
_reflns_number_gt                4737
_reflns_number_total             5221
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40994e.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'__cell_measurement_reflns_used' tag replaced with
'_cell_measurement_reflns_used'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2899.42(19)
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7210580
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C -0.0610(5) 0.79077(18) 0.1175(3) 0.0123(8) Uani 1 1 d .
H1 H -0.0669 0.8034 0.0575 0.015 Uiso 1 1 calc R
C2 C -0.0038(5) 0.78599(19) 0.2740(3) 0.0141(9) Uani 1 1 d .
H2 H 0.0380 0.7953 0.3422 0.017 Uiso 1 1 calc R
C3 C -0.0932(5) 0.73644(19) 0.2267(3) 0.0136(8) Uani 1 1 d .
H3 H -0.1245 0.7060 0.2554 0.016 Uiso 1 1 calc R
C4 C -0.2356(5) 0.6990(2) 0.0435(3) 0.0199(10) Uani 1 1 d .
H4 H -0.2574 0.6625 0.0724 0.024 Uiso 1 1 calc R
C5 C -0.1624(6) 0.6772(2) -0.0166(4) 0.0266(11) Uani 1 1 d .
H5A H -0.2289 0.6484 -0.0678 0.040 Uiso 1 1 calc R
H5B H -0.0675 0.6571 0.0280 0.040 Uiso 1 1 calc R
H5C H -0.1446 0.7123 -0.0478 0.040 Uiso 1 1 calc R
C6 C -0.3828(5) 0.7339(3) -0.0216(3) 0.0297(12) Uani 1 1 d .
H6A H -0.3637 0.7688 -0.0527 0.045 Uiso 1 1 calc R
H6B H -0.4226 0.7484 0.0197 0.045 Uiso 1 1 calc R
H6C H -0.4552 0.7067 -0.0731 0.045 Uiso 1 1 calc R
N1 N 0.0161(4) 0.82081(16) 0.2057(2) 0.0108(7) Uani 1 1 d .
N2 N -0.1284(4) 0.74008(16) 0.1275(2) 0.0134(7) Uani 1 1 d .
O1 O 0.1038(3) 1.04568(13) 0.3431(2) 0.0128(6) Uani 1 1 d .
O2 O 0.2414(3) 1.10212(13) 0.0022(2) 0.0115(6) Uani 1 1 d .
O3 O 0.0601(3) 1.04512(12) 0.0735(2) 0.0082(6) Uani 1 1 d .
O4 O 0.0318(3) 1.03449(13) -0.1690(2) 0.0103(6) Uani 1 1 d .
O5 O 0.2384(3) 0.97645(13) 0.0177(2) 0.0103(6) Uani 1 1 d .
O6 O 0.2567(3) 0.98180(13) 0.25777(19) 0.0094(6) Uani 1 1 d .
O7 O 0.1571(3) 0.90080(13) 0.3546(2) 0.0134(6) Uani 1 1 d .
O8 O -0.2935(3) 1.14636(13) -0.0299(2) 0.0132(6) Uani 1 1 d .
O9 O -0.0006(3) 1.18612(13) 0.0588(2) 0.0131(6) Uani 1 1 d .
O10 O -0.0861(3) 1.09979(12) -0.0910(2) 0.0089(6) Uani 1 1 d .
O11 O 0.2480(3) 1.10850(13) 0.2628(2) 0.0126(6) Uani 1 1 d .
O12 O -0.0713(3) 1.09608(13) 0.1553(2) 0.0112(6) Uani 1 1 d .
O13 O 0.3273(3) 0.85630(14) 0.2756(2) 0.0151(6) Uani 1 1 d .
Mo1 Mo 0.11946(4) 1.041489(15) -0.02873(2) 0.00691(12) Uani 1 1 d .
Mo2 Mo -0.10874(4) 1.120207(16) 0.02259(2) 0.00801(12) Uani 1 1 d .
Mo3 Mo 0.12007(4) 1.050120(15) 0.23753(2) 0.00749(12) Uani 1 1 d .
Mo4 Mo 0.17267(4) 0.901314(15) 0.24821(2) 0.00806(12) Uani 1 1 d .
C7 C 0.2588(5) 0.8191(2) 0.7466(3) 0.0183(9) Uani 1 1 d .
H7 H 0.1749 0.7928 0.7195 0.022 Uiso 1 1 calc R
C8 C 0.4162(5) 0.8941(2) 0.8306(3) 0.0174(9) Uani 1 1 d .
H8 H 0.4597 0.9286 0.8717 0.021 Uiso 1 1 calc R
C9 C 0.4771(5) 0.8610(2) 0.7846(3) 0.0155(9) Uani 1 1 d .
H9 H 0.5694 0.8686 0.7880 0.019 Uiso 1 1 calc R
C10 C 0.3837(5) 0.7678(2) 0.6627(3) 0.0173(9) Uani 1 1 d .
H10 H 0.3177 0.7328 0.6559 0.021 Uiso 1 1 calc R
C11 C 0.5440(5) 0.7435(2) 0.7066(3) 0.0233(10) Uani 1 1 d .
H11A H 0.5455 0.7110 0.6641 0.035 Uiso 1 1 calc R
H11B H 0.5787 0.7273 0.7731 0.035 Uiso 1 1 calc R
H11C H 0.6097 0.7767 0.7105 0.035 Uiso 1 1 calc R
C12 C 0.3222(6) 0.7973(2) 0.5588(3) 0.0284(12) Uani 1 1 d .
H12A H 0.3907 0.8292 0.5625 0.043 Uiso 1 1 calc R
H12B H 0.2242 0.8152 0.5373 0.043 Uiso 1 1 calc R
H12C H 0.3129 0.7661 0.5112 0.043 Uiso 1 1 calc R
N3 N 0.2797(4) 0.86782(18) 0.8060(3) 0.0186(8) Uani 1 1 d .
N4 N 0.3761(4) 0.81398(16) 0.7318(3) 0.0145(7) Uani 1 1 d .
C13 C 0.7815(5) 0.9445(2) 0.2800(3) 0.0177(9) Uani 1 1 d .
H13 H 0.8868 0.9475 0.3117 0.021 Uiso 1 1 calc R
C14 C 0.6859(5) 0.9199(2) 0.1879(3) 0.0208(10) Uani 1 1 d .
H14 H 0.7141 0.9023 0.1444 0.025 Uiso 1 1 calc R
C15 C 0.5454(5) 0.95242(19) 0.2498(3) 0.0145(9) Uani 1 1 d .
H15 H 0.4619 0.9614 0.2568 0.017 Uiso 1 1 calc R
C16 C 0.7467(5) 0.9924(2) 0.4195(3) 0.0148(9) Uani 1 1 d .
H16 H 0.8154 0.9625 0.4702 0.018 Uiso 1 1 calc R
C17 C 0.6173(5) 1.0053(2) 0.4389(3) 0.0228(10) Uani 1 1 d .
H17A H 0.6577 1.0212 0.5062 0.034 Uiso 1 1 calc R
H17B H 0.5628 0.9675 0.4317 0.034 Uiso 1 1 calc R
H17C H 0.5497 1.0354 0.3911 0.034 Uiso 1 1 calc R
C18 C 0.8376(5) 1.0508(2) 0.4293(3) 0.0176(9) Uani 1 1 d .
H18A H 0.7692 1.0843 0.3934 0.026 Uiso 1 1 calc R
H18B H 0.9017 1.0432 0.4013 0.026 Uiso 1 1 calc R
H18C H 0.8992 1.0617 0.4994 0.026 Uiso 1 1 calc R
N5 N 0.5414(4) 0.92542(18) 0.1700(3) 0.0181(8) Uani 1 1 d .
N6 N 0.6896(4) 0.96422(16) 0.3174(3) 0.0125(7) 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'
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'
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
N1 C1 N2 110.5(3) . .
N1 C1 H1 124.7 . .
N2 C1 H1 124.7 . .
C3 C2 N1 109.8(4) . .
C3 C2 H2 125.1 . .
N1 C2 H2 125.1 . .
C2 C3 N2 106.1(4) . .
C2 C3 H3 127.0 . .
N2 C3 H3 127.0 . .
N2 C4 C6 109.0(4) . .
N2 C4 C5 109.7(4) . .
C6 C4 C5 112.2(4) . .
N2 C4 H4 108.6 . .
C6 C4 H4 108.6 . .
C5 C4 H4 108.6 . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C4 C6 H6A 109.5 . .
C4 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C4 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C1 N1 C2 105.5(3) . .
C1 N1 Mo4 130.0(3) . .
C2 N1 Mo4 124.0(3) . .
C1 N2 C3 108.1(3) . .
C1 N2 C4 125.4(3) . .
C3 N2 C4 126.2(3) . .
Mo1 O3 Mo2 104.46(12) . .
Mo1 O3 Mo3 150.98(15) . .
Mo2 O3 Mo3 94.78(10) . .
Mo1 O3 Mo1 103.62(11) . 3_575
Mo2 O3 Mo1 96.83(11) . 3_575
Mo3 O3 Mo1 95.26(10) . 3_575
Mo1 O4 Mo4 110.01(13) . 3_575
Mo1 O4 Mo3 114.46(13) . 3_575
Mo4 O4 Mo3 90.73(10) 3_575 3_575
Mo1 O5 Mo2 114.47(13) . 3_575
Mo4 O6 Mo3 114.71(13) . .
Mo2 O10 Mo4 150.19(16) . 3_575
Mo2 O10 Mo1 105.12(12) . .
Mo4 O10 Mo1 104.26(11) 3_575 .
Mo2 O12 Mo3 114.32(14) . .
O2 Mo1 O5 103.97(14) . .
O2 Mo1 O4 103.89(13) . .
O5 Mo1 O4 103.51(13) . .
O2 Mo1 O3 103.10(12) . .
O5 Mo1 O3 97.95(12) . .
O4 Mo1 O3 139.99(13) . .
O2 Mo1 O10 94.94(12) . .
O5 Mo1 O10 160.61(12) . .
O4 Mo1 O10 75.52(11) . .
O3 Mo1 O10 73.23(11) . .
O2 Mo1 O3 179.09(12) . 3_575
O5 Mo1 O3 76.86(11) . 3_575
O4 Mo1 O3 76.19(11) . 3_575
O3 Mo1 O3 76.38(11) . 3_575
O10 Mo1 O3 84.20(9) . 3_575
O9 Mo2 O8 104.74(14) . .
O9 Mo2 O10 97.55(12) . .
O8 Mo2 O10 104.75(12) . .
O9 Mo2 O12 97.36(12) . .
O8 Mo2 O12 99.56(13) . .
O10 Mo2 O12 147.07(12) . .
O9 Mo2 O3 103.50(12) . .
O8 Mo2 O3 151.63(12) . .
O10 Mo2 O3 73.91(11) . .
O12 Mo2 O3 74.13(11) . .
O9 Mo2 O5 174.75(12) . 3_575
O8 Mo2 O5 80.26(12) . 3_575
O10 Mo2 O5 82.52(10) . 3_575
O12 Mo2 O5 80.05(11) . 3_575
O3 Mo2 O5 71.43(9) . 3_575
O11 Mo3 O1 104.71(14) . .
O11 Mo3 O6 96.68(13) . .
O1 Mo3 O6 102.20(12) . .
O11 Mo3 O12 99.91(12) . .
O1 Mo3 O12 95.50(13) . .
O6 Mo3 O12 151.76(11) . .
O11 Mo3 O3 91.95(12) . .
O1 Mo3 O3 160.80(13) . .
O6 Mo3 O3 84.91(11) . .
O12 Mo3 O3 71.90(11) . .
O11 Mo3 O4 163.13(12) . 3_575
O1 Mo3 O4 91.37(12) . 3_575
O6 Mo3 O4 74.55(11) . 3_575
O12 Mo3 O4 83.28(11) . 3_575
O3 Mo3 O4 73.17(9) . 3_575
O13 Mo4 O7 106.20(13) . .
O13 Mo4 O6 99.94(13) . .
O7 Mo4 O6 100.75(12) . .
O13 Mo4 O10 94.36(12) . 3_575
O7 Mo4 O10 154.21(13) . 3_575
O6 Mo4 O10 90.60(11) . 3_575
O13 Mo4 N1 93.87(13) . .
O7 Mo4 N1 82.89(13) . .
O6 Mo4 N1 164.02(12) . .
O10 Mo4 N1 80.30(11) 3_575 .
O13 Mo4 O4 163.09(12) . 3_575
O7 Mo4 O4 90.68(12) . 3_575
O6 Mo4 O4 75.18(10) . 3_575
O10 Mo4 O4 69.78(10) 3_575 3_575
N1 Mo4 O4 89.29(11) . 3_575
N4 C7 N3 109.6(4) . .
N4 C7 H7 125.2 . .
N3 C7 H7 125.2 . .
C9 C8 N3 108.1(4) . .
C9 C8 H8 125.9 . .
N3 C8 H8 125.9 . .
C8 C9 N4 106.8(4) . .
C8 C9 H9 126.6 . .
N4 C9 H9 126.6 . .
N4 C10 C11 110.4(3) . .
N4 C10 C12 109.0(4) . .
C11 C10 C12 113.0(4) . .
N4 C10 H10 108.1 . .
C11 C10 H10 108.1 . .
C12 C10 H10 108.1 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C7 N3 C8 107.6(4) . .
C7 N4 C9 107.9(4) . .
C7 N4 C10 123.6(4) . .
C9 N4 C10 128.3(4) . .
C14 C13 N6 105.6(4) . .
C14 C13 H13 127.2 . .
N6 C13 H13 127.2 . .
C13 C14 N5 108.2(4) . .
C13 C14 H14 125.9 . .
N5 C14 H14 125.9 . .
N6 C15 N5 107.9(4) . .
N6 C15 H15 126.1 . .
N5 C15 H15 126.1 . .
N6 C16 C17 111.3(3) . .
N6 C16 C18 109.5(3) . .
C17 C16 C18 112.1(4) . .
N6 C16 H16 107.9 . .
C17 C16 H16 107.9 . .
C18 C16 H16 107.9 . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C15 N5 C14 108.9(4) . .
C15 N6 C13 109.4(4) . .
C15 N6 C16 125.9(4) . .
C13 N6 C16 124.7(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.338(5) .
C1 N2 1.338(5) .
C1 H1 0.9300 .
C2 C3 1.350(6) .
C2 N1 1.383(5) .
C2 H2 0.9300 .
C3 N2 1.377(5) .
C3 H3 0.9300 .
C4 N2 1.487(5) .
C4 C6 1.517(7) .
C4 C5 1.523(7) .
C4 H4 0.9800 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
N1 Mo4 2.217(3) .
O1 Mo3 1.710(3) .
O2 Mo1 1.696(3) .
O3 Mo1 1.946(3) .
O3 Mo2 2.196(3) .
O3 Mo3 2.270(3) .
O3 Mo1 2.453(3) 3_575
O4 Mo1 1.871(3) .
O4 Mo4 2.273(3) 3_575
O4 Mo3 2.273(3) 3_575
O5 Mo1 1.749(3) .
O5 Mo2 2.372(3) 3_575
O6 Mo4 1.903(3) .
O6 Mo3 1.938(3) .
O7 Mo4 1.716(3) .
O8 Mo2 1.726(3) .
O9 Mo2 1.707(3) .
O10 Mo2 1.919(3) .
O10 Mo4 2.107(3) 3_575
O10 Mo1 2.203(3) .
O11 Mo3 1.708(3) .
O12 Mo2 1.941(3) .
O12 Mo3 1.971(3) .
O13 Mo4 1.711(3) .
Mo1 O3 2.453(3) 3_575
Mo2 O5 2.371(3) 3_575
Mo3 O4 2.273(3) 3_575
Mo4 O10 2.107(3) 3_575
Mo4 O4 2.273(3) 3_575
C7 N4 1.330(6) .
C7 N3 1.333(6) .
C7 H7 0.9300 .
C8 C9 1.352(6) .
C8 N3 1.367(6) .
C8 H8 0.9300 .
C9 N4 1.377(5) .
C9 H9 0.9300 .
C10 N4 1.481(5) .
C10 C11 1.512(6) .
C10 C12 1.524(6) .
C10 H10 0.9800 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.354(6) .
C13 N6 1.388(5) .
C13 H13 0.9300 .
C14 N5 1.360(6) .
C14 H14 0.9300 .
C15 N6 1.326(6) .
C15 N5 1.336(5) .
C15 H15 0.9300 .
C16 N6 1.495(5) .
C16 C17 1.516(6) .
C16 C18 1.522(6) .
C16 H16 0.9800 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
