#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:24:55 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180392 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/61/7206160.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_7206160
loop_
_publ_author_name
'Vrdoljak, Višnja'
'Prugovečki, Biserka'
'Matković-Čalogović, Dubravka'
'Pisk, Jana'
_publ_section_title
;
 Hybrid organic--inorganic compounds based on the Lindqvist
 polyoxomolybdate and dioxomolybdenum(vi) complexes
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              4382
_journal_paper_doi               10.1039/c0ce00927j
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         '2(C17 H21 Mo N4 O5), Mo6 O19, 4(C3 H6 O)'
_chemical_formula_sum            'C46 H66 Mo8 N8 O33'
_chemical_formula_weight         2026.59
_chemical_name_common
;
bis(aqua cis-dioxo(2-oxo-4-diethylaminobenzaldehyde
isonicotinylhydrazonato-O, N, O)molybdenum(VI)) hexamolybdate acetone
solvate (1/4)
;
_chemical_name_systematic
;
bis(aqua cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato-
O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/4)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.9350(10)
_cell_angle_beta                 97.170(2)
_cell_angle_gamma                95.1900(10)
_cell_formula_units_Z            1
_cell_length_a                   10.2570(2)
_cell_length_b                   10.4104(2)
_cell_length_c                   15.5335(3)
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      15
_cell_volume                     1637.24(6)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction,2003)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction,2003)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction,2003)'
_computing_molecular_graphics    'PLATON98 (Spek, 1990)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Xcalibur CCD'
_diffrn_measurement_method       CCD
_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  0.0105
_diffrn_reflns_av_sigmaI/netI    0.0085
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19653
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         4.19
_exptl_absorpt_coefficient_mu    1.576
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.77749
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.055
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             998
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.3
_refine_diff_density_max         1.215
_refine_diff_density_min         -1.070
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       0.0044(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     439
_refine_ls_number_reflns         5749
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0209
_refine_ls_R_factor_gt           0.0197
_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)+(0.0241P)²+2.8737P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0501
_refine_ls_wR_factor_ref         0.0507
_reflns_number_gt                5510
_reflns_number_total             5749
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00927j.txt
_cod_data_source_block           3b
_cod_original_cell_volume        1637.24(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7206160
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.6434(2) 0.13316(19) 0.01689(13) 0.0166(4) Uani 1 1 d . . .
N2 N 0.6454(2) 0.02048(19) 0.06232(13) 0.0185(4) Uani 1 1 d . . .
O10 O 0.0000 0.0000 0.5000 0.0137(5) Uani 1 2 d S . .
O7 O 0.5378(2) 0.50749(18) 0.39042(13) 0.0286(4) Uani 1 1 d . . .
O14 O 0.35864(18) -0.00862(19) 0.42399(13) 0.0263(4) Uani 1 1 d . . .
O8 O 0.10617(17) 0.07216(18) 0.36017(11) 0.0215(4) Uani 1 1 d . . .
O17 O -0.12962(18) 0.15126(18) 0.27488(12) 0.0258(4) Uani 1 1 d . . .
O9 O -0.11322(18) -0.09299(17) 0.34470(11) 0.0216(4) Uani 1 1 d . . .
O13 O -0.1060(2) -0.35350(18) 0.39164(13) 0.0289(4) Uani 1 1 d . . .
O12 O -0.21754(17) -0.16216(16) 0.48494(12) 0.0203(4) Uani 1 1 d . . .
O16 O -0.01445(17) 0.23781(16) 0.44729(12) 0.0206(4) Uani 1 1 d . . .
O15 O -0.22831(16) 0.07787(16) 0.43244(11) 0.0188(4) Uani 1 1 d . . .
O11 O 0.11619(17) -0.16674(17) 0.41022(11) 0.0211(4) Uani 1 1 d . . .
O5 O 0.8033(2) 0.3136(2) 0.13327(15) 0.0255(4) Uani 1 1 d . . .
O3 O 0.57529(18) 0.41745(16) 0.16253(11) 0.0207(4) Uani 1 1 d . . .
O4 O 0.40805(18) 0.27048(17) 0.04284(11) 0.0220(4) Uani 1 1 d . . .
O2 O 0.63683(18) 0.38787(16) -0.01048(11) 0.0199(4) Uani 1 1 d . . .
O1 O 0.57570(17) 0.15361(15) 0.16602(11) 0.0179(4) Uani 1 1 d . . .
N3 N 0.5827(2) -0.2719(2) 0.30107(14) 0.0202(4) Uani 1 1 d . . .
H30 H 0.5772 -0.3361 0.3343 0.024 Uiso 1 1 calc R . .
C2 C 0.6010(2) -0.0680(2) 0.19615(16) 0.0159(5) Uani 1 1 d . . .
C9 C 0.6817(2) 0.3613(2) -0.08633(15) 0.0154(5) Uani 1 1 d . . .
C4 C 0.5554(2) -0.1565(2) 0.33012(17) 0.0199(5) Uani 1 1 d . . .
H4 H 0.5307 -0.1468 0.3854 0.024 Uiso 1 1 calc R . .
C3 C 0.5638(2) -0.0517(2) 0.27863(16) 0.0181(5) Uani 1 1 d . . .
H3 H 0.5447 0.0288 0.2987 0.022 Uiso 1 1 calc R . .
C13 C 0.7607(3) 0.2183(2) -0.18943(16) 0.0208(5) Uani 1 1 d . . .
H13 H 0.7762 0.1358 -0.2079 0.025 Uiso 1 1 calc R . .
C8 C 0.7062(2) 0.2337(2) -0.11081(16) 0.0176(5) Uani 1 1 d . . .
C11 C 0.7650(2) 0.4466(2) -0.21452(16) 0.0192(5) Uani 1 1 d . . .
C7 C 0.6884(2) 0.1278(2) -0.05802(16) 0.0181(5) Uani 1 1 d . . .
H7 H 0.7104 0.0483 -0.0780 0.022 Uiso 1 1 calc R . .
C10 C 0.7070(2) 0.4633(2) -0.13758(15) 0.0176(5) Uani 1 1 d . . .
H10 H 0.6856 0.5448 -0.1213 0.021 Uiso 1 1 calc R . .
C1 C 0.6084(2) 0.0410(2) 0.13769(16) 0.0165(5) Uani 1 1 d . . .
C6 C 0.6285(3) -0.1904(2) 0.16798(17) 0.0207(5) Uani 1 1 d . . .
H6 H 0.6535 -0.2033 0.1131 0.025 Uiso 1 1 calc R . .
C5 C 0.6183(3) -0.2912(2) 0.22185(17) 0.0220(5) Uani 1 1 d . . .
H5 H 0.6360 -0.3730 0.2035 0.026 Uiso 1 1 calc R . .
C12 C 0.7913(3) 0.3191(2) -0.23915(16) 0.0210(5) Uani 1 1 d . . .
H12 H 0.8297 0.3049 -0.2894 0.025 Uiso 1 1 calc R . .
C16 C 0.8847(3) 0.5394(3) -0.32924(17) 0.0255(6) Uani 1 1 d . . .
H16A H 0.9471 0.4775 -0.3121 0.031 Uiso 1 1 calc R . .
H16B H 0.9343 0.6228 -0.3316 0.031 Uiso 1 1 calc R . .
N4 N 0.7948(2) 0.5480(2) -0.26302(15) 0.0262(5) Uani 1 1 d . . .
C14 C 0.7360(3) 0.6716(3) -0.25371(18) 0.0292(6) Uani 1 1 d . . .
H14A H 0.6495 0.6545 -0.2352 0.035 Uiso 1 1 calc R . .
H14B H 0.7244 0.7099 -0.3099 0.035 Uiso 1 1 calc R . .
C15 C 0.8192(3) 0.7666(3) -0.1894(2) 0.0385(7) Uani 1 1 d . . .
H15A H 0.7767 0.8448 -0.1859 0.058 Uiso 1 1 calc R . .
H15B H 0.9044 0.7855 -0.2079 0.058 Uiso 1 1 calc R . .
H15C H 0.8294 0.7301 -0.1333 0.058 Uiso 1 1 calc R . .
C17 C 0.8144(3) 0.4996(3) -0.41873(18) 0.0319(7) Uani 1 1 d . . .
H17A H 0.8779 0.4960 -0.4590 0.048 Uiso 1 1 calc R . .
H17B H 0.7537 0.5615 -0.4368 0.048 Uiso 1 1 calc R . .
H17C H 0.7669 0.4161 -0.4173 0.048 Uiso 1 1 calc R . .
C23 C 0.7039(3) 0.3776(3) 0.35366(18) 0.0257(6) Uani 1 1 d . . .
H23A H 0.7334 0.4521 0.3240 0.039 Uiso 1 1 calc R . .
H23B H 0.6811 0.3055 0.3127 0.039 Uiso 1 1 calc R . .
H23C H 0.7733 0.3576 0.3971 0.039 Uiso 1 1 calc R . .
C21 C 0.5860(3) 0.4048(2) 0.39577(17) 0.0222(5) Uani 1 1 d . . .
C22 C 0.5265(3) 0.2978(3) 0.4452(2) 0.0323(7) Uani 1 1 d . . .
H22A H 0.4516 0.3258 0.4694 0.049 Uiso 1 1 calc R . .
H22B H 0.5910 0.2756 0.4912 0.049 Uiso 1 1 calc R . .
H22C H 0.4990 0.2236 0.4067 0.049 Uiso 1 1 calc R . .
Mo3 Mo -0.07377(2) 0.08345(2) 0.368217(13) 0.01709(7) Uani 1 1 d . . .
Mo2 Mo -0.06006(2) -0.20707(2) 0.440576(14) 0.01751(7) Uani 1 1 d . . .
Mo1 Mo 0.56989(2) 0.299086(18) 0.083135(13) 0.01390(7) Uani 1 1 d . . .
Mo4 Mo 0.20847(2) -0.00661(2) 0.457129(14) 0.01721(7) Uani 1 1 d . . .
O6 O 0.9681(3) 0.2564(9) 0.0113(2) 0.230(4) Uani 1 1 d . . .
C18 C 1.0351(4) 0.2534(9) -0.0454(3) 0.103(3) Uani 1 1 d . . .
C19 C 1.1019(5) 0.3693(5) -0.0800(4) 0.0853(18) Uani 1 1 d . . .
H19A H 1.0852 0.4451 -0.0477 0.128 Uiso 1 1 calc R . .
H19B H 1.0686 0.3755 -0.1401 0.128 Uiso 1 1 calc R . .
H19C H 1.1953 0.3624 -0.0744 0.128 Uiso 1 1 calc R . .
C20 C 1.0567(5) 0.1266(6) -0.0889(5) 0.117(3) Uani 1 1 d . . .
H20A H 1.0116 0.0570 -0.0620 0.175 Uiso 1 1 calc R . .
H20B H 1.1494 0.1165 -0.0829 0.175 Uiso 1 1 calc R . .
H20C H 1.0228 0.1257 -0.1494 0.175 Uiso 1 1 calc R . .
HW1 H 0.824(4) 0.271(4) 0.172(3) 0.045(11) Uiso 1 1 d . . .
HW2 H 0.844(3) 0.297(3) 0.099(2) 0.027(10) Uiso 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'
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
C7 N1 N2 115.4(2) . . ?
C7 N1 Mo1 128.85(16) . . ?
N2 N1 Mo1 115.68(14) . . ?
C1 N2 N1 109.48(19) . . ?
Mo2 O10 Mo2 180.0 . 2_556 ?
Mo2 O10 Mo3 90.187(8) . 2_556 ?
Mo2 O10 Mo3 89.814(8) 2_556 2_556 ?
Mo2 O10 Mo3 89.814(8) . . ?
Mo2 O10 Mo3 90.186(8) 2_556 . ?
Mo3 O10 Mo3 180.0 2_556 . ?
Mo2 O10 Mo4 90.036(8) . 2_556 ?
Mo2 O10 Mo4 89.965(8) 2_556 2_556 ?
Mo3 O10 Mo4 89.885(8) 2_556 2_556 ?
Mo3 O10 Mo4 90.115(8) . 2_556 ?
Mo2 O10 Mo4 89.963(8) . . ?
Mo2 O10 Mo4 90.036(8) 2_556 . ?
Mo3 O10 Mo4 90.115(8) 2_556 . ?
Mo3 O10 Mo4 89.884(7) . . ?
Mo4 O10 Mo4 180.0 2_556 . ?
Mo3 O8 Mo4 116.70(8) . . ?
Mo3 O9 Mo2 116.35(9) . . ?
Mo2 O12 Mo4 116.53(8) . 2_556 ?
Mo2 O16 Mo3 116.69(8) 2_556 . ?
Mo4 O15 Mo3 116.63(8) 2_556 . ?
Mo4 O11 Mo2 116.68(8) . . ?
C9 O2 Mo1 139.50(15) . . ?
C1 O1 Mo1 118.07(15) . . ?
C4 N3 C5 122.2(2) . . ?
C3 C2 C6 118.9(2) . . ?
C3 C2 C1 121.0(2) . . ?
C6 C2 C1 120.0(2) . . ?
O2 C9 C10 117.2(2) . . ?
O2 C9 C8 121.3(2) . . ?
C10 C9 C8 121.5(2) . . ?
N3 C4 C3 120.3(2) . . ?
C4 C3 C2 119.1(2) . . ?
C12 C13 C8 122.8(2) . . ?
C7 C8 C13 120.1(2) . . ?
C7 C8 C9 123.3(2) . . ?
C13 C8 C9 116.5(2) . . ?
N4 C11 C10 121.1(2) . . ?
N4 C11 C12 121.2(2) . . ?
C10 C11 C12 117.7(2) . . ?
N1 C7 C8 124.7(2) . . ?
C9 C10 C11 121.1(2) . . ?
N2 C1 O1 124.1(2) . . ?
N2 C1 C2 118.2(2) . . ?
O1 C1 C2 117.6(2) . . ?
C5 C6 C2 119.5(2) . . ?
N3 C5 C6 120.0(2) . . ?
C13 C12 C11 120.3(2) . . ?
N4 C16 C17 113.3(2) . . ?
C11 N4 C16 121.4(2) . . ?
C11 N4 C14 121.8(2) . . ?
C16 N4 C14 116.8(2) . . ?
N4 C14 C15 112.9(3) . . ?
O7 C21 C23 122.7(2) . . ?
O7 C21 C22 120.7(3) . . ?
C23 C21 C22 116.6(2) . . ?
O17 Mo3 O9 104.46(9) . . ?
O17 Mo3 O8 103.84(8) . . ?
O9 Mo3 O8 91.88(8) . . ?
O17 Mo3 O15 102.51(8) . . ?
O9 Mo3 O15 87.54(8) . . ?
O8 Mo3 O15 152.92(7) . . ?
O17 Mo3 O16 102.04(8) . . ?
O9 Mo3 O16 153.13(7) . . ?
O8 Mo3 O16 86.06(8) . . ?
O15 Mo3 O16 82.44(7) . . ?
O17 Mo3 O10 177.00(7) . . ?
O9 Mo3 O10 78.08(5) . . ?
O8 Mo3 O10 77.53(5) . . ?
O15 Mo3 O10 75.87(5) . . ?
O16 Mo3 O10 75.31(5) . . ?
O13 Mo2 O16 105.71(9) . 2_556 ?
O13 Mo2 O12 103.31(9) . . ?
O16 Mo2 O12 89.96(8) 2_556 . ?
O13 Mo2 O11 103.04(9) . . ?
O16 Mo2 O11 88.87(8) 2_556 . ?
O12 Mo2 O11 152.92(7) . . ?
O13 Mo2 O9 100.89(9) . . ?
O16 Mo2 O9 153.39(7) 2_556 . ?
O12 Mo2 O9 84.77(7) . . ?
O11 Mo2 O9 84.26(8) . . ?
O13 Mo2 O10 176.56(7) . . ?
O16 Mo2 O10 77.70(5) 2_556 . ?
O12 Mo2 O10 76.94(5) . . ?
O11 Mo2 O10 76.38(5) . . ?
O9 Mo2 O10 75.70(5) . . ?
O4 Mo1 O3 104.95(9) . . ?
O4 Mo1 O2 100.48(8) . . ?
O3 Mo1 O2 103.66(8) . . ?
O4 Mo1 O1 97.16(8) . . ?
O3 Mo1 O1 94.70(7) . . ?
O2 Mo1 O1 150.16(7) . . ?
O4 Mo1 N1 98.15(8) . . ?
O3 Mo1 N1 154.85(8) . . ?
O2 Mo1 N1 81.41(7) . . ?
O1 Mo1 N1 72.37(7) . . ?
O4 Mo1 O5 172.95(8) . . ?
O3 Mo1 O5 81.62(8) . . ?
O2 Mo1 O5 80.12(8) . . ?
O1 Mo1 O5 79.53(7) . . ?
N1 Mo1 O5 74.95(8) . . ?
O14 Mo4 O15 104.17(8) . 2_556 ?
O14 Mo4 O11 103.76(8) . . ?
O15 Mo4 O11 89.04(8) 2_556 . ?
O14 Mo4 O12 103.06(8) . 2_556 ?
O15 Mo4 O12 88.26(7) 2_556 2_556 ?
O11 Mo4 O12 152.88(7) . 2_556 ?
O14 Mo4 O8 102.85(8) . . ?
O15 Mo4 O8 152.96(7) 2_556 . ?
O11 Mo4 O8 85.48(8) . . ?
O12 Mo4 O8 84.78(8) 2_556 . ?
O14 Mo4 O10 178.48(7) . . ?
O15 Mo4 O10 77.29(5) 2_556 . ?
O11 Mo4 O10 76.60(5) . . ?
O12 Mo4 O10 76.48(5) 2_556 . ?
O8 Mo4 O10 75.69(5) . . ?
O6 C18 C19 124.3(9) . . ?
O6 C18 C20 120.8(8) . . ?
C19 C18 C20 115.0(4) . . ?
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
N1 C7 1.306(3) . ?
N1 N2 1.390(3) . ?
N1 Mo1 2.218(2) . ?
N2 C1 1.292(3) . ?
O10 Mo2 2.3156(2) . ?
O10 Mo2 2.3156(2) 2_556 ?
O10 Mo3 2.3173(2) 2_556 ?
O10 Mo3 2.3173(2) . ?
O10 Mo4 2.3236(2) 2_556 ?
O10 Mo4 2.3237(2) . ?
O7 C21 1.219(3) . ?
O14 Mo4 1.6855(18) . ?
O8 Mo3 1.8793(17) . ?
O8 Mo4 1.9714(17) . ?
O17 Mo3 1.6922(17) . ?
O9 Mo3 1.8586(18) . ?
O9 Mo2 1.9898(18) . ?
O13 Mo2 1.6810(18) . ?
O12 Mo2 1.9222(17) . ?
O12 Mo4 1.9360(18) 2_556 ?
O16 Mo2 1.8629(18) 2_556 ?
O16 Mo3 1.9911(18) . ?
O15 Mo4 1.8869(17) 2_556 ?
O15 Mo3 1.9731(17) . ?
O11 Mo4 1.9148(17) . ?
O11 Mo2 1.9379(17) . ?
O5 Mo1 2.413(2) . ?
O3 Mo1 1.7060(17) . ?
O4 Mo1 1.6955(18) . ?
O2 C9 1.346(3) . ?
O2 Mo1 1.9146(16) . ?
O1 C1 1.324(3) . ?
O1 Mo1 2.0208(16) . ?
N3 C4 1.335(3) . ?
N3 C5 1.340(3) . ?
C2 C3 1.391(3) . ?
C2 C6 1.397(3) . ?
C2 C1 1.480(3) . ?
C9 C10 1.374(3) . ?
C9 C8 1.422(3) . ?
C4 C3 1.377(4) . ?
C13 C12 1.361(4) . ?
C13 C8 1.415(3) . ?
C8 C7 1.408(3) . ?
C11 N4 1.352(3) . ?
C11 C10 1.412(3) . ?
C11 C12 1.427(4) . ?
C6 C5 1.369(4) . ?
C16 N4 1.470(3) . ?
C16 C17 1.510(4) . ?
N4 C14 1.480(4) . ?
C14 C15 1.508(4) . ?
C23 C21 1.489(4) . ?
C21 C22 1.502(4) . ?
Mo2 O16 1.8628(18) 2_556 ?
Mo4 O15 1.8869(17) 2_556 ?
Mo4 O12 1.9360(18) 2_556 ?
O6 C18 1.184(5) . ?
C18 C19 1.483(9) . ?
C18 C20 1.509(9) . ?
