#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:51:03 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179427 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/24/4332482.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_4332482
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            'C12 H36 F3 Mo7 N3 Na2 O28'
_chemical_formula_weight         1445.00
_chemical_name_systematic
; 
 ? 
;
_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                108.660(3)
_cell_angle_beta                 93.991(3)
_cell_angle_gamma                106.434(3)
_cell_formula_units_Z            2
_cell_length_a                   11.7628(11)
_cell_length_b                   11.8564(11)
_cell_length_c                   17.0575(16)
_cell_measurement_reflns_used    1003
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      61.076
_cell_measurement_theta_min      5.121
_cell_volume                     2128.0(4)
_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 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'pho 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  0.0496
_diffrn_reflns_av_sigmaI/netI    0.0712
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            21964
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    2.116
_exptl_absorpt_correction_T_max  0.9201
_exptl_absorpt_correction_T_min  0.6769
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Sadabs, G. Sheldrick, Goettingen'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.255
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.724
_refine_diff_density_min         -0.626
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     500
_refine_ls_number_reflns         8726
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0856
_refine_ls_R_factor_gt           0.0425
_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)+(0.0362P)²+3.2051P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0808
_refine_ls_wR_factor_ref         0.0945
_reflns_number_gt                5684
_reflns_number_total             8726
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0604359sup1.cif
_cod_data_source_block           tricap
_cod_database_code               4332482
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
Mo1 Mo 0.11730(5) 0.91250(5) 0.67106(4) 0.03085(15) Uani 1 1 d .
Mo2 Mo -0.04963(5) 0.76515(5) 0.78282(4) 0.03124(15) Uani 1 1 d .
Mo3 Mo 0.36192(5) 0.84572(5) 0.61937(4) 0.02900(14) Uani 1 1 d .
Mo4 Mo 0.29822(5) 0.51048(5) 0.80611(4) 0.03111(15) Uani 1 1 d .
Mo5 Mo 0.45307(5) 0.64556(6) 0.68883(4) 0.03015(15) Uani 1 1 d .
Mo6 Mo 0.03952(5) 0.56590(5) 0.84850(4) 0.02987(15) Uani 1 1 d .
Mo7 Mo 0.28513(5) 0.83210(5) 0.82681(3) 0.02642(14) Uani 1 1 d .
Na1 Na 0.0851(2) 0.5269(2) 0.60633(15) 0.0322(6) Uani 1 1 d .
Na2 Na -0.2048(3) 0.4287(3) 0.6778(2) 0.0586(9) Uani 1 1 d .
F1 F 0.2615(3) 0.5418(3) 0.6848(2) 0.0310(8) Uani 1 1 d .
F2 F 0.1716(3) 0.7406(3) 0.6189(2) 0.0331(9) Uani 1 1 d .
F3 F 0.0187(3) 0.6033(3) 0.7277(2) 0.0307(8) Uani 1 1 d .
O1 O -0.0251(4) 0.7914(4) 0.6783(3) 0.0326(11) Uani 1 1 d .
O2 O 0.2902(4) 0.9656(4) 0.6848(3) 0.0338(11) Uani 1 1 d .
O3 O 0.3850(4) 0.6856(4) 0.5985(3) 0.0305(10) Uani 1 1 d .
O4 O 0.4400(4) 0.6293(4) 0.7969(3) 0.0333(11) Uani 1 1 d .
O5 O 0.1260(4) 0.4587(4) 0.7895(3) 0.0325(11) Uani 1 1 d .
O6 O 0.0137(4) 0.7253(4) 0.8741(3) 0.0340(11) Uani 1 1 d .
O7 O 0.3175(4) 0.3705(4) 0.7547(3) 0.0465(13) Uani 1 1 d .
O8 O 0.3355(4) 0.5332(5) 0.9098(3) 0.0458(13) Uani 1 1 d .
O9 O 0.5915(4) 0.7526(5) 0.7158(3) 0.0454(13) Uani 1 1 d .
O10 O 0.4746(4) 0.5093(5) 0.6307(3) 0.0474(13) Uani 1 1 d .
O11 O 0.5066(4) 0.9429(4) 0.6460(3) 0.0436(12) Uani 1 1 d .
O12 O 0.3189(5) 0.8339(4) 0.5188(3) 0.0453(13) Uani 1 1 d .
O13 O 0.1032(5) 1.0516(4) 0.7329(3) 0.0496(14) Uani 1 1 d .
O14 O 0.0781(5) 0.9043(5) 0.5717(3) 0.0507(14) Uani 1 1 d .
O15 O -0.1906(4) 0.6580(4) 0.7524(3) 0.0458(13) Uani 1 1 d .
O16 O -0.0701(5) 0.9014(5) 0.8399(3) 0.0507(14) Uani 1 1 d .
O17 O -0.1034(4) 0.4635(4) 0.8159(3) 0.0423(12) Uani 1 1 d .
O18 O 0.0767(5) 0.5722(4) 0.9476(3) 0.0459(13) Uani 1 1 d .
O19 O 0.1572(4) 0.8688(4) 0.7929(3) 0.0326(11) Uani 1 1 d .
O20 O 0.2375(4) 0.6944(4) 0.8534(3) 0.0329(11) Uani 1 1 d .
O21 O 0.3781(4) 0.8119(4) 0.7481(3) 0.0290(10) Uani 1 1 d .
O22 O 0.3669(4) 0.9543(4) 0.9148(3) 0.0432(13) Uani 1 1 d .
O23 O -0.0040(5) 0.2164(5) 0.6948(4) 0.0555(15) Uani 1 1 d .
O24A O 0.6539(6) 1.2385(7) 0.6646(5) 0.075(2) Uani 0.815(8) 1 d P
O24B O 0.603(3) 1.423(3) 0.756(2) 0.075(2) Uani 0.185(8) 1 d P
O25 O 0.3229(4) 0.5429(4) 0.4292(3) 0.0438(12) Uani 1 1 d .
O26 O 0.0986(4) 0.4319(4) 0.4630(3) 0.0404(12) Uani 1 1 d .
O27 O -0.0781(4) 0.3308(4) 0.5920(3) 0.0467(13) Uani 1 1 d .
O28 O 0.4534(5) 1.2092(5) 0.7603(3) 0.0565(15) Uani 1 1 d .
N1 N -0.2621(6) 0.1408(6) 0.8770(4) 0.0476(16) Uani 1 1 d .
C11 C -0.1759(10) 0.1358(10) 0.9403(7) 0.105(4) Uani 1 1 d .
H11A H -0.2137 0.1272 0.9871 0.158 Uiso 1 1 calc R
H11B H -0.1083 0.2118 0.9591 0.158 Uiso 1 1 calc R
H11C H -0.1488 0.0650 0.9164 0.158 Uiso 1 1 calc R
C12 C -0.3042(11) 0.2458(12) 0.9106(8) 0.152(7) Uani 1 1 d .
H12A H -0.3397 0.2400 0.9587 0.228 Uiso 1 1 calc R
H12B H -0.3634 0.2453 0.8686 0.228 Uiso 1 1 calc R
H12C H -0.2378 0.3226 0.9269 0.228 Uiso 1 1 calc R
C13 C -0.3608(13) 0.0267(12) 0.8520(11) 0.206(10) Uani 1 1 d .
H13A H -0.3951 0.0189 0.9002 0.310 Uiso 1 1 calc R
H13B H -0.3331 -0.0433 0.8276 0.310 Uiso 1 1 calc R
H13C H -0.4208 0.0278 0.8114 0.310 Uiso 1 1 calc R
C14 C -0.210(2) 0.154(2) 0.8114(12) 0.269(14) Uani 1 1 d .
H14A H -0.1438 0.2313 0.8300 0.403 Uiso 1 1 calc R
H14B H -0.2678 0.1555 0.7695 0.403 Uiso 1 1 calc R
H14C H -0.1808 0.0847 0.7877 0.403 Uiso 1 1 calc R
N2 N 0.2695(5) 1.1640(5) 0.4957(3) 0.0322(13) Uani 1 1 d .
C21 C 0.1863(8) 1.2058(8) 0.5529(5) 0.062(2) Uani 1 1 d .
H21A H 0.1615 1.1487 0.5824 0.094 Uiso 1 1 calc R
H21B H 0.1167 1.2064 0.5202 0.094 Uiso 1 1 calc R
H21C H 0.2273 1.2889 0.5926 0.094 Uiso 1 1 calc R
C22 C 0.2048(8) 1.0358(8) 0.4343(5) 0.068(3) Uani 1 1 d .
H22A H 0.1792 0.9790 0.4638 0.102 Uiso 1 1 calc R
H22B H 0.2577 1.0081 0.3977 0.102 Uiso 1 1 calc R
H22C H 0.1358 1.0372 0.4016 0.102 Uiso 1 1 calc R
C23 C 0.3767(7) 1.1639(9) 0.5479(6) 0.066(3) Uani 1 1 d .
H23A H 0.3512 1.1075 0.5777 0.100 Uiso 1 1 calc R
H23B H 0.4173 1.2473 0.5874 0.100 Uiso 1 1 calc R
H23C H 0.4307 1.1368 0.5121 0.100 Uiso 1 1 calc R
C24 C 0.3086(8) 1.2510(8) 0.4498(6) 0.067(3) Uani 1 1 d .
H24A H 0.3497 1.3343 0.4893 0.101 Uiso 1 1 calc R
H24B H 0.2395 1.2515 0.4166 0.101 Uiso 1 1 calc R
H24C H 0.3620 1.2236 0.4136 0.101 Uiso 1 1 calc R
N3 N 0.2767(8) 0.2713(7) 0.9997(5) 0.069(2) Uani 1 1 d .
C31 C 0.3113(14) 0.2163(15) 1.0578(8) 0.151(6) Uani 1 1 d .
H31A H 0.3915 0.2653 1.0878 0.227 Uiso 1 1 calc R
H31B H 0.3089 0.1319 1.0273 0.227 Uiso 1 1 calc R
H31C H 0.2565 0.2151 1.0969 0.227 Uiso 1 1 calc R
C32 C 0.3620(14) 0.2764(13) 0.9429(10) 0.178(9) Uani 1 1 d .
H32A H 0.4405 0.3292 0.9743 0.267 Uiso 1 1 calc R
H32B H 0.3380 0.3101 0.9027 0.267 Uiso 1 1 calc R
H32C H 0.3641 0.1931 0.9140 0.267 Uiso 1 1 calc R
C33 C 0.271(2) 0.3870(14) 1.0492(13) 0.273(15) Uani 1 1 d .
H33A H 0.3499 0.4412 1.0785 0.409 Uiso 1 1 calc R
H33B H 0.2191 0.3757 1.0892 0.409 Uiso 1 1 calc R
H33C H 0.2390 0.4243 1.0142 0.409 Uiso 1 1 calc R
C34 C 0.1644(14) 0.202(3) 0.9596(11) 0.38(2) Uani 1 1 d .
H34A H 0.1641 0.1202 0.9242 0.570 Uiso 1 1 calc R
H34B H 0.1356 0.2423 0.9259 0.570 Uiso 1 1 calc R
H34C H 0.1131 0.1924 1.0001 0.570 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
O14 Mo1 O13 104.4(2) . .
O14 Mo1 O1 98.9(2) . .
O13 Mo1 O1 102.4(2) . .
O14 Mo1 O2 101.7(2) . .
O13 Mo1 O2 97.9(2) . .
O1 Mo1 O2 146.33(18) . .
O14 Mo1 F2 88.8(2) . .
O13 Mo1 F2 165.07(19) . .
O1 Mo1 F2 81.93(15) . .
O2 Mo1 F2 72.25(15) . .
O14 Mo1 O19 165.6(2) . .
O13 Mo1 O19 88.8(2) . .
O1 Mo1 O19 72.17(17) . .
O2 Mo1 O19 81.77(17) . .
F2 Mo1 O19 78.86(14) . .
O16 Mo2 O15 104.5(2) . .
O16 Mo2 O6 98.5(2) . .
O15 Mo2 O6 101.2(2) . .
O16 Mo2 O1 101.2(2) . .
O15 Mo2 O1 99.9(2) . .
O6 Mo2 O1 146.35(18) . .
O16 Mo2 F3 166.6(2) . .
O15 Mo2 F3 86.99(19) . .
O6 Mo2 F3 72.11(15) . .
O1 Mo2 F3 83.19(15) . .
O16 Mo2 O19 91.4(2) . .
O15 Mo2 O19 163.4(2) . .
O6 Mo2 O19 81.05(17) . .
O1 Mo2 O19 71.55(17) . .
F3 Mo2 O19 78.00(14) . .
O16 Mo2 Na2 142.94(19) . .
O15 Mo2 Na2 38.91(17) . .
O6 Mo2 Na2 87.24(14) . .
O1 Mo2 Na2 93.05(14) . .
F3 Mo2 Na2 48.08(11) . .
O19 Mo2 Na2 125.68(11) . .
O11 Mo3 O12 104.0(2) . .
O11 Mo3 O3 101.0(2) . .
O12 Mo3 O3 99.9(2) . .
O11 Mo3 O2 97.4(2) . .
O12 Mo3 O2 103.0(2) . .
O3 Mo3 O2 146.06(18) . .
O11 Mo3 F2 165.50(19) . .
O12 Mo3 F2 88.4(2) . .
O3 Mo3 F2 83.91(16) . .
O2 Mo3 F2 72.11(15) . .
O11 Mo3 O21 90.4(2) . .
O12 Mo3 O21 164.7(2) . .
O3 Mo3 O21 71.78(16) . .
O2 Mo3 O21 79.87(16) . .
F2 Mo3 O21 78.10(14) . .
O7 Mo4 O8 103.9(2) . .
O7 Mo4 O4 102.7(2) . .
O8 Mo4 O4 98.0(2) . .
O7 Mo4 O5 99.7(2) . .
O8 Mo4 O5 102.3(2) . .
O4 Mo4 O5 145.06(18) . .
O7 Mo4 F1 91.73(19) . .
O8 Mo4 F1 163.23(19) . .
O4 Mo4 F1 72.21(15) . .
O5 Mo4 F1 80.69(16) . .
O7 Mo4 O20 167.7(2) . .
O8 Mo4 O20 86.6(2) . .
O4 Mo4 O20 81.76(17) . .
O5 Mo4 O20 71.47(16) . .
F1 Mo4 O20 78.67(14) . .
O9 Mo5 O10 104.1(2) . .
O9 Mo5 O4 97.6(2) . .
O10 Mo5 O4 103.5(2) . .
O9 Mo5 O3 100.4(2) . .
O10 Mo5 O3 99.0(2) . .
O4 Mo5 O3 146.75(18) . .
O9 Mo5 F1 164.0(2) . .
O10 Mo5 F1 90.6(2) . .
O4 Mo5 F1 72.46(16) . .
O3 Mo5 F1 83.22(16) . .
O9 Mo5 O21 87.8(2) . .
O10 Mo5 O21 166.3(2) . .
O4 Mo5 O21 81.36(16) . .
O3 Mo5 O21 71.67(16) . .
F1 Mo5 O21 78.56(14) . .
O18 Mo6 O17 104.0(2) . .
O18 Mo6 O6 98.7(2) . .
O17 Mo6 O6 102.2(2) . .
O18 Mo6 O5 100.5(2) . .
O17 Mo6 O5 99.8(2) . .
O6 Mo6 O5 146.22(18) . .
O18 Mo6 F3 166.83(19) . .
O17 Mo6 F3 87.40(19) . .
O6 Mo6 F3 72.07(15) . .
O5 Mo6 F3 83.69(15) . .
O18 Mo6 O20 91.0(2) . .
O17 Mo6 O20 164.1(2) . .
O6 Mo6 O20 80.36(17) . .
O5 Mo6 O20 71.81(16) . .
F3 Mo6 O20 78.41(14) . .
O18 Mo6 Na2 141.22(18) . .
O17 Mo6 Na2 37.29(17) . .
O6 Mo6 Na2 90.54(14) . .
O5 Mo6 Na2 91.63(14) . .
F3 Mo6 Na2 50.19(11) . .
O20 Mo6 Na2 127.79(12) . .
O22 Mo7 O20 108.2(2) . .
O22 Mo7 O19 107.8(2) . .
O20 Mo7 O19 110.1(2) . .
O22 Mo7 O21 108.8(2) . .
O20 Mo7 O21 110.50(19) . .
O19 Mo7 O21 111.33(19) . .
F3 Na1 F1 89.05(15) . .
F3 Na1 F2 86.09(15) . .
F1 Na1 F2 89.11(15) . .
F3 Na1 O26 164.36(19) . .
F1 Na1 O26 106.07(17) . .
F2 Na1 O26 97.86(17) . .
F3 Na1 O27 82.49(16) . .
F1 Na1 O27 110.66(17) . .
F2 Na1 O27 156.87(18) . .
O26 Na1 O27 88.32(18) . .
F3 Na1 O26 84.14(15) . 2_566
F1 Na1 O26 166.33(17) . 2_566
F2 Na1 O26 78.63(15) . 2_566
O26 Na1 O26 81.85(18) . 2_566
O27 Na1 O26 80.24(17) . 2_566
F3 Na1 Na2 47.03(11) . .
F1 Na1 Na2 119.46(13) . .
F2 Na1 Na2 119.39(13) . .
O26 Na1 Na2 119.29(15) . .
O27 Na1 Na2 40.58(13) . .
O26 Na1 Na2 63.21(12) 2_566 .
F3 Na1 Na1 122.27(15) . 2_566
F1 Na1 Na1 148.03(16) . 2_566
F2 Na1 Na1 87.09(13) . 2_566
O26 Na1 Na1 43.40(12) . 2_566
O27 Na1 Na1 82.18(14) . 2_566
O26 Na1 Na1 38.45(11) 2_566 2_566
Na2 Na1 Na1 89.68(10) . 2_566
O24A Na2 O25 93.0(2) 1_445 2_566
O24A Na2 O17 94.8(2) 1_445 .
O25 Na2 O17 159.6(2) 2_566 .
O24A Na2 O27 94.2(3) 1_445 .
O25 Na2 O27 98.5(2) 2_566 .
O17 Na2 O27 99.7(2) . .
O24A Na2 O15 132.9(3) 1_445 .
O25 Na2 O15 80.49(18) 2_566 .
O17 Na2 O15 80.40(18) . .
O27 Na2 O15 132.9(2) . .
O24A Na2 O24B 59.2(8) 1_445 1_445
O25 Na2 O24B 85.4(7) 2_566 1_445
O17 Na2 O24B 82.4(7) . 1_445
O27 Na2 O24B 153.3(8) . 1_445
O15 Na2 O24B 73.8(7) . 1_445
O24A Na2 F3 153.8(2) 1_445 .
O25 Na2 F3 111.86(19) 2_566 .
O17 Na2 F3 64.68(15) . .
O27 Na2 F3 74.89(16) . .
O15 Na2 F3 62.56(15) . .
O24B Na2 F3 128.2(7) 1_445 .
O24A Na2 Mo6 118.3(2) 1_445 .
O25 Na2 Mo6 147.43(17) 2_566 .
O17 Na2 Mo6 25.22(11) . .
O27 Na2 Mo6 88.51(14) . .
O15 Na2 Mo6 71.75(13) . .
O24B Na2 Mo6 102.3(7) 1_445 .
F3 Na2 Mo6 39.52(8) . .
O24A Na2 Mo2 153.3(2) 1_445 .
O25 Na2 Mo2 93.50(15) 2_566 .
O17 Na2 Mo2 71.54(13) . .
O27 Na2 Mo2 110.34(16) . .
O15 Na2 Mo2 24.72(11) . .
O24B Na2 Mo2 95.6(7) 1_445 .
F3 Na2 Mo2 37.84(8) . .
Mo6 Na2 Mo2 54.56(5) . .
O24A Na2 Na1 135.9(2) 1_445 .
O25 Na2 Na1 95.61(16) 2_566 .
O17 Na2 Na1 91.86(15) . .
O27 Na2 Na1 41.78(13) . .
O15 Na2 Na1 91.18(15) . .
O24B Na2 Na1 164.6(8) 1_445 .
F3 Na2 Na1 37.57(9) . .
Mo6 Na2 Na1 68.86(7) . .
Mo2 Na2 Na1 68.94(7) . .
Mo5 F1 Mo4 94.46(13) . .
Mo5 F1 Na1 131.17(17) . .
Mo4 F1 Na1 132.08(17) . .
Mo3 F2 Mo1 95.12(12) . .
Mo3 F2 Na1 129.12(16) . .
Mo1 F2 Na1 133.40(17) . .
Mo2 F3 Mo6 94.28(12) . .
Mo2 F3 Na1 134.50(17) . .
Mo6 F3 Na1 129.99(16) . .
Mo2 F3 Na2 94.08(14) . .
Mo6 F3 Na2 90.29(13) . .
Na1 F3 Na2 95.40(15) . .
Mo1 O1 Mo2 121.4(2) . .
Mo1 O2 Mo3 117.1(2) . .
Mo3 O3 Mo5 120.9(2) . .
Mo4 O4 Mo5 117.9(2) . .
Mo4 O5 Mo6 122.4(2) . .
Mo6 O6 Mo2 118.2(2) . .
Mo2 O15 Na2 116.4(2) . .
Mo6 O17 Na2 117.5(2) . .
Mo7 O19 Mo1 127.6(2) . .
Mo7 O19 Mo2 129.5(2) . .
Mo1 O19 Mo2 90.93(15) . .
Mo7 O20 Mo6 129.4(2) . .
Mo7 O20 Mo4 127.8(2) . .
Mo6 O20 Mo4 89.80(14) . .
Mo7 O21 Mo5 129.9(2) . .
Mo7 O21 Mo3 129.1(2) . .
Mo5 O21 Mo3 90.82(15) . .
Na1 O26 Na1 98.15(17) . 2_566
Na2 O27 Na1 97.64(19) . .
C14 N1 C13 111.4(14) . .
C14 N1 C12 107.8(11) . .
C13 N1 C12 109.6(10) . .
C14 N1 C11 110.1(11) . .
C13 N1 C11 107.2(9) . .
C12 N1 C11 110.9(7) . .
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 . .
C24 N2 C22 109.2(6) . .
C24 N2 C23 109.6(6) . .
C22 N2 C23 110.5(6) . .
C24 N2 C21 110.2(6) . .
C22 N2 C21 108.9(6) . .
C23 N2 C21 108.5(6) . .
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 . .
C34 N3 C33 106.4(15) . .
C34 N3 C31 107.9(15) . .
C33 N3 C31 105.5(12) . .
C34 N3 C32 112.5(12) . .
C33 N3 C32 115.1(10) . .
C31 N3 C32 108.9(10) . .
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 . .
N3 C33 H33A 109.5 . .
N3 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
N3 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
N3 C34 H34A 109.5 . .
N3 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
N3 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O14 1.689(5) .
Mo1 O13 1.711(5) .
Mo1 O1 1.915(4) .
Mo1 O2 1.924(4) .
Mo1 F2 2.239(3) .
Mo1 O19 2.346(4) .
Mo2 O16 1.691(5) .
Mo2 O15 1.702(5) .
Mo2 O6 1.927(4) .
Mo2 O1 1.932(4) .
Mo2 F3 2.243(3) .
Mo2 O19 2.361(4) .
Mo2 Na2 3.648(3) .
Mo3 O11 1.697(5) .
Mo3 O12 1.705(5) .
Mo3 O3 1.918(4) .
Mo3 O2 1.942(4) .
Mo3 F2 2.231(3) .
Mo3 O21 2.359(4) .
Mo4 O7 1.699(5) .
Mo4 O8 1.707(5) .
Mo4 O4 1.908(5) .
Mo4 O5 1.915(4) .
Mo4 F1 2.250(3) .
Mo4 O20 2.398(4) .
Mo5 O9 1.681(5) .
Mo5 O10 1.703(4) .
Mo5 O4 1.926(4) .
Mo5 O3 1.937(4) .
Mo5 F1 2.225(4) .
Mo5 O21 2.350(4) .
Mo6 O18 1.688(5) .
Mo6 O17 1.701(5) .
Mo6 O6 1.915(4) .
Mo6 O5 1.928(4) .
Mo6 F3 2.254(3) .
Mo6 O20 2.374(4) .
Mo6 Na2 3.542(3) .
Mo7 O22 1.701(4) .
Mo7 O20 1.782(4) .
Mo7 O19 1.788(4) .
Mo7 O21 1.790(4) .
Na1 F3 2.268(4) .
Na1 F1 2.321(4) .
Na1 F2 2.380(4) .
Na1 O26 2.380(5) .
Na1 O27 2.489(5) .
Na1 O26 2.630(5) 2_566
Na1 Na2 3.702(4) .
Na1 Na1 3.789(5) 2_566
Na2 O24A 2.324(8) 1_445
Na2 O25 2.383(6) 2_566
Na2 O17 2.419(6) .
Na2 O27 2.430(6) .
Na2 O15 2.557(6) .
Na2 O24B 2.70(3) 1_445
Na2 F3 2.721(5) .
N1 C14 1.345(14) .
N1 C13 1.425(13) .
N1 C12 1.435(11) .
N1 C11 1.457(10) .
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 C24 1.478(9) .
N2 C22 1.485(9) .
N2 C23 1.493(9) .
N2 C21 1.501(9) .
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 C34 1.338(17) .
N3 C33 1.386(14) .
N3 C31 1.443(13) .
N3 C32 1.443(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 .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
