#------------------------------------------------------------------------------
#$Date: 2019-11-17 08:46:00 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228930 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/95/7229565.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_7229565
loop_
_publ_author_name
'Wang, Xiu-Li'
'Song, Ge'
'Lin, Hong-Yan'
'Wang, Xiang'
'Liu, Guo-Cheng'
'Rong, Xing'
_publ_section_title
;
 Solvent-controlled synthesis of various Anderson-type
 polyoxometalate-based metal--organic complexes with excellent capacity
 for the chromatographic separation of dyes
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              51
_journal_paper_doi               10.1039/C7CE01092C
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C24 H52 Cl Cr Cu3 Mo6 N6 O45'
_chemical_formula_weight         1998.42
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-11-10 deposited with the CCDC.
2017-11-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 117.9220(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.323(2)
_cell_length_b                   9.8415(9)
_cell_length_c                   25.627(3)
_cell_measurement_reflns_used    3446
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.55
_cell_measurement_theta_min      2.26
_cell_volume                     5866.0(10)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Olex2 (Dolomanov et al., 2009)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_av_unetI/netI     0.0514
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            16311
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.844
_diffrn_reflns_theta_min         1.751
_exptl_absorpt_coefficient_mu    2.638
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6417
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0491 before and 0.0362 after correction. The Ratio of minimum to maximum transmission is 0.8610. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.263
_exptl_crystal_description       block
_exptl_crystal_F_000             3912
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.092
_refine_diff_density_min         -0.794
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         5652
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0659
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0477P)²+11.3172P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.1000
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4118
_reflns_number_total             5652
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ce01092c2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7229561--7229565.cif.'
_cod_original_cell_volume        5865.9(11)
_cod_database_code               7229565
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.648
_shelx_estimated_absorpt_t_max   0.817
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Mo1 Mo 0.50190(2) 0.73479(5) 0.40692(2) 0.02515(14) Uani 1 1 d . . .
Mo2 Mo 0.61569(2) 0.69709(5) 0.53807(2) 0.02482(14) Uani 1 1 d . . .
Mo3 Mo 0.61282(2) 0.46566(5) 0.63277(2) 0.02457(14) Uani 1 1 d . . .
Cu1 Cu 0.5000 0.73031(11) 0.2500 0.0305(3) Uani 1 2 d S T P
Cu2 Cu 0.71451(3) 0.22661(8) 0.60932(3) 0.03118(19) Uani 1 1 d . . .
Cr1 Cr 0.5000 0.5000 0.5000 0.0180(3) Uani 1 2 d S . P
Cl1 Cl 0.5000 0.9623(3) 0.2500 0.0716(9) Uani 1 2 d S T P
O1 O 0.76073(19) 0.4810(5) 0.41852(19) 0.0423(11) Uani 1 1 d . . .
O1W O 0.5000 0.5200(7) 0.2500 0.0560(19) Uani 1 2 d S T P
H1WA H 0.5358 0.4851 0.2673 0.084 Uiso 0.5 1 d R U P
H1WB H 0.4855 0.4851 0.2133 0.084 Uiso 0.5 1 d R U P
O2 O 0.65483(18) 0.3667(5) 0.44625(19) 0.0404(11) Uani 1 1 d . . .
O2W O 0.77066(19) 0.1780(5) 0.69056(19) 0.0473(12) Uani 1 1 d . . .
H2WA H 0.7923 0.2468 0.7077 0.071 Uiso 1 1 d R U .
H2WB H 0.7943 0.1178 0.6903 0.071 Uiso 1 1 d R U .
O3 O 0.65894(16) 0.2758(4) 0.52770(18) 0.0309(10) Uani 1 1 d . . .
O3W O 0.65715(16) 0.1104(4) 0.61701(18) 0.0341(10) Uani 1 1 d . . .
H3WA H 0.6442 0.0488 0.5895 0.051 Uiso 1 1 d R U .
H3WB H 0.6269 0.1576 0.6099 0.051 Uiso 1 1 d R U .
O4 O 0.68018(16) 0.4098(4) 0.64761(17) 0.0345(10) Uani 1 1 d . . .
O5 O 0.61588(19) 0.4935(4) 0.69925(18) 0.0391(11) Uani 1 1 d . . .
O6 O 0.61548(16) 0.6522(4) 0.61158(16) 0.0276(9) Uani 1 1 d . . .
O7 O 0.51630(15) 0.4905(4) 0.58329(15) 0.0216(8) Uani 1 1 d . . .
H7 H 0.4988 0.5594 0.5975 0.026 Uiso 1 1 calc R U .
O8 O 0.68201(16) 0.6420(5) 0.55081(18) 0.0388(11) Uani 1 1 d . . .
O9 O 0.62111(19) 0.8682(4) 0.5473(2) 0.0418(11) Uani 1 1 d . . .
O10 O 0.58048(16) 0.6813(4) 0.45312(16) 0.0274(9) Uani 1 1 d . . .
O11 O 0.51735(16) 0.6954(4) 0.50079(16) 0.0238(8) Uani 1 1 d . . .
H11 H 0.5003 0.7585 0.5178 0.029 Uiso 1 1 calc R U .
O12 O 0.41666(14) 0.5242(4) 0.46738(15) 0.0211(8) Uani 1 1 d . . .
H12 H 0.4026 0.5936 0.4849 0.025 Uiso 1 1 calc R U .
O13 O 0.50645(19) 0.9057(4) 0.4167(2) 0.0421(11) Uani 1 1 d . . .
O14 O 0.42230(16) 0.7149(4) 0.38771(17) 0.0266(9) Uani 1 1 d . . .
O15 O 0.49767(17) 0.7072(5) 0.33950(17) 0.0365(10) Uani 1 1 d . . .
N1 N 0.5863(2) 0.7281(5) 0.2933(2) 0.0320(12) Uani 1 1 d . . .
N2 N 0.7039(2) 0.6231(5) 0.4362(2) 0.0328(12) Uani 1 1 d . . .
H2 H 0.6955 0.6558 0.4624 0.039 Uiso 1 1 calc R U .
N3 N 0.7665(2) 0.3464(5) 0.5923(2) 0.0290(11) Uani 1 1 d . . .
C1 C 0.6161(2) 0.6769(6) 0.3483(3) 0.0303(14) Uani 1 1 d . . .
H1 H 0.5960 0.6422 0.3670 0.036 Uiso 1 1 calc R U .
C2 C 0.6162(3) 0.7769(7) 0.2672(3) 0.0372(16) Uani 1 1 d . . .
H2A H 0.5961 0.8143 0.2296 0.045 Uiso 1 1 calc R U .
C3 C 0.6752(3) 0.7743(7) 0.2934(3) 0.0426(17) Uani 1 1 d . . .
H3 H 0.6943 0.8073 0.2733 0.051 Uiso 1 1 calc R U .
C4 C 0.7056(3) 0.7225(7) 0.3495(3) 0.0356(15) Uani 1 1 d . . .
H4 H 0.7456 0.7198 0.3680 0.043 Uiso 1 1 calc R U .
C5 C 0.6754(2) 0.6743(6) 0.3779(2) 0.0269(13) Uani 1 1 d . . .
C6 C 0.7438(2) 0.5246(6) 0.4518(3) 0.0295(14) Uani 1 1 d . . .
C7 C 0.7697(2) 0.4753(6) 0.5147(3) 0.0281(13) Uani 1 1 d . . .
C8 C 0.8264(3) 0.5096(6) 0.5527(3) 0.0373(15) Uani 1 1 d . . .
H8 H 0.8472 0.5626 0.5394 0.045 Uiso 1 1 calc R U .
C9 C 0.8513(3) 0.4655(7) 0.6095(3) 0.0418(16) Uani 1 1 d . . .
H9 H 0.8890 0.4896 0.6355 0.050 Uiso 1 1 calc R U .
C10 C 0.8203(3) 0.3845(7) 0.6285(3) 0.0393(16) Uani 1 1 d . . .
H10 H 0.8375 0.3558 0.6676 0.047 Uiso 1 1 calc R U .
C11 C 0.7411(2) 0.3918(6) 0.5359(2) 0.0264(13) Uani 1 1 d . . .
C12 C 0.6802(2) 0.3415(6) 0.4993(3) 0.0285(13) Uani 1 1 d . . .
O4W O 0.7376(3) -0.0136(7) 0.7367(3) 0.093(2) Uani 1 1 d G . .
H4WA H 0.7667 -0.0477 0.7660 0.140 Uiso 1 1 d G U .
H4WB H 0.7125 -0.0750 0.7198 0.140 Uiso 1 1 d G U .
O5W O 0.6425(4) -0.1741(8) 0.7052(3) 0.127(3) Uani 1 1 d . . .
O6W O 0.6127(6) 0.6291(15) 0.7957(7) 0.107(5) Uani 0.5 1 d . . P
O7W O 0.4644(3) 0.6344(6) 0.6333(3) 0.0750(18) Uani 1 1 d G . .
H7WA H 0.4323 0.6596 0.6052 0.113 Uiso 1 1 d G U .
H7WB H 0.4807 0.7078 0.6504 0.113 Uiso 1 1 d G U .
O8W O 0.5294(6) 0.8766(12) 0.6722(5) 0.091(4) Uani 0.5 1 d . . P
O9W O 0.4527(3) 0.8476(7) 0.5296(4) 0.090(2) Uani 1 1 d G . .
H9WA H 0.4522 0.9220 0.5462 0.135 Uiso 1 1 d G U .
H9WB H 0.4191 0.8134 0.5131 0.135 Uiso 1 1 d G 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
O13 Mo1 O15 106.0(2) . .
O13 Mo1 O10 101.54(19) . .
O15 Mo1 O10 97.03(17) . .
O13 Mo1 O14 97.55(19) . .
O15 Mo1 O14 100.28(18) . .
O10 Mo1 O14 149.54(16) . .
O13 Mo1 O11 92.71(18) . .
O15 Mo1 O11 160.15(18) . .
O10 Mo1 O11 72.13(14) . .
O14 Mo1 O11 83.53(14) . .
O13 Mo1 O7 160.17(17) . 5_666
O15 Mo1 O7 92.24(17) . 5_666
O10 Mo1 O7 83.57(15) . 5_666
O14 Mo1 O7 70.95(14) . 5_666
O11 Mo1 O7 70.43(12) . 5_666
O9 Mo2 O8 106.1(2) . .
O9 Mo2 O10 101.63(19) . .
O8 Mo2 O10 95.62(18) . .
O9 Mo2 O6 97.39(19) . .
O8 Mo2 O6 102.12(18) . .
O10 Mo2 O6 149.21(16) . .
O9 Mo2 O11 94.00(17) . .
O8 Mo2 O11 158.08(18) . .
O10 Mo2 O11 71.27(14) . .
O6 Mo2 O11 83.53(14) . .
O9 Mo2 O12 160.87(17) . 5_666
O8 Mo2 O12 91.56(18) . 5_666
O10 Mo2 O12 83.56(15) . 5_666
O6 Mo2 O12 71.12(14) . 5_666
O11 Mo2 O12 70.02(12) . 5_666
O5 Mo3 O4 105.7(2) . .
O5 Mo3 O6 97.97(18) . .
O4 Mo3 O6 101.39(18) . .
O5 Mo3 O14 102.20(19) . 5_666
O4 Mo3 O14 94.43(18) . 5_666
O6 Mo3 O14 149.88(16) . 5_666
O5 Mo3 O7 93.36(17) . .
O4 Mo3 O7 158.48(16) . .
O6 Mo3 O7 85.32(14) . .
O14 Mo3 O7 71.47(14) 5_666 .
O5 Mo3 O12 161.07(17) . 5_666
O4 Mo3 O12 91.99(16) . 5_666
O6 Mo3 O12 71.52(14) . 5_666
O14 Mo3 O12 82.56(14) 5_666 5_666
O7 Mo3 O12 70.57(12) . 5_666
N1 Cu1 N1 178.7(3) . 2_655
N1 Cu1 O1W 89.37(15) . .
N1 Cu1 O1W 89.37(15) 2_655 .
N1 Cu1 Cl1 90.63(15) . .
N1 Cu1 Cl1 90.63(15) 2_655 .
O1W Cu1 Cl1 180.0 . .
N1 Cu1 O15 89.91(16) . 2_655
N1 Cu1 O15 89.96(16) 2_655 2_655
O1W Cu1 O15 84.42(11) . 2_655
Cl1 Cu1 O15 95.58(11) . 2_655
N1 Cu1 O15 89.97(17) . .
N1 Cu1 O15 89.91(16) 2_655 .
O1W Cu1 O15 84.42(11) . .
Cl1 Cu1 O15 95.58(11) . .
O15 Cu1 O15 168.8(2) 2_655 .
O2W Cu2 O3 179.35(18) . .
O2W Cu2 O3W 89.10(18) . .
O3 Cu2 O3W 91.50(17) . .
O2W Cu2 N3 97.0(2) . .
O3 Cu2 N3 82.40(18) . .
O3W Cu2 N3 173.84(18) . .
O2W Cu2 O1 86.12(19) . 7_656
O3 Cu2 O1 93.72(16) . 7_656
O3W Cu2 O1 81.99(16) . 7_656
N3 Cu2 O1 97.49(17) . 7_656
O2W Cu2 O4 89.44(18) . .
O3 Cu2 O4 90.85(15) . .
O3W Cu2 O4 86.73(16) . .
N3 Cu2 O4 94.18(17) . .
O1 Cu2 O4 167.94(15) 7_656 .
O12 Cr1 O12 180.0(2) . 5_666
O12 Cr1 O7 84.26(14) . 5_666
O12 Cr1 O7 95.75(14) 5_666 5_666
O12 Cr1 O7 95.74(14) . .
O12 Cr1 O7 84.26(14) 5_666 .
O7 Cr1 O7 180.0 5_666 .
O12 Cr1 O11 95.35(15) . .
O12 Cr1 O11 84.65(15) 5_666 .
O7 Cr1 O11 84.09(15) 5_666 .
O7 Cr1 O11 95.91(15) . .
O12 Cr1 O11 84.65(15) . 5_666
O12 Cr1 O11 95.35(15) 5_666 5_666
O7 Cr1 O11 95.91(15) 5_666 5_666
O7 Cr1 O11 84.09(15) . 5_666
O11 Cr1 O11 180.0 . 5_666
C6 O1 Cu2 140.0(4) . 7_656
C12 O3 Cu2 115.0(4) . .
Mo3 O4 Cu2 133.7(2) . .
Mo3 O6 Mo2 120.57(19) . .
Cr1 O7 Mo3 103.30(14) . .
Cr1 O7 Mo1 102.25(15) . 5_666
Mo3 O7 Mo1 94.09(13) . 5_666
Mo1 O10 Mo2 118.95(19) . .
Cr1 O11 Mo1 103.24(15) . .
Cr1 O11 Mo2 102.77(15) . .
Mo1 O11 Mo2 92.70(13) . .
Cr1 O12 Mo3 101.86(14) . 5_666
Cr1 O12 Mo2 102.57(15) . 5_666
Mo3 O12 Mo2 92.91(13) 5_666 5_666
Mo1 O14 Mo3 118.78(18) . 5_666
Mo1 O15 Cu1 164.5(3) . .
C2 N1 C1 117.7(5) . .
C2 N1 Cu1 119.9(4) . .
C1 N1 Cu1 122.4(4) . .
C6 N2 C5 121.6(5) . .
C10 N3 C11 118.9(5) . .
C10 N3 Cu2 128.8(4) . .
C11 N3 Cu2 112.3(4) . .
N1 C1 C5 122.4(5) . .
N1 C2 C3 123.0(6) . .
C2 C3 C4 119.3(6) . .
C3 C4 C5 118.5(6) . .
C1 C5 C4 119.0(5) . .
C1 C5 N2 119.3(5) . .
C4 C5 N2 121.7(5) . .
O1 C6 N2 122.7(6) . .
O1 C6 C7 120.4(5) . .
N2 C6 C7 116.7(5) . .
C11 C7 C8 118.1(6) . .
C11 C7 C6 123.6(5) . .
C8 C7 C6 118.3(5) . .
C9 C8 C7 119.8(6) . .
C8 C9 C10 119.5(6) . .
N3 C10 C9 121.9(6) . .
N3 C11 C7 121.8(5) . .
N3 C11 C12 113.9(5) . .
C7 C11 C12 124.3(5) . .
O2 C12 O3 125.1(6) . .
O2 C12 C11 119.4(5) . .
O3 C12 C11 115.4(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O13 1.697(4) .
Mo1 O15 1.700(4) .
Mo1 O10 1.914(4) .
Mo1 O14 1.925(4) .
Mo1 O11 2.277(4) .
Mo1 O7 2.307(4) 5_666
Mo2 O9 1.697(4) .
Mo2 O8 1.707(4) .
Mo2 O10 1.932(4) .
Mo2 O6 1.937(4) .
Mo2 O11 2.302(4) .
Mo2 O12 2.319(4) 5_666
Mo3 O5 1.690(4) .
Mo3 O4 1.721(4) .
Mo3 O6 1.925(4) .
Mo3 O14 1.958(4) 5_666
Mo3 O7 2.259(3) .
Mo3 O12 2.310(3) 5_666
Cu1 N1 2.007(5) .
Cu1 N1 2.007(5) 2_655
Cu1 O1W 2.070(7) .
Cu1 Cl1 2.283(3) .
Cu1 O15 2.334(4) 2_655
Cu1 O15 2.334(4) .
Cu2 O2W 1.966(4) .
Cu2 O3 1.971(4) .
Cu2 O3W 1.976(4) .
Cu2 N3 2.003(5) .
Cu2 O1 2.355(4) 7_656
Cu2 O4 2.420(4) .
Cr1 O12 1.962(3) .
Cr1 O12 1.962(3) 5_666
Cr1 O7 1.973(3) 5_666
Cr1 O7 1.973(3) .
Cr1 O11 1.974(4) .
Cr1 O11 1.974(4) 5_666
O1 C6 1.211(7) .
O1 Cu2 2.355(4) 7_656
O2 C12 1.226(7) .
O3 C12 1.282(7) .
O7 Mo1 2.307(4) 5_666
O12 Mo3 2.310(3) 5_666
O12 Mo2 2.319(3) 5_666
O14 Mo3 1.958(4) 5_666
N1 C2 1.338(7) .
N1 C1 1.350(7) .
N2 C6 1.345(7) .
N2 C5 1.415(7) .
N3 C10 1.333(7) .
N3 C11 1.354(7) .
C1 C5 1.380(8) .
C2 C3 1.374(8) .
C3 C4 1.375(9) .
C4 C5 1.390(8) .
C6 C7 1.506(8) .
C7 C11 1.388(8) .
C7 C8 1.388(8) .
C8 C9 1.358(9) .
C9 C10 1.381(9) .
C11 C12 1.512(8) .
