#------------------------------------------------------------------------------
#$Date: 2016-10-11 09:30:21 +0300 (Tue, 11 Oct 2016) $
#$Revision: 187258 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/67/7226777.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_7226777
loop_
_publ_author_name
'Luo, Hai Qiang'
'Zhang, Pan'
'Yang, Yong Xi'
'Gong, Yun'
'Lin, Jianhua'
_publ_section_title
;
 Two Polymolybdate-Based Complexes and Their Graphene Composites with
 Visible-Light Photo-Responses
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA19805H
_journal_year                    2016
_chemical_formula_sum            'C40 H48 Mo8 N24 O32'
_chemical_formula_weight         2144.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-11-01 deposited with the CCDC.
2016-10-10 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 93.849(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.6099(14)
_cell_length_b                   14.2716(11)
_cell_length_c                   26.463(3)
_cell_measurement_reflns_used    6635
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.1695
_cell_measurement_theta_min      2.8545
_cell_volume                     6258.9(10)
_computing_cell_refinement       'CrysAlisPro, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlisPro, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlisPro, Oxford Diffraction Ltd.'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford XCalibur Eos'
_diffrn_measurement_method       '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  0.0313
_diffrn_reflns_av_unetI/netI     0.0374
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            15363
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    1.662
_exptl_absorpt_correction_T_max  0.78
_exptl_absorpt_correction_T_min  0.68
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.276
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4192
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.417
_refine_diff_density_min         -0.729
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         5494
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0307
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0251P)²+32.7289P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0645
_refine_ls_wR_factor_ref         0.0734
_reflns_number_gt                4379
_reflns_number_total             5494
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ra19805h2.cif
_cod_data_source_block           140410d
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_cell_volume        6259.0(9)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7226777
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mo1 Mo 0.53822(2) 0.66322(3) 0.368433(15) 0.01933(11) Uani 1 1 d .
Mo2 Mo 0.72516(2) 0.61549(3) 0.408482(15) 0.01835(11) Uani 1 1 d .
Mo3 Mo 0.67111(2) 0.80642(3) 0.468789(15) 0.01852(11) Uani 1 1 d .
Mo4 Mo 0.49946(3) 0.89796(3) 0.318034(16) 0.02393(11) Uani 1 1 d .
N1 N 0.6545(2) 0.6726(3) 0.26355(15) 0.0261(10) Uani 1 1 d .
N2 N 0.6105(2) 0.7156(3) 0.29684(15) 0.0248(9) Uani 1 1 d .
N3 N 0.5784(2) 0.7922(3) 0.27662(15) 0.0240(9) Uani 1 1 d .
N4 N 0.6001(2) 0.8009(3) 0.22970(15) 0.0243(9) Uani 1 1 d .
H4 H 0.5867 0.8449 0.2086 0.029 Uiso 1 1 calc R
N5 N 0.8255(2) 0.6800(3) 0.04817(16) 0.0292(10) Uani 1 1 d .
N6 N 0.8970(3) 0.6191(4) -0.0080(2) 0.0482(13) Uani 1 1 d .
H6 H 0.9200 0.5782 -0.0261 0.058 Uiso 1 1 calc R
N7 N 0.6183(2) 0.6500(3) 0.50901(14) 0.0196(9) Uani 1 1 d .
N8 N 0.6453(2) 0.5795(3) 0.48086(14) 0.0216(9) Uani 1 1 d .
N9 N 0.6250(2) 0.4980(3) 0.49782(16) 0.0267(10) Uani 1 1 d .
N10 N 0.5838(2) 0.5164(3) 0.53805(15) 0.0271(10) Uani 1 1 d .
H10 H 0.5631 0.4749 0.5568 0.033 Uiso 1 1 calc R
N11 N 0.4118(2) 0.7624(3) 0.70534(15) 0.0271(10) Uani 1 1 d .
N12 N 0.3447(3) 0.7658(4) 0.77266(16) 0.0374(11) Uani 1 1 d .
O1 O 0.63895(17) 0.7321(2) 0.41284(11) 0.0188(7) Uani 1 1 d .
O2 O 0.62883(18) 0.5757(2) 0.37186(12) 0.0211(7) Uani 1 1 d .
O3 O 0.49930(19) 0.7875(2) 0.35956(12) 0.0229(7) Uani 1 1 d .
O4 O 0.49065(19) 0.6312(2) 0.42218(13) 0.0269(8) Uani 1 1 d .
O5 O 0.4839(2) 0.6051(2) 0.32198(14) 0.0330(9) Uani 1 1 d .
O6 O 0.76725(17) 0.6988(2) 0.46460(11) 0.0196(7) Uani 1 1 d .
O7 O 0.7815(2) 0.6578(3) 0.36216(12) 0.0318(9) Uani 1 1 d .
O8 O 0.7694(2) 0.5116(2) 0.42505(13) 0.0327(9) Uani 1 1 d .
O9 O 0.5843(2) 0.8528(2) 0.48830(13) 0.0326(9) Uani 1 1 d .
O10 O 0.7175(2) 0.8981(2) 0.44159(13) 0.0293(8) Uani 1 1 d .
O11 O 0.5839(2) 0.9523(3) 0.34366(14) 0.0389(9) Uani 1 1 d .
O12 O 0.4216(2) 0.9618(2) 0.33979(13) 0.0349(9) Uani 1 1 d .
O13 O 0.5000 0.9452(3) 0.2500 0.0276(11) Uani 1 2 d S
O14 O 0.5331(3) 0.9821(3) 0.56051(17) 0.0591(12) Uani 1 1 d .
H14C H 0.5575 0.9399 0.5449 0.071 Uiso 1 1 d R
H14D H 0.5561 0.9885 0.5900 0.071 Uiso 1 1 d R
O15 O 0.7226(3) 0.4798(3) 0.2808(2) 0.0861(17) Uani 1 1 d .
H15C H 0.7033 0.5342 0.2753 0.103 Uiso 1 1 d R
H15D H 0.7267 0.4528 0.2525 0.103 Uiso 1 1 d R
O16 O 0.5000 0.4565(5) 0.2500 0.106(3) Uani 1 2 d S
H16C H 0.4943 0.4915 0.2755 0.127 Uiso 1 1 d R
O17 O 0.7601(3) 0.8752(4) 0.3242(2) 0.0859(18) Uani 1 1 d .
H17C H 0.7865 0.8280 0.3147 0.103 Uiso 1 1 d R
H17D H 0.7542 0.8704 0.3557 0.103 Uiso 1 1 d R
C1 C 0.6472(3) 0.7269(3) 0.22203(19) 0.0241(11) Uani 1 1 d .
C2 C 0.6892(3) 0.7125(4) 0.17548(18) 0.0267(11) Uani 1 1 d .
C3 C 0.7062(3) 0.7881(4) 0.1455(2) 0.0322(12) Uani 1 1 d .
H3 H 0.6878 0.8472 0.1540 0.039 Uiso 1 1 calc R
C4 C 0.7495(3) 0.7782(4) 0.1034(2) 0.0337(13) Uani 1 1 d .
H4A H 0.7605 0.8300 0.0837 0.040 Uiso 1 1 calc R
C5 C 0.7767(3) 0.6899(3) 0.09048(19) 0.0248(11) Uani 1 1 d .
C6 C 0.7578(3) 0.6130(4) 0.1186(2) 0.0387(14) Uani 1 1 d .
H6A H 0.7747 0.5536 0.1095 0.046 Uiso 1 1 calc R
C7 C 0.7131(3) 0.6249(4) 0.1609(2) 0.0359(13) Uani 1 1 d .
H7A H 0.6993 0.5728 0.1796 0.043 Uiso 1 1 calc R
C8 C 0.8512(4) 0.5999(4) 0.0290(2) 0.0462(16) Uani 1 1 d .
H8 H 0.8387 0.5401 0.0401 0.055 Uiso 1 1 calc R
C9 C 0.9024(3) 0.7130(4) -0.0135(2) 0.0399(14) Uani 1 1 d .
H9A H 0.9316 0.7445 -0.0371 0.048 Uiso 1 1 calc R
C10 C 0.8584(3) 0.7517(4) 0.0208(2) 0.0355(13) Uani 1 1 d .
H10A H 0.8509 0.8155 0.0258 0.043 Uiso 1 1 calc R
C11 C 0.5792(3) 0.6100(3) 0.54512(18) 0.0229(11) Uani 1 1 d .
C12 C 0.5356(3) 0.6527(4) 0.58563(18) 0.0248(11) Uani 1 1 d .
C13 C 0.5471(3) 0.7441(4) 0.5999(2) 0.0345(13) Uani 1 1 d .
H13 H 0.5833 0.7812 0.5835 0.041 Uiso 1 1 calc R
C14 C 0.5050(3) 0.7821(4) 0.6389(2) 0.0358(13) Uani 1 1 d .
H14 H 0.5125 0.8445 0.6483 0.043 Uiso 1 1 calc R
C15 C 0.4526(3) 0.7269(4) 0.66307(19) 0.0264(11) Uani 1 1 d .
C16 C 0.4359(3) 0.6369(4) 0.6464(2) 0.0387(14) Uani 1 1 d .
H16 H 0.3968 0.6015 0.6612 0.046 Uiso 1 1 calc R
C17 C 0.4774(3) 0.5998(4) 0.6076(2) 0.0383(14) Uani 1 1 d .
H17 H 0.4663 0.5392 0.5963 0.046 Uiso 1 1 calc R
C18 C 0.3733(3) 0.7109(4) 0.7384(2) 0.0346(13) Uani 1 1 d .
H18 H 0.3677 0.6461 0.7373 0.042 Uiso 1 1 calc R
C19 C 0.3644(4) 0.8558(4) 0.7623(2) 0.0461(16) Uani 1 1 d .
H19 H 0.3514 0.9086 0.7808 0.055 Uiso 1 1 calc R
C20 C 0.4063(3) 0.8547(4) 0.7202(2) 0.0412(15) Uani 1 1 d .
H20 H 0.4275 0.9064 0.7043 0.049 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 0.0000 0.0000 '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'
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
O5 Mo1 O4 102.49(17) . .
O5 Mo1 O3 101.99(15) . .
O4 Mo1 O3 100.23(14) . .
O5 Mo1 O2 95.27(15) . .
O4 Mo1 O2 100.69(14) . .
O3 Mo1 O2 149.18(13) . .
O5 Mo1 O1 162.19(15) . .
O4 Mo1 O1 92.94(14) . .
O3 Mo1 O1 83.67(12) . .
O2 Mo1 O1 72.90(12) . .
O5 Mo1 N2 81.48(16) . .
O4 Mo1 N2 176.00(15) . .
O3 Mo1 N2 78.32(14) . .
O2 Mo1 N2 79.24(13) . .
O1 Mo1 N2 83.20(12) . .
O8 Mo2 O7 104.25(17) . .
O8 Mo2 O2 101.88(15) . .
O7 Mo2 O2 102.89(15) . .
O8 Mo2 O6 101.77(15) . .
O7 Mo2 O6 98.23(15) . .
O2 Mo2 O6 143.09(13) . .
O8 Mo2 O1 156.47(14) . .
O7 Mo2 O1 99.23(15) . .
O2 Mo2 O1 74.00(12) . .
O6 Mo2 O1 72.97(11) . .
O8 Mo2 N8 82.14(15) . .
O7 Mo2 N8 170.99(15) . .
O2 Mo2 N8 81.66(13) . .
O6 Mo2 N8 74.00(12) . .
O1 Mo2 N8 74.35(12) . .
O9 Mo3 O10 104.28(17) . .
O9 Mo3 O1 105.00(15) . .
O10 Mo3 O1 102.40(15) . .
O9 Mo3 O6 98.20(15) . 7_666
O10 Mo3 O6 100.58(14) . 7_666
O1 Mo3 O6 141.89(13) . 7_666
O9 Mo3 O6 155.72(15) . .
O10 Mo3 O6 99.38(14) . .
O1 Mo3 O6 74.72(12) . .
O6 Mo3 O6 71.84(13) 7_666 .
O11 Mo4 O12 104.13(18) . .
O11 Mo4 O3 100.29(16) . .
O12 Mo4 O3 102.35(15) . .
O11 Mo4 O13 99.08(14) . .
O12 Mo4 O13 100.34(15) . .
O3 Mo4 O13 145.40(16) . .
O11 Mo4 N3 90.48(17) . .
O12 Mo4 N3 165.31(16) . .
O3 Mo4 N3 76.06(13) . .
O13 Mo4 N3 75.39(14) . .
O11 Mo4 N4 167.12(16) . 2_655
O12 Mo4 N4 88.57(15) . 2_655
O3 Mo4 N4 78.68(13) . 2_655
O13 Mo4 N4 76.13(13) . 2_655
N3 Mo4 N4 76.77(13) . 2_655
N2 N1 C1 104.6(4) . .
N3 N2 N1 109.9(4) . .
N3 N2 Mo1 111.4(3) . .
N1 N2 Mo1 134.1(3) . .
N2 N3 N4 109.4(4) . .
N2 N3 Mo4 125.1(3) . .
N4 N3 Mo4 125.5(3) . .
N3 N4 C1 105.5(4) . .
N3 N4 Mo4 108.8(3) . 2_655
C1 N4 Mo4 138.7(3) . 2_655
N3 N4 H4 127.3 . .
C1 N4 H4 127.3 . .
Mo4 N4 H4 27.6 2_655 .
C8 N5 C10 106.6(5) . .
C8 N5 C5 126.5(4) . .
C10 N5 C5 126.7(4) . .
C8 N6 C9 109.6(5) . .
C8 N6 H6 125.2 . .
C9 N6 H6 125.2 . .
C11 N7 N8 105.9(4) . .
N9 N8 N7 112.0(4) . .
N9 N8 Mo2 128.5(3) . .
N7 N8 Mo2 119.5(3) . .
N8 N9 N10 105.0(4) . .
N9 N10 C11 110.1(4) . .
N9 N10 H10 125.0 . .
C11 N10 H10 125.0 . .
C18 N11 C20 107.1(4) . .
C18 N11 C15 125.9(4) . .
C20 N11 C15 127.0(4) . .
C18 N12 C19 108.8(5) . .
Mo3 O1 Mo2 108.53(13) . .
Mo3 O1 Mo1 147.06(16) . .
Mo2 O1 Mo1 96.21(12) . .
Mo2 O2 Mo1 116.88(16) . .
Mo1 O3 Mo4 145.51(18) . .
Mo3 O6 Mo2 140.91(17) 7_666 .
Mo3 O6 Mo3 108.16(13) 7_666 .
Mo2 O6 Mo3 103.42(12) . .
Mo4 O13 Mo4 139.0(3) 2_655 .
H14C O14 H14D 108.9 . .
H15C O15 H15D 108.4 . .
H17C O17 H17D 108.8 . .
N4 C1 N1 110.7(4) . .
N4 C1 C2 123.5(4) . .
N1 C1 C2 125.7(4) . .
C7 C2 C3 118.4(5) . .
C7 C2 C1 121.7(5) . .
C3 C2 C1 120.0(5) . .
C4 C3 C2 121.7(5) . .
C4 C3 H3 119.2 . .
C2 C3 H3 119.2 . .
C3 C4 C5 119.3(5) . .
C3 C4 H4A 120.4 . .
C5 C4 H4A 120.4 . .
C6 C5 C4 120.2(5) . .
C6 C5 N5 120.3(5) . .
C4 C5 N5 119.5(5) . .
C5 C6 C7 119.4(5) . .
C5 C6 H6A 120.3 . .
C7 C6 H6A 120.3 . .
C2 C7 C6 121.0(5) . .
C2 C7 H7A 119.5 . .
C6 C7 H7A 119.5 . .
N6 C8 N5 108.8(5) . .
N6 C8 H8 125.6 . .
N5 C8 H8 125.6 . .
C10 C9 N6 107.1(5) . .
C10 C9 H9A 126.4 . .
N6 C9 H9A 126.4 . .
C9 C10 N5 107.8(5) . .
C9 C10 H10A 126.1 . .
N5 C10 H10A 126.1 . .
N7 C11 N10 107.0(4) . .
N7 C11 C12 129.8(4) . .
N10 C11 C12 123.2(4) . .
C13 C12 C17 119.5(5) . .
C13 C12 C11 122.1(4) . .
C17 C12 C11 118.3(5) . .
C12 C13 C14 120.4(5) . .
C12 C13 H13 119.8 . .
C14 C13 H13 119.8 . .
C15 C14 C13 119.3(5) . .
C15 C14 H14 120.3 . .
C13 C14 H14 120.3 . .
C14 C15 C16 120.6(5) . .
C14 C15 N11 120.7(5) . .
C16 C15 N11 118.7(4) . .
C17 C16 C15 119.7(5) . .
C17 C16 H16 120.1 . .
C15 C16 H16 120.1 . .
C16 C17 C12 120.0(5) . .
C16 C17 H17 120.0 . .
C12 C17 H17 120.0 . .
N12 C18 N11 109.6(5) . .
N12 C18 H18 125.2 . .
N11 C18 H18 125.2 . .
C20 C19 N12 107.4(5) . .
C20 C19 H19 126.3 . .
N12 C19 H19 126.3 . .
C19 C20 N11 107.1(5) . .
C19 C20 H20 126.5 . .
N11 C20 H20 126.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O5 1.693(3) .
Mo1 O4 1.734(3) .
Mo1 O3 1.897(3) .
Mo1 O2 1.953(3) .
Mo1 O1 2.209(3) .
Mo1 N2 2.428(4) .
Mo2 O8 1.699(3) .
Mo2 O7 1.701(3) .
Mo2 O2 1.901(3) .
Mo2 O6 1.992(3) .
Mo2 O1 2.203(3) .
Mo2 N8 2.456(4) .
Mo3 O9 1.698(3) .
Mo3 O10 1.702(3) .
Mo3 O1 1.870(3) .
Mo3 O6 1.980(3) 7_666
Mo3 O6 2.224(3) .
Mo4 O11 1.703(4) .
Mo4 O12 1.713(3) .
Mo4 O3 1.921(3) .
Mo4 O13 1.9230(16) .
Mo4 N3 2.322(4) .
Mo4 N4 2.443(4) 2_655
N1 N2 1.332(5) .
N1 C1 1.343(6) .
N2 N3 1.314(5) .
N3 N4 1.322(5) .
N4 C1 1.338(6) .
N4 Mo4 2.443(4) 2_655
N4 H4 0.8600 .
N5 C8 1.332(7) .
N5 C10 1.387(7) .
N5 C5 1.433(6) .
N6 C8 1.309(7) .
N6 C9 1.351(7) .
N6 H6 0.8600 .
N7 C11 1.321(6) .
N7 N8 1.347(5) .
N8 N9 1.299(5) .
N9 N10 1.330(5) .
N10 C11 1.351(6) .
N10 H10 0.8600 .
N11 C18 1.338(6) .
N11 C20 1.379(7) .
N11 C15 1.439(6) .
N12 C18 1.312(7) .
N12 C19 1.358(8) .
O6 Mo3 1.980(3) 7_666
O13 Mo4 1.9230(16) 2_655
O14 H14C 0.8499 .
O14 H14D 0.8499 .
O15 H15C 0.8500 .
O15 H15D 0.8500 .
O16 H16C 0.8500 .
O17 H17C 0.8500 .
O17 H17D 0.8500 .
C1 C2 1.470(7) .
C2 C7 1.374(7) .
C2 C3 1.381(7) .
C3 C4 1.374(7) .
C3 H3 0.9300 .
C4 C5 1.388(7) .
C4 H4A 0.9300 .
C5 C6 1.373(7) .
C6 C7 1.395(7) .
C6 H6A 0.9300 .
C7 H7A 0.9300 .
C8 H8 0.9300 .
C9 C10 1.326(8) .
C9 H9A 0.9300 .
C10 H10A 0.9300 .
C11 C12 1.467(7) .
C12 C13 1.368(7) .
C12 C17 1.386(7) .
C13 C14 1.396(7) .
C13 H13 0.9300 .
C14 C15 1.364(7) .
C14 H14 0.9300 .
C15 C16 1.381(7) .
C16 C17 1.379(7) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.353(8) .
C19 H19 0.9300 .
C20 H20 0.9300 .
