#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:51:03 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179427 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/24/4332483.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4332483
loop_
_publ_author_name
'Michailovski, Alexej'
'Rüegger, Heinz'
'Sheptyakov, Denis'
'Patzke, Greta R.'
_publ_section_title
;
 Synthesis and Characterization of Novel Fluorinated Poly(oxomolybdates)
;
_journal_issue                   14
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5641
_journal_page_last               5652
_journal_paper_doi               10.1021/ic0604359
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C24 H72 F6 Mo14 N6 Na4 O56'
_chemical_formula_weight         2890.00
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 99.474(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.141(5)
_cell_length_b                   13.982(3)
_cell_length_c                   32.214(8)
_cell_measurement_reflns_used    988
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      59.043
_cell_measurement_theta_min      4.637
_cell_volume                     8504(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0408
_diffrn_reflns_av_sigmaI/netI    0.0362
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            35308
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.75
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    2.118
_exptl_absorpt_correction_T_max  0.8488
_exptl_absorpt_correction_T_min  0.4846
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Sadabs, G. Sheldrick, Goettingen'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.257
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             5568
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.169
_refine_diff_density_min         -0.779
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       0.000051(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     498
_refine_ls_number_reflns         8103
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0364
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0398P)²+40.7942P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0847
_refine_ls_wR_factor_ref         0.0901
_reflns_number_gt                6369
_reflns_number_total             8103
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0604359sup1.cif
_cod_data_source_block           monocap
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4332483
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 0.76373(3) 0.65920(4) 0.673203(15) 0.03557(13) Uani 1 1 d .
Mo2 Mo 0.60914(3) 0.77944(4) 0.653471(16) 0.03685(13) Uani 1 1 d .
Mo3 Mo 0.90686(2) 0.74420(4) 0.640928(16) 0.03588(13) Uani 1 1 d .
Mo4 Mo 0.74230(3) 1.06012(3) 0.561273(14) 0.03219(12) Uani 1 1 d .
Mo5 Mo 0.89637(2) 0.94931(3) 0.585865(15) 0.03349(12) Uani 1 1 d .
Mo6 Mo 0.59852(2) 0.97584(4) 0.596333(15) 0.03438(13) Uani 1 1 d .
Mo7 Mo 0.77391(2) 0.92723(3) 0.663800(14) 0.03091(12) Uani 1 1 d .
Na1 Na 0.72134(11) 0.76342(15) 0.55300(6) 0.0354(5) Uani 1 1 d .
Na2 Na 0.81536(15) 0.5395(2) 0.58617(9) 0.0633(7) Uani 1 1 d .
F1 F 0.78360(15) 0.9100(2) 0.55992(10) 0.0356(7) Uani 1 1 d .
F2 F 0.79235(15) 0.7171(2) 0.61299(9) 0.0343(7) Uani 1 1 d .
F3 F 0.64109(16) 0.8280(2) 0.59274(9) 0.0350(7) Uani 1 1 d .
O1 O 0.6675(2) 0.6719(3) 0.64418(11) 0.0374(9) Uani 1 1 d .
O2 O 0.8558(2) 0.7178(3) 0.68641(11) 0.0399(9) Uani 1 1 d .
O3 O 0.90711(19) 0.8131(3) 0.58886(11) 0.0346(9) Uani 1 1 d .
O4 O 0.83765(19) 1.0579(3) 0.59334(12) 0.0361(9) Uani 1 1 d .
O5 O 0.65126(19) 0.9997(3) 0.55046(11) 0.0358(9) Uani 1 1 d .
O6 O 0.5983(2) 0.9162(3) 0.64990(12) 0.0386(9) Uani 1 1 d .
O7 O 0.7569(2) 1.0736(3) 0.51107(12) 0.0485(11) Uani 1 1 d .
O8 O 0.7200(2) 1.1718(3) 0.57505(13) 0.0472(10) Uani 1 1 d .
O9 O 0.9723(2) 0.9878(3) 0.61637(15) 0.0528(11) Uani 1 1 d .
O10 O 0.9109(2) 0.9660(3) 0.53590(14) 0.0526(11) Uani 1 1 d .
O11 O 0.9846(2) 0.7813(3) 0.67006(15) 0.0559(12) Uani 1 1 d .
O12 O 0.9231(2) 0.6307(3) 0.62503(15) 0.0533(11) Uani 1 1 d .
O13 O 0.7488(3) 0.6395(3) 0.72279(13) 0.0578(12) Uani 1 1 d .
O14 O 0.7834(2) 0.5489(3) 0.65575(14) 0.0525(11) Uani 1 1 d .
O15 O 0.5297(2) 0.7396(3) 0.62734(15) 0.0568(12) Uani 1 1 d .
O16 O 0.6021(2) 0.7667(3) 0.70500(14) 0.0556(12) Uani 1 1 d .
O17 O 0.5193(2) 0.9410(3) 0.56712(14) 0.0511(11) Uani 1 1 d .
O18 O 0.5840(2) 1.0893(3) 0.61082(14) 0.0509(11) Uani 1 1 d .
O19 O 0.72938(19) 0.8207(3) 0.67630(11) 0.0351(9) Uani 1 1 d .
O20 O 0.71872(18) 0.9982(3) 0.62506(11) 0.0329(8) Uani 1 1 d .
O21 O 0.85590(19) 0.8969(3) 0.64689(12) 0.0358(9) Uani 1 1 d .
O22 O 0.7938(2) 0.9936(3) 0.70855(13) 0.0520(11) Uani 1 1 d .
O23 O 0.8330(2) 0.7182(3) 0.51813(12) 0.0433(10) Uani 1 1 d .
O24 O 0.7043(2) 0.5887(3) 0.54445(13) 0.0515(11) Uani 1 1 d .
O25 O 0.6066(2) 0.5290(3) 0.59386(14) 0.0535(11) Uani 1 1 d .
O26 O 0.8908(2) 0.5351(3) 0.53436(13) 0.0462(10) Uani 1 1 d .
O27 O 0.7965(4) 0.3750(5) 0.5833(2) 0.102(2) Uani 1 1 d .
O28 O 0.8843(3) 1.2308(4) 0.63304(17) 0.0688(14) Uani 1 1 d .
N1 N 0.4492(2) 0.7214(3) 0.49824(14) 0.0350(11) Uani 1 1 d .
C11 C 0.5106(4) 0.6761(5) 0.5255(2) 0.063(2) Uani 1 1 d .
H11A H 0.5447 0.6559 0.5085 0.094 Uiso 1 1 calc R
H11B H 0.4947 0.6217 0.5395 0.094 Uiso 1 1 calc R
H11C H 0.5322 0.7215 0.5460 0.094 Uiso 1 1 calc R
C12 C 0.3964(4) 0.7534(6) 0.5243(2) 0.069(2) Uani 1 1 d .
H12A H 0.3812 0.6996 0.5390 0.103 Uiso 1 1 calc R
H12B H 0.3564 0.7810 0.5065 0.103 Uiso 1 1 calc R
H12C H 0.4176 0.8003 0.5443 0.103 Uiso 1 1 calc R
C13 C 0.4158(4) 0.6489(6) 0.4666(2) 0.068(2) Uani 1 1 d .
H13A H 0.4499 0.6283 0.4497 0.102 Uiso 1 1 calc R
H13B H 0.3760 0.6773 0.4488 0.102 Uiso 1 1 calc R
H13C H 0.4000 0.5950 0.4810 0.102 Uiso 1 1 calc R
C14 C 0.4719(4) 0.8048(6) 0.4758(3) 0.073(2) Uani 1 1 d .
H14A H 0.5063 0.7850 0.4590 0.109 Uiso 1 1 calc R
H14B H 0.4926 0.8518 0.4958 0.109 Uiso 1 1 calc R
H14C H 0.4317 0.8319 0.4580 0.109 Uiso 1 1 calc R
N2 N 0.7000(3) 0.2978(4) 0.68775(15) 0.0481(13) Uani 1 1 d .
C21 C 0.6706(5) 0.3535(7) 0.6499(3) 0.102(3) Uani 1 1 d .
H21A H 0.6638 0.4187 0.6578 0.153 Uiso 1 1 calc R
H21B H 0.6259 0.3266 0.6374 0.153 Uiso 1 1 calc R
H21C H 0.7029 0.3514 0.6301 0.153 Uiso 1 1 calc R
C22 C 0.7681(6) 0.3377(9) 0.7093(4) 0.140(5) Uani 1 1 d .
H22A H 0.7615 0.4031 0.7168 0.210 Uiso 1 1 calc R
H22B H 0.8027 0.3343 0.6909 0.210 Uiso 1 1 calc R
H22C H 0.7843 0.3013 0.7344 0.210 Uiso 1 1 calc R
C23 C 0.7096(10) 0.2013(8) 0.6772(3) 0.182(8) Uani 1 1 d .
H23A H 0.7402 0.1979 0.6564 0.273 Uiso 1 1 calc R
H23B H 0.6645 0.1735 0.6661 0.273 Uiso 1 1 calc R
H23C H 0.7305 0.1668 0.7019 0.273 Uiso 1 1 calc R
C24 C 0.6542(5) 0.3037(9) 0.7192(3) 0.123(5) Uani 1 1 d .
H24A H 0.6477 0.3695 0.7261 0.184 Uiso 1 1 calc R
H24B H 0.6753 0.2697 0.7440 0.184 Uiso 1 1 calc R
H24C H 0.6091 0.2757 0.7083 0.184 Uiso 1 1 calc R
N3 N 1.0000 1.0560(6) 0.7500 0.070(3) Uani 1 2 d S
C31 C 0.9533(6) 1.1171(9) 0.7202(4) 0.125(4) Uani 1 1 d .
H31A H 0.9814 1.1555 0.7046 0.187 Uiso 1 1 calc R
H31B H 0.9261 1.1578 0.7354 0.187 Uiso 1 1 calc R
H31C H 0.9218 1.0776 0.7011 0.187 Uiso 1 1 calc R
C32 C 1.0312(15) 1.0007(17) 0.7260(6) 0.48(3) Uani 1 1 d .
H32A H 1.0555 1.0392 0.7083 0.716 Uiso 1 1 calc R
H32B H 0.9964 0.9619 0.7089 0.716 Uiso 1 1 calc R
H32C H 1.0647 0.9602 0.7433 0.716 Uiso 1 1 calc R
N4 N 1.0000 0.5034(6) 0.7500 0.062(2) Uani 1 2 d S
C41 C 0.9570(6) 0.4454(9) 0.7189(4) 0.144(5) Uani 1 1 d .
H41A H 0.9286 0.4859 0.6987 0.216 Uiso 1 1 calc R
H41B H 0.9267 0.4053 0.7324 0.216 Uiso 1 1 calc R
H41C H 0.9870 0.4061 0.7048 0.216 Uiso 1 1 calc R
C42 C 1.0456(7) 0.5613(11) 0.7283(4) 0.165(6) Uani 1 1 d .
H42A H 1.0171 0.6003 0.7076 0.247 Uiso 1 1 calc R
H42B H 1.0752 0.5203 0.7147 0.247 Uiso 1 1 calc R
H42C H 1.0748 0.6015 0.7482 0.247 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
O O 0.0106 0.0060 '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'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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
O13 Mo1 O14 104.2(2) . .
O13 Mo1 O2 98.69(19) . .
O14 Mo1 O2 102.4(2) . .
O13 Mo1 O1 100.2(2) . .
O14 Mo1 O1 99.68(19) . .
O2 Mo1 O1 146.35(16) . .
O13 Mo1 F2 167.25(18) . .
O14 Mo1 F2 86.75(17) . .
O2 Mo1 F2 72.16(13) . .
O1 Mo1 F2 84.12(13) . .
O13 Mo1 O19 91.38(19) . .
O14 Mo1 O19 163.41(17) . .
O2 Mo1 O19 80.48(15) . .
O1 Mo1 O19 71.47(14) . .
F2 Mo1 O19 78.53(12) . .
O13 Mo1 Na2 141.57(18) . .
O14 Mo1 Na2 37.45(15) . .
O2 Mo1 Na2 90.66(13) . .
O1 Mo1 Na2 91.62(12) . .
F2 Mo1 Na2 49.38(9) . .
O19 Mo1 Na2 127.00(10) . .
O16 Mo2 O15 103.9(2) . .
O16 Mo2 O6 97.9(2) . .
O15 Mo2 O6 102.5(2) . .
O16 Mo2 O1 102.2(2) . .
O15 Mo2 O1 99.3(2) . .
O6 Mo2 O1 145.67(16) . .
O16 Mo2 F3 163.66(18) . .
O15 Mo2 F3 90.99(17) . .
O6 Mo2 F3 71.94(13) . .
O1 Mo2 F3 81.54(14) . .
O16 Mo2 O19 87.20(18) . .
O15 Mo2 O19 166.96(17) . .
O6 Mo2 O19 82.32(15) . .
O1 Mo2 O19 71.29(14) . .
F3 Mo2 O19 78.88(12) . .
O11 Mo3 O12 105.2(2) . .
O11 Mo3 O2 98.4(2) . .
O12 Mo3 O2 100.9(2) . .
O11 Mo3 O3 101.5(2) . .
O12 Mo3 O3 100.12(19) . .
O2 Mo3 O3 145.99(16) . .
O11 Mo3 F2 166.38(18) . .
O12 Mo3 F2 86.40(17) . .
O2 Mo3 F2 71.99(13) . .
O3 Mo3 F2 83.03(13) . .
O11 Mo3 O21 90.84(18) . .
O12 Mo3 O21 163.24(18) . .
O2 Mo3 O21 81.00(15) . .
O3 Mo3 O21 71.43(14) . .
F2 Mo3 O21 78.34(12) . .
O11 Mo3 Na2 144.10(17) . .
O12 Mo3 Na2 39.23(16) . .
O2 Mo3 Na2 87.40(12) . .
O3 Mo3 Na2 92.33(12) . .
F2 Mo3 Na2 47.18(9) . .
O21 Mo3 Na2 125.04(10) . .
O7 Mo4 O8 103.6(2) . .
O7 Mo4 O5 99.39(18) . .
O8 Mo4 O5 101.10(19) . .
O7 Mo4 O4 102.78(19) . .
O8 Mo4 O4 97.51(18) . .
O5 Mo4 O4 146.69(16) . .
O7 Mo4 F1 88.39(17) . .
O8 Mo4 F1 165.83(16) . .
O5 Mo4 F1 84.10(14) . .
O4 Mo4 F1 72.08(13) . .
O7 Mo4 O20 164.52(18) . .
O8 Mo4 O20 91.01(17) . .
O5 Mo4 O20 72.28(14) . .
O4 Mo4 O20 80.05(14) . .
F1 Mo4 O20 77.93(12) . .
O10 Mo5 O9 104.3(2) . .
O10 Mo5 O3 98.74(19) . .
O9 Mo5 O3 102.17(19) . .
O10 Mo5 O4 101.56(19) . .
O9 Mo5 O4 98.00(19) . .
O3 Mo5 O4 146.75(15) . .
O10 Mo5 F1 88.74(18) . .
O9 Mo5 F1 165.26(17) . .
O3 Mo5 F1 82.21(13) . .
O4 Mo5 F1 72.25(13) . .
O10 Mo5 O21 165.40(18) . .
O9 Mo5 O21 89.05(18) . .
O3 Mo5 O21 72.22(14) . .
O4 Mo5 O21 82.04(15) . .
F1 Mo5 O21 78.82(12) . .
O18 Mo6 O17 104.3(2) . .
O18 Mo6 O6 97.77(19) . .
O17 Mo6 O6 103.73(19) . .
O18 Mo6 O5 100.21(19) . .
O17 Mo6 O5 98.84(18) . .
O6 Mo6 O5 146.55(16) . .
O18 Mo6 F3 164.15(17) . .
O17 Mo6 F3 90.34(17) . .
O6 Mo6 F3 72.48(14) . .
O5 Mo6 F3 83.13(14) . .
O18 Mo6 O20 87.76(18) . .
O17 Mo6 O20 165.89(17) . .
O6 Mo6 O20 81.41(14) . .
O5 Mo6 O20 71.40(13) . .
F3 Mo6 O20 78.58(12) . .
O22 Mo7 O21 107.5(2) . .
O22 Mo7 O19 108.1(2) . .
O21 Mo7 O19 110.06(17) . .
O22 Mo7 O20 108.12(19) . .
O21 Mo7 O20 111.32(16) . .
O19 Mo7 O20 111.59(17) . .
F2 Na1 F3 89.95(13) . .
F2 Na1 F1 86.84(13) . .
F3 Na1 F1 88.84(13) . .
F2 Na1 O23 164.10(16) . 7_666
F3 Na1 O23 105.35(15) . 7_666
F1 Na1 O23 97.55(15) . 7_666
F2 Na1 O24 82.10(14) . .
F3 Na1 O24 110.86(15) . .
F1 Na1 O24 157.26(16) . .
O23 Na1 O24 88.31(16) 7_666 .
F2 Na1 O23 83.17(13) . .
F3 Na1 O23 166.73(15) . .
F1 Na1 O23 79.49(13) . .
O23 Na1 O23 82.63(15) 7_666 .
O24 Na1 O23 79.51(15) . .
F2 Na1 Na2 46.66(10) . .
F3 Na1 Na2 120.25(11) . .
F1 Na1 Na2 119.71(11) . .
O23 Na1 Na2 119.25(13) 7_666 .
O24 Na1 Na2 40.68(12) . .
O23 Na1 Na2 61.98(11) . .
F2 Na1 Na1 121.36(13) . 7_666
F3 Na1 Na1 148.15(13) . 7_666
F1 Na1 Na1 87.39(11) . 7_666
O23 Na1 Na1 44.12(11) 7_666 7_666
O24 Na1 Na1 81.59(12) . 7_666
O23 Na1 Na1 38.51(9) . 7_666
Na2 Na1 Na1 88.68(8) . 7_666
O27 Na2 O26 93.1(2) . .
O27 Na2 O24 98.2(2) . .
O26 Na2 O24 101.34(18) . .
O27 Na2 O14 91.7(2) . .
O26 Na2 O14 157.7(2) . .
O24 Na2 O14 99.56(18) . .
O27 Na2 O12 128.1(2) . .
O26 Na2 O12 79.85(17) . .
O24 Na2 O12 133.70(19) . .
O14 Na2 O12 80.02(17) . .
O27 Na2 F2 153.2(2) . .
O26 Na2 F2 113.54(16) . .
O24 Na2 F2 74.96(14) . .
O14 Na2 F2 64.74(13) . .
O12 Na2 F2 62.98(13) . .
O27 Na2 Mo1 115.91(18) . .
O26 Na2 Mo1 147.93(15) . .
O24 Na2 Mo1 88.35(13) . .
O14 Na2 Mo1 25.35(10) . .
O12 Na2 Mo1 71.68(12) . .
F2 Na2 Mo1 39.45(7) . .
O27 Na2 Mo3 148.4(2) . .
O26 Na2 Mo3 93.49(13) . .
O24 Na2 Mo3 110.65(14) . .
O14 Na2 Mo3 71.64(12) . .
O12 Na2 Mo3 24.94(10) . .
F2 Na2 Mo3 38.05(7) . .
Mo1 Na2 Mo3 54.68(5) . .
O27 Na2 Na1 139.8(2) . .
O26 Na2 Na1 98.18(14) . .
O24 Na2 Na1 41.78(12) . .
O14 Na2 Na1 92.11(13) . .
O12 Na2 Na1 91.96(13) . .
F2 Na2 Na1 37.79(8) . .
Mo1 Na2 Na1 68.97(6) . .
Mo3 Na2 Na1 69.30(6) . .
Mo4 F1 Mo5 94.81(11) . .
Mo4 F1 Na1 129.71(14) . .
Mo5 F1 Na1 133.21(15) . .
Mo1 F2 Mo3 94.28(10) . .
Mo1 F2 Na1 129.84(14) . .
Mo3 F2 Na1 134.26(15) . .
Mo1 F2 Na2 91.17(12) . .
Mo3 F2 Na2 94.77(12) . .
Na1 F2 Na2 95.55(13) . .
Mo6 F3 Mo2 94.63(11) . .
Mo6 F3 Na1 131.68(15) . .
Mo2 F3 Na1 131.09(15) . .
Mo2 O1 Mo1 121.87(18) . .
Mo3 O2 Mo1 118.27(18) . .
Mo5 O3 Mo3 121.51(19) . .
Mo5 O4 Mo4 117.54(18) . .
Mo4 O5 Mo6 120.42(18) . .
Mo6 O6 Mo2 118.01(19) . .
Mo3 O12 Na2 115.8(2) . .
Mo1 O14 Na2 117.2(2) . .
Mo7 O19 Mo1 129.74(19) . .
Mo7 O19 Mo2 127.25(19) . .
Mo1 O19 Mo2 90.99(13) . .
Mo7 O20 Mo4 129.64(18) . .
Mo7 O20 Mo6 128.65(18) . .
Mo4 O20 Mo6 91.21(12) . .
Mo7 O21 Mo5 127.32(19) . .
Mo7 O21 Mo3 129.07(19) . .
Mo5 O21 Mo3 90.95(13) . .
Na1 O23 Na1 97.37(15) 7_666 .
Na2 O24 Na1 97.54(17) . .
C14 N1 C12 108.8(6) . .
C14 N1 C11 110.9(5) . .
C12 N1 C11 109.9(5) . .
C14 N1 C13 109.1(6) . .
C12 N1 C13 109.5(5) . .
C11 N1 C13 108.7(5) . .
N1 C11 H11A 109.5 . .
N1 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
N1 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N1 C12 H12A 109.5 . .
N1 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
N1 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N1 C13 H13A 109.5 . .
N1 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
N1 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
N1 C14 H14A 109.5 . .
N1 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
N1 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C23 N2 C24 109.9(9) . .
C23 N2 C21 110.6(7) . .
C24 N2 C21 110.7(7) . .
C23 N2 C22 109.5(10) . .
C24 N2 C22 103.8(7) . .
C21 N2 C22 112.1(7) . .
N2 C21 H21A 109.5 . .
N2 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
N2 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N2 C22 H22A 109.5 . .
N2 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
N2 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N2 C23 H23A 109.5 . .
N2 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
N2 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N2 C24 H24A 109.5 . .
N2 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
N2 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C32 N3 C32 107(3) . 2_756
C32 N3 C31 116.2(14) . 2_756
C32 N3 C31 104.2(9) 2_756 2_756
C32 N3 C31 104.2(9) . .
C32 N3 C31 116.2(14) 2_756 .
C31 N3 C31 109.1(12) 2_756 .
N3 C31 H31A 109.5 . .
N3 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
N3 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
N3 C32 H32A 109.5 . .
N3 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
N3 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C41 N4 C41 111.3(13) 2_756 .
C41 N4 C42 109.3(8) 2_756 .
C41 N4 C42 107.4(8) . .
C41 N4 C42 107.4(8) 2_756 2_756
C41 N4 C42 109.3(8) . 2_756
C42 N4 C42 112.2(15) . 2_756
N4 C41 H41A 109.5 . .
N4 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
N4 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
N4 C42 H42A 109.5 . .
N4 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
N4 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O13 1.691(4) .
Mo1 O14 1.705(4) .
Mo1 O2 1.927(4) .
Mo1 O1 1.931(4) .
Mo1 F2 2.251(3) .
Mo1 O19 2.358(4) .
Mo1 Na2 3.543(3) .
Mo2 O16 1.697(4) .
Mo2 O15 1.706(4) .
Mo2 O6 1.925(4) .
Mo2 O1 1.926(4) .
Mo2 F3 2.249(3) .
Mo2 O19 2.369(4) .
Mo3 O11 1.704(4) .
Mo3 O12 1.712(4) .
Mo3 O2 1.925(4) .
Mo3 O3 1.935(4) .
Mo3 F2 2.260(3) .
Mo3 O21 2.368(4) .
Mo3 Na2 3.654(3) .
Mo4 O7 1.696(4) .
Mo4 O8 1.698(4) .
Mo4 O5 1.916(4) .
Mo4 O4 1.944(4) .
Mo4 F1 2.246(3) .
Mo4 O20 2.341(4) .
Mo5 O10 1.694(4) .
Mo5 O9 1.702(4) .
Mo5 O3 1.917(4) .
Mo5 O4 1.927(4) .
Mo5 F1 2.251(3) .
Mo5 O21 2.346(4) .
Mo6 O18 1.690(4) .
Mo6 O17 1.718(4) .
Mo6 O6 1.917(4) .
Mo6 O5 1.951(4) .
Mo6 F3 2.232(3) .
Mo6 O20 2.355(3) .
Mo7 O22 1.704(4) .
Mo7 O21 1.795(4) .
Mo7 O19 1.795(4) .
Mo7 O20 1.796(4) .
Na1 F2 2.266(3) .
Na1 F3 2.337(4) .
Na1 F1 2.363(4) .
Na1 O23 2.369(4) 7_666
Na1 O24 2.474(5) .
Na1 O23 2.649(5) .
Na1 Na2 3.681(4) .
Na1 Na1 3.773(4) 7_666
Na2 O27 2.327(7) .
Na2 O26 2.380(5) .
Na2 O24 2.420(5) .
Na2 O14 2.422(5) .
Na2 O12 2.567(5) .
Na2 F2 2.690(4) .
O23 Na1 2.369(4) 7_666
N1 C14 1.475(8) .
N1 C12 1.484(8) .
N1 C11 1.489(8) .
N1 C13 1.503(8) .
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 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
N2 C23 1.411(11) .
N2 C24 1.448(10) .
N2 C21 1.477(9) .
N2 C22 1.481(11) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
N3 C32 1.306(15) .
N3 C32 1.306(15) 2_756
N3 C31 1.472(11) 2_756
N3 C31 1.472(11) .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
N4 C41 1.438(11) 2_756
N4 C41 1.438(11) .
N4 C42 1.452(12) .
N4 C42 1.452(12) 2_756
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C41 H41C 0.9600 .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
