#------------------------------------------------------------------------------
#$Date: 2021-10-06 17:51:35 +0300 (Wed, 06 Oct 2021) $
#$Revision: 269676 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/32/7243288.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_7243288
loop_
_publ_author_name
'Bebić, Nikol'
'Topić, Edi'
'Mandarić, Mirna'
'Hrenar, Tomica'
'Vrdoljak, Višnja'
_publ_section_title
;
 Extending the structural landscape of Mo(vi) hydrazonato
 inorganic--organic POM-hybrids: an experimental and computational study
;
_journal_issue                   36
_journal_name_full               CrystEngComm
_journal_page_first              6349
_journal_page_last               6358
_journal_paper_doi               10.1039/D1CE00861G
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'Mo6 O19, 2(C15 H13 Mo N4 O5), 4(C2 H3 N)'
_chemical_formula_sum            'C38 H38 Mo8 N12 O29'
_chemical_formula_weight         1894.32
_chemical_name_systematic
'bis((acetonitrile)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate acetonitrile solvate'
_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   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-06-14
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-07-15 deposited with the CCDC.	2021-07-29 downloaded from the CCDC.
;
_cell_angle_alpha                106.074(6)
_cell_angle_beta                 92.475(6)
_cell_angle_gamma                107.934(7)
_cell_formula_units_Z            1
_cell_length_a                   9.3622(7)
_cell_length_b                   10.7026(9)
_cell_length_c                   15.8530(10)
_cell_measurement_reflns_used    1930
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.0010
_cell_measurement_theta_min      4.3400
_cell_volume                     1437.8(2)
_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_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.3426
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.899
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     46.00  72.00   1.00    7.50    --   28.34  57.00   0.00   26
  2  ω    -87.00  -3.00   1.00    7.50    --  -31.31 -77.00 -60.00   84
  3  ω    -80.00  18.00   1.00    7.50    --  -31.31 106.00-156.00   98
  4  ω   -100.00 -65.00   1.00    7.50    --  -31.31 -77.00  90.00   35
  5  ω    -46.00  -8.00   1.00    7.50    --  -31.31 -77.00  90.00   38
  6  ω    -62.00  42.00   1.00    7.50    --  -31.31  37.00-180.00  104
  7  ω   -103.00 -11.00   1.00    7.50    --  -31.31 -77.00  30.00   92
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0653
_diffrn_reflns_av_unetI/netI     0.1527
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.899
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            16260
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.899
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.615
_diffrn_reflns_theta_min         4.053
_exptl_absorpt_coefficient_mu    1.783
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67963
_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            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.188
_exptl_crystal_description       plate
_exptl_crystal_F_000             918
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.882
_refine_diff_density_min         -0.740
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         9435
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.1813
_refine_ls_R_factor_gt           0.0738
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0294P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
_refine_ls_wR_factor_ref         0.1375
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4268
_reflns_number_total             9435
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00861g3.cif
_cod_data_source_block           exp_4506
_cod_depositor_comments
'Adding full bibliography for 7243285--7243294.cif.'
_cod_database_code               7243288
_shelx_shelxl_version_number     2018/3
_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_max   0.916
_shelx_estimated_absorpt_t_min   0.469
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N3(H3), C10(H10), C3(H3A), C7(H7), C13(H13), C5(H5A), C6(H6), C12(H12),
 C11(H11)
2.b Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C19(H19A,H19B,H19C), C17(H17A,H17B,H17C)
2.c Idealised tetrahedral OH refined as rotating group:
 O5(H5)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
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
Mo4 Mo 1.05812(8) 0.16985(7) 0.63666(4) 0.04213(18) Uani 1 1 d . . . . .
Mo1 Mo 0.51450(8) 0.29419(7) 0.15340(4) 0.04172(18) Uani 1 1 d . . . . .
Mo3 Mo 0.78502(8) -0.12382(7) 0.54544(4) 0.0473(2) Uani 1 1 d . . . . .
Mo2 Mo 0.86117(8) 0.11311(7) 0.44544(5) 0.0491(2) Uani 1 1 d . . . . .
O12 O 1.000000 0.000000 0.500000 0.0327(15) Uani 1 2 d S T P . .
O14 O 0.8749(6) 0.0391(5) 0.6473(3) 0.0487(14) Uani 1 1 d . . . . .
O2 O 0.4998(5) 0.1445(5) 0.2083(3) 0.0466(13) Uani 1 1 d . . . . .
O6 O 0.8416(6) -0.0404(5) 0.3463(3) 0.0467(13) Uani 1 1 d . . . . .
O7 O 0.7723(6) -0.2326(5) 0.4256(3) 0.0501(14) Uani 1 1 d . . . . .
O9 O 0.7177(6) 0.0000(5) 0.4941(3) 0.0539(14) Uani 1 1 d . . . . .
O13 O 0.9438(6) 0.2341(5) 0.5663(3) 0.0532(14) Uani 1 1 d . . . . .
O1 O 0.6197(6) 0.4139(5) 0.0895(3) 0.0503(14) Uani 1 1 d . . . . .
O11 O 0.9340(6) -0.1939(5) 0.5795(3) 0.0554(15) Uani 1 1 d . . . . .
N1 N 0.6370(6) 0.1596(6) 0.0775(3) 0.0325(13) Uani 1 1 d . . . . .
O4 O 0.4845(6) 0.4128(5) 0.2402(3) 0.0568(15) Uani 1 1 d . . . . .
O5 O 0.8803(8) 0.6371(6) -0.1047(4) 0.0703(18) Uani 1 1 d . . . . .
H5 H 0.877938 0.705180 -0.065928 0.105 Uiso 1 1 calc GR . . . .
O15 O 1.1046(6) 0.2905(6) 0.7352(3) 0.0602(15) Uani 1 1 d . . . . .
O3 O 0.3483(6) 0.2154(6) 0.0874(4) 0.0700(17) Uani 1 1 d . . . . .
O10 O 0.6301(7) -0.2087(6) 0.5798(3) 0.077(2) Uani 1 1 d . . . . .
N2 N 0.6273(6) 0.0429(6) 0.1034(4) 0.0396(14) Uani 1 1 d . . . . .
N4 N 0.7687(8) 0.3716(7) 0.2350(4) 0.0514(17) Uani 1 1 d . . . . .
N3 N 0.4877(7) -0.2759(7) 0.2829(4) 0.0481(16) Uani 1 1 d . . . . .
H3 H 0.473850 -0.341381 0.306375 0.058 Uiso 1 1 calc R . . . .
O8 O 0.7685(7) 0.2000(6) 0.4040(4) 0.082(2) Uani 1 1 d . . . . .
C9 C 0.5331(8) -0.0666(7) 0.2103(4) 0.0372(16) Uani 1 1 d . . . . .
N6 N 0.3781(8) -0.4110(8) 0.4103(4) 0.064(2) Uani 1 1 d . . . . .
C14 C 0.8872(10) 0.4037(8) 0.2710(5) 0.0444(19) Uani 1 1 d . . . . .
C8 C 0.5574(8) 0.0469(7) 0.1709(5) 0.0398(17) Uani 1 1 d . . . . .
C10 C 0.4644(8) -0.0632(8) 0.2867(5) 0.048(2) Uani 1 1 d . . . . .
H10 H 0.432699 0.010691 0.313774 0.058 Uiso 1 1 calc R . . . .
C15 C 1.0400(9) 0.4449(9) 0.3193(5) 0.056(2) Uani 1 1 d . . . . .
H15A H 1.111829 0.443184 0.277944 0.085 Uiso 1 1 calc GR . . . .
H15B H 1.042266 0.382018 0.351944 0.085 Uiso 1 1 calc GR . . . .
H15C H 1.065829 0.536481 0.359666 0.085 Uiso 1 1 calc GR . . . .
C3 C 0.7430(8) 0.5204(8) -0.0086(4) 0.0432(18) Uani 1 1 d . . . . .
H3A H 0.711940 0.595068 0.017444 0.052 Uiso 1 1 calc R . . . .
C4 C 0.8313(9) 0.5256(9) -0.0769(5) 0.048(2) Uani 1 1 d . . . . .
C7 C 0.7134(8) 0.1750(8) 0.0135(4) 0.0422(18) Uani 1 1 d . . . . .
H7 H 0.750929 0.105460 -0.014357 0.051 Uiso 1 1 calc R . . . .
C1 C 0.7440(8) 0.2917(8) -0.0171(4) 0.0377(17) Uani 1 1 d . . . . .
C13 C 0.5758(8) -0.1804(7) 0.1721(4) 0.0384(17) Uani 1 1 d . . . . .
H13 H 0.621168 -0.185568 0.120802 0.046 Uiso 1 1 calc R . . . .
C2 C 0.7014(8) 0.4077(8) 0.0209(4) 0.0413(18) Uani 1 1 d . . . . .
C5 C 0.8749(9) 0.4121(9) -0.1173(5) 0.053(2) Uani 1 1 d . . . . .
H5A H 0.932036 0.413212 -0.163795 0.063 Uiso 1 1 calc R . . . .
C6 C 0.8325(9) 0.2985(9) -0.0874(5) 0.051(2) Uani 1 1 d . . . . .
H6 H 0.862748 0.223610 -0.114191 0.061 Uiso 1 1 calc R . . . .
C12 C 0.5521(9) -0.2853(8) 0.2092(5) 0.052(2) Uani 1 1 d . . . . .
H12 H 0.580461 -0.361720 0.183361 0.063 Uiso 1 1 calc R . . . .
C11 C 0.4441(9) -0.1697(9) 0.3215(5) 0.053(2) Uani 1 1 d . . . . .
H11 H 0.399206 -0.167743 0.372802 0.064 Uiso 1 1 calc R . . . .
C18 C 0.3526(8) -0.4321(8) 0.4730(5) 0.0465(19) Uani 1 1 d . . . . .
C19 C 0.3204(10) -0.4599(8) 0.5560(5) 0.062(2) Uani 1 1 d . . . . .
H19A H 0.213057 -0.501462 0.553449 0.093 Uiso 1 1 calc GR . . . .
H19B H 0.356283 -0.375091 0.603828 0.093 Uiso 1 1 calc GR . . . .
H19C H 0.370762 -0.521626 0.565481 0.093 Uiso 1 1 calc GR . . . .
N5 N 0.9305(10) 0.8757(10) 0.0559(6) 0.089(3) Uani 1 1 d . . . . .
C16 C 0.9675(11) 0.9715(11) 0.1135(7) 0.064(3) Uani 1 1 d . . . . .
C17 C 1.0171(12) 1.0943(10) 0.1872(6) 0.084(3) Uani 1 1 d . . . . .
H17A H 1.060673 1.172381 0.166743 0.126 Uiso 1 1 calc GR . . . .
H17B H 1.091729 1.088198 0.227916 0.126 Uiso 1 1 calc GR . . . .
H17C H 0.932139 1.105058 0.216664 0.126 Uiso 1 1 calc GR . . . .
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
_geom_angle_publ_flag
O14 Mo4 O12 76.83(13) . . ?
O14 Mo4 O6 86.5(2) . 2_756 ?
O14 Mo4 O7 152.8(2) . 2_756 ?
O14 Mo4 O13 89.2(2) . . ?
O6 Mo4 O12 75.87(13) 2_756 . ?
O7 Mo4 O12 76.10(14) 2_756 . ?
O7 Mo4 O6 84.5(2) 2_756 2_756 ?
O13 Mo4 O12 77.09(15) . . ?
O13 Mo4 O6 152.9(2) . 2_756 ?
O13 Mo4 O7 87.3(2) . 2_756 ?
O15 Mo4 O12 178.2(2) . . ?
O15 Mo4 O14 104.0(2) . . ?
O15 Mo4 O6 102.6(2) . 2_756 ?
O15 Mo4 O7 103.0(2) . 2_756 ?
O15 Mo4 O13 104.4(3) . . ?
O2 Mo1 N1 72.16(19) . . ?
O2 Mo1 N4 78.5(2) . . ?
O1 Mo1 O2 150.6(2) . . ?
O1 Mo1 N1 81.8(2) . . ?
O1 Mo1 N4 81.0(2) . . ?
N1 Mo1 N4 73.0(2) . . ?
O4 Mo1 O2 99.5(2) . . ?
O4 Mo1 O1 99.2(2) . . ?
O4 Mo1 N1 156.9(2) . . ?
O4 Mo1 N4 84.3(2) . . ?
O3 Mo1 O2 96.1(3) . . ?
O3 Mo1 O1 100.3(3) . . ?
O3 Mo1 N1 96.6(2) . . ?
O3 Mo1 O4 105.8(3) . . ?
O3 Mo1 N4 169.3(3) . . ?
O14 Mo3 O12 76.36(13) . . ?
O14 Mo3 O9 85.0(2) . . ?
O7 Mo3 O12 77.15(14) . . ?
O7 Mo3 O14 153.34(19) . . ?
O7 Mo3 O9 85.8(2) . . ?
O9 Mo3 O12 75.71(15) . . ?
O11 Mo3 O12 77.25(14) . . ?
O11 Mo3 O14 87.8(2) . . ?
O11 Mo3 O7 89.2(2) . . ?
O11 Mo3 O9 152.9(2) . . ?
O10 Mo3 O12 178.4(2) . . ?
O10 Mo3 O14 102.3(2) . . ?
O10 Mo3 O7 104.2(2) . . ?
O10 Mo3 O9 103.4(3) . . ?
O10 Mo3 O11 103.6(3) . . ?
O6 Mo2 O12 77.54(15) . . ?
O6 Mo2 O13 153.8(2) . . ?
O6 Mo2 O11 87.0(2) . 2_756 ?
O9 Mo2 O12 77.58(16) . . ?
O9 Mo2 O6 89.8(2) . . ?
O9 Mo2 O13 87.7(2) . . ?
O9 Mo2 O11 153.6(2) . 2_756 ?
O13 Mo2 O12 76.43(15) . . ?
O11 Mo2 O12 76.13(16) 2_756 . ?
O11 Mo2 O13 83.8(2) 2_756 . ?
O8 Mo2 O12 177.0(2) . . ?
O8 Mo2 O6 102.4(3) . . ?
O8 Mo2 O9 105.4(3) . . ?
O8 Mo2 O13 103.5(3) . . ?
O8 Mo2 O11 100.8(3) . 2_756 ?
Mo4 O12 Mo4 180.0 2_756 . ?
Mo3 O12 Mo4 90.10(2) 2_756 . ?
Mo3 O12 Mo4 89.91(2) 2_756 2_756 ?
Mo3 O12 Mo4 89.91(2) . . ?
Mo3 O12 Mo4 90.09(2) . 2_756 ?
Mo3 O12 Mo3 180.0 . 2_756 ?
Mo3 O12 Mo2 89.84(3) 2_756 2_756 ?
Mo3 O12 Mo2 90.16(3) 2_756 . ?
Mo3 O12 Mo2 89.84(3) . . ?
Mo3 O12 Mo2 90.16(3) . 2_756 ?
Mo2 O12 Mo4 89.95(3) . 2_756 ?
Mo2 O12 Mo4 89.95(3) 2_756 . ?
Mo2 O12 Mo4 90.05(3) . . ?
Mo2 O12 Mo4 90.05(3) 2_756 2_756 ?
Mo2 O12 Mo2 180.00(2) . 2_756 ?
Mo4 O14 Mo3 116.9(2) . . ?
C8 O2 Mo1 118.6(4) . . ?
Mo2 O6 Mo4 116.6(2) . 2_756 ?
Mo3 O7 Mo4 116.5(2) . 2_756 ?
Mo2 O9 Mo3 116.8(3) . . ?
Mo4 O13 Mo2 116.3(3) . . ?
C2 O1 Mo1 138.3(5) . . ?
Mo3 O11 Mo2 116.5(2) . 2_756 ?
N2 N1 Mo1 115.0(4) . . ?
C7 N1 Mo1 128.8(5) . . ?
C7 N1 N2 116.2(6) . . ?
C8 N2 N1 108.8(6) . . ?
C14 N4 Mo1 177.7(7) . . ?
C11 N3 C12 122.7(7) . . ?
C10 C9 C8 120.8(7) . . ?
C13 C9 C8 121.4(6) . . ?
C13 C9 C10 117.8(7) . . ?
N4 C14 C15 178.9(8) . . ?
O2 C8 C9 116.2(6) . . ?
N2 C8 O2 125.1(7) . . ?
N2 C8 C9 118.6(7) . . ?
C11 C10 C9 119.2(7) . . ?
C2 C3 C4 121.2(7) . . ?
O5 C4 C3 122.8(7) . . ?
O5 C4 C5 117.9(7) . . ?
C3 C4 C5 119.3(7) . . ?
N1 C7 C1 123.8(7) . . ?
C7 C1 C6 118.8(6) . . ?
C2 C1 C7 124.7(6) . . ?
C2 C1 C6 116.4(7) . . ?
C12 C13 C9 120.8(6) . . ?
O1 C2 C3 117.0(7) . . ?
O1 C2 C1 121.5(7) . . ?
C3 C2 C1 121.5(6) . . ?
C6 C5 C4 119.3(7) . . ?
C5 C6 C1 122.3(7) . . ?
N3 C12 C13 118.8(7) . . ?
N3 C11 C10 120.7(7) . . ?
N6 C18 C19 179.4(9) . . ?
N5 C16 C17 179.2(11) . . ?
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
Mo4 O12 2.3243(7) . ?
Mo4 O14 1.899(5) . ?
Mo4 O6 1.965(5) 2_756 ?
Mo4 O7 1.948(5) 2_756 ?
Mo4 O13 1.907(5) . ?
Mo4 O15 1.666(5) . ?
Mo1 O2 1.997(5) . ?
Mo1 O1 1.914(5) . ?
Mo1 N1 2.239(5) . ?
Mo1 O4 1.694(5) . ?
Mo1 O3 1.670(5) . ?
Mo1 N4 2.439(7) . ?
Mo3 O12 2.3103(6) . ?
Mo3 O14 1.943(5) . ?
Mo3 O7 1.910(5) . ?
Mo3 O9 1.970(5) . ?
Mo3 O11 1.898(6) . ?
Mo3 O10 1.661(5) . ?
Mo2 O12 2.3140(7) . ?
Mo2 O6 1.888(5) . ?
Mo2 O9 1.863(5) . ?
Mo2 O13 1.956(5) . ?
Mo2 O11 1.954(5) 2_756 ?
Mo2 O8 1.684(5) . ?
O2 C8 1.328(8) . ?
O1 C2 1.356(7) . ?
N1 N2 1.399(7) . ?
N1 C7 1.285(7) . ?
O5 C4 1.342(8) . ?
N2 C8 1.276(8) . ?
N4 C14 1.130(9) . ?
N3 C12 1.330(8) . ?
N3 C11 1.325(10) . ?
C9 C8 1.476(9) . ?
C9 C10 1.394(9) . ?
C9 C13 1.387(9) . ?
N6 C18 1.099(8) . ?
C14 C15 1.469(11) . ?
C10 C11 1.364(10) . ?
C3 C4 1.394(9) . ?
C3 C2 1.364(9) . ?
C4 C5 1.396(10) . ?
C7 C1 1.416(9) . ?
C1 C2 1.405(10) . ?
C1 C6 1.422(9) . ?
C13 C12 1.371(9) . ?
C5 C6 1.378(10) . ?
C18 C19 1.451(10) . ?
N5 C16 1.113(11) . ?
C16 C17 1.427(12) . ?
