#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:34:15 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179536 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/05/4500555.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_4500555
loop_
_publ_author_name
'Singh, Monika'
'Ramanan, Arunachalam'
_publ_section_title
;
 Crystal Engineering of Polyoxomolybdates Based Metal--Organic Solids: The
 Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination
 Polymers
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3381
_journal_paper_doi               10.1021/cg101695w
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety
'C12 H8 Cr Mo6 N2 Na O28, 2(C6 H6 N O2), 4(O)'
_chemical_formula_sum            'C24 H20 Cr Mo6 N4 Na O36'
_chemical_formula_weight         1591.07
_chemical_name_common            anderson
_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           'SHELXTL-NT2000 ver.6.12'
_cell_angle_alpha                97.351(9)
_cell_angle_beta                 112.286(8)
_cell_angle_gamma                113.523(8)
_cell_formula_units_Z            1
_cell_length_a                   10.514(5)
_cell_length_b                   10.655(5)
_cell_length_c                   12.295(6)
_cell_measurement_reflns_used    4360
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.07
_cell_measurement_theta_min      2.21
_cell_volume                     1103.4(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.982
_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  0.0304
_diffrn_reflns_av_sigmaI/netI    0.0384
_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       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10269
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    2.015
_exptl_absorpt_correction_T_max  0.674
_exptl_absorpt_correction_T_min  0.448
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    2.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             767.0
_exptl_crystal_size_max          0.532
_exptl_crystal_size_mid          0.334
_exptl_crystal_size_min          0.198
_refine_diff_density_max         0.874
_refine_diff_density_min         -1.019
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     329
_refine_ls_number_reflns         3901
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0476
_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)+(0.0308P)²+5.9432P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0997
_refine_ls_wR_factor_ref         0.1021
_reflns_number_gt                3618
_reflns_number_total             3901
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg101695w_si_002.cif
_cod_data_source_block           9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               4500555
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
Cr1 Cr 0.0000 0.5000 0.5000 0.0206(3) Uani 1 2 d S
Mo1 Mo -0.08126(6) 0.52163(6) 0.73773(5) 0.02387(16) Uani 1 1 d .
Mo2 Mo -0.16582(6) 0.18013(5) 0.28586(5) 0.02063(15) Uani 1 1 d .
Mo3 Mo -0.24759(6) 0.20053(6) 0.52134(5) 0.02320(16) Uani 1 1 d .
Na1 Na 0.0000 0.0000 0.5000 0.0565(13) Uani 1 2 d S
O1 O 0.0467(6) 0.5751(5) 0.8918(4) 0.0375(11) Uani 1 1 d .
O2 O -0.0330(5) 0.7052(5) 0.7087(4) 0.0273(10) Uani 1 1 d .
O3 O -0.2594(5) 0.4808(5) 0.7286(4) 0.0372(11) Uani 1 1 d .
O4 O 0.1883(5) 0.5673(4) 0.4738(4) 0.0221(9) Uani 1 1 d .
O5 O -0.1192(4) 0.4185(4) 0.3153(3) 0.0195(9) Uani 1 1 d .
O6 O -0.2913(5) 0.1216(5) 0.1303(4) 0.0330(11) Uani 1 1 d .
O7 O -0.1375(5) 0.0383(5) 0.3137(4) 0.0300(10) Uani 1 1 d .
O8 O -0.3235(5) 0.1608(4) 0.3410(4) 0.0246(9) Uani 1 1 d .
O9 O -0.2173(6) 0.0565(5) 0.5405(4) 0.0346(11) Uani 1 1 d .
O10 O -0.4247(5) 0.1598(5) 0.5138(4) 0.0368(11) Uani 1 1 d .
O11 O -0.0357(4) 0.3034(4) 0.4906(3) 0.0196(9) Uani 1 1 d .
O12 O -0.1051(5) 0.3277(4) 0.6940(4) 0.0269(10) Uani 1 1 d .
O13 O 0.1813(6) 0.2524(5) 0.6073(5) 0.0454(13) Uani 1 1 d .
O14 O 0.2903(6) 0.4462(6) 0.7762(5) 0.0481(14) Uani 1 1 d .
O15 O 0.5371(6) 0.7909(6) 0.8022(5) 0.0442(13) Uani 1 1 d .
H15 H 0.4824 0.8258 0.7681 0.066 Uiso 1 1 calc R
O16 O 0.7361(6) 1.0205(6) 0.8836(5) 0.0451(13) Uani 1 1 d .
N1 N 0.6117(7) 0.2042(7) 0.9029(6) 0.0389(14) Uani 1 1 d .
N2 N 0.9481(7) 0.7457(7) 1.1219(5) 0.0368(14) Uani 1 1 d .
H2 H 0.9989 0.7145 1.1737 0.044 Uiso 1 1 calc R
C1 C 0.2829(8) 0.3381(8) 0.7171(7) 0.0340(16) Uani 1 1 d .
C2 C 0.4049(7) 0.2942(7) 0.7829(6) 0.0281(14) Uani 1 1 d .
C3 C 0.4535(8) 0.2240(8) 0.7179(6) 0.0334(16) Uani 1 1 d .
H3 H 0.4145 0.2057 0.6326 0.040 Uiso 1 1 calc R
C4 C 0.5595(8) 0.1818(7) 0.7808(7) 0.0362(16) Uani 1 1 d .
H4 H 0.5953 0.1374 0.7384 0.043 Uiso 1 1 calc R
C5 C 0.5694(9) 0.2736(8) 0.9680(7) 0.0409(18) Uani 1 1 d .
H5 H 0.6092 0.2892 1.0531 0.049 Uiso 1 1 calc R
C6 C 0.4681(8) 0.3218(8) 0.9109(6) 0.0345(16) Uani 1 1 d .
H6 H 0.4413 0.3730 0.9572 0.041 Uiso 1 1 calc R
C7 C 0.6833(8) 0.8962(8) 0.8771(6) 0.0327(16) Uani 1 1 d .
C8 C 0.7806(8) 0.8405(7) 0.9620(6) 0.0282(14) Uani 1 1 d .
C9 C 0.7507(8) 0.6992(8) 0.9236(7) 0.0359(16) Uani 1 1 d .
H9 H 0.6725 0.6358 0.8441 0.043 Uiso 1 1 calc R
C10 C 0.8407(9) 0.6554(8) 1.0071(7) 0.0385(17) Uani 1 1 d .
H10 H 0.8262 0.5623 0.9830 0.046 Uiso 1 1 calc R
C11 C 0.9799(9) 0.8825(8) 1.1595(7) 0.0401(17) Uani 1 1 d .
H11 H 1.0567 0.9433 1.2400 0.048 Uiso 1 1 calc R
C12 C 0.8969(8) 0.9337(8) 1.0771(6) 0.0340(16) Uani 1 1 d .
H12 H 0.9208 1.0301 1.1004 0.041 Uiso 1 1 calc R
O1W O 0.4416(8) 0.5342(8) 0.5857(7) 0.082(2) Uani 1 1 d .
O2W O 0.7229(9) 0.7826(9) 0.6380(8) 0.087(2) Uani 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'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
O11 Cr1 O11 180.000(1) 2_566 .
O11 Cr1 O4 97.09(16) 2_566 2_566
O11 Cr1 O4 82.91(16) . 2_566
O11 Cr1 O4 82.91(16) 2_566 .
O11 Cr1 O4 97.09(16) . .
O4 Cr1 O4 180.000(1) 2_566 .
O11 Cr1 O5 95.56(16) 2_566 .
O11 Cr1 O5 84.44(16) . .
O4 Cr1 O5 95.77(16) 2_566 .
O4 Cr1 O5 84.23(16) . .
O11 Cr1 O5 84.44(16) 2_566 2_566
O11 Cr1 O5 95.56(16) . 2_566
O4 Cr1 O5 84.23(16) 2_566 2_566
O4 Cr1 O5 95.77(16) . 2_566
O5 Cr1 O5 180.000(1) . 2_566
O3 Mo1 O1 106.1(2) . .
O3 Mo1 O2 97.6(2) . .
O1 Mo1 O2 101.8(2) . .
O3 Mo1 O12 100.6(2) . .
O1 Mo1 O12 96.4(2) . .
O2 Mo1 O12 149.45(17) . .
O3 Mo1 O4 92.15(19) . 2_566
O1 Mo1 O4 160.1(2) . 2_566
O2 Mo1 O4 83.12(17) . 2_566
O12 Mo1 O4 71.94(15) . 2_566
O3 Mo1 O5 160.70(19) . 2_566
O1 Mo1 O5 92.14(19) . 2_566
O2 Mo1 O5 72.01(15) . 2_566
O12 Mo1 O5 83.08(16) . 2_566
O4 Mo1 O5 70.82(14) 2_566 2_566
O7 Mo2 O6 105.6(2) . .
O7 Mo2 O2 97.1(2) . 2_566
O6 Mo2 O2 101.0(2) . 2_566
O7 Mo2 O8 101.12(19) . .
O6 Mo2 O8 96.2(2) . .
O2 Mo2 O8 150.46(18) 2_566 .
O7 Mo2 O11 91.16(18) . .
O6 Mo2 O11 161.47(18) . .
O2 Mo2 O11 84.22(17) 2_566 .
O8 Mo2 O11 72.43(16) . .
O7 Mo2 O5 159.12(18) . .
O6 Mo2 O5 93.98(18) . .
O2 Mo2 O5 71.63(16) 2_566 .
O8 Mo2 O5 83.48(16) . .
O11 Mo2 O5 70.63(14) . .
O10 Mo3 O9 107.2(2) . .
O10 Mo3 O12 100.8(2) . .
O9 Mo3 O12 96.35(19) . .
O10 Mo3 O8 95.1(2) . .
O9 Mo3 O8 101.03(19) . .
O12 Mo3 O8 151.73(18) . .
O10 Mo3 O11 159.32(19) . .
O9 Mo3 O11 91.41(19) . .
O12 Mo3 O11 85.48(16) . .
O8 Mo3 O11 72.05(15) . .
O10 Mo3 O4 92.92(19) . 2_566
O9 Mo3 O4 158.51(19) . 2_566
O12 Mo3 O4 72.02(16) . 2_566
O8 Mo3 O4 84.08(16) . 2_566
O11 Mo3 O4 70.13(14) . 2_566
O7 Na1 O7 180.00(16) . 2_556
O7 Na1 O13 86.57(16) . 2_556
O7 Na1 O13 93.43(16) 2_556 2_556
O7 Na1 O13 93.43(16) . .
O7 Na1 O13 86.57(16) 2_556 .
O13 Na1 O13 180.0(4) 2_556 .
O7 Na1 O9 76.33(14) . .
O7 Na1 O9 103.67(14) 2_556 .
O13 Na1 O9 93.70(16) 2_556 .
O13 Na1 O9 86.30(16) . .
O7 Na1 O9 103.67(14) . 2_556
O7 Na1 O9 76.33(14) 2_556 2_556
O13 Na1 O9 86.30(16) 2_556 2_556
O13 Na1 O9 93.70(16) . 2_556
O9 Na1 O9 180.000(1) . 2_556
Mo2 O2 Mo1 120.0(2) 2_566 .
Cr1 O4 Mo3 102.52(17) . 2_566
Cr1 O4 Mo1 102.92(17) . 2_566
Mo3 O4 Mo1 94.22(14) 2_566 2_566
Cr1 O5 Mo1 101.98(16) . 2_566
Cr1 O5 Mo2 100.32(15) . .
Mo1 O5 Mo2 91.82(13) 2_566 .
Mo2 O7 Na1 132.8(2) . .
Mo2 O8 Mo3 115.19(19) . .
Mo3 O9 Na1 125.8(2) . .
Cr1 O11 Mo2 104.56(16) . .
Cr1 O11 Mo3 104.43(16) . .
Mo2 O11 Mo3 95.10(15) . .
Mo3 O12 Mo1 117.8(2) . .
C1 O13 Na1 139.5(5) . .
C7 O15 H15 109.5 . .
C5 N1 C4 121.7(6) . .
C10 N2 C11 122.4(6) . .
C10 N2 H2 118.8 . .
C11 N2 H2 118.8 . .
O14 C1 O13 128.5(6) . .
O14 C1 C2 117.9(6) . .
O13 C1 C2 113.6(6) . .
C3 C2 C6 118.6(6) . .
C3 C2 C1 121.5(6) . .
C6 C2 C1 119.9(6) . .
C4 C3 C2 119.3(6) . .
C4 C3 H3 120.4 . .
C2 C3 H3 120.4 . .
N1 C4 C3 120.3(6) . .
N1 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
N1 C5 C6 120.4(6) . .
N1 C5 H5 119.8 . .
C6 C5 H5 119.8 . .
C5 C6 C2 119.6(6) . .
C5 C6 H6 120.2 . .
C2 C6 H6 120.2 . .
O16 C7 O15 126.7(6) . .
O16 C7 C8 122.1(7) . .
O15 C7 C8 111.1(6) . .
C12 C8 C9 121.0(6) . .
C12 C8 C7 117.8(6) . .
C9 C8 C7 121.2(6) . .
C10 C9 C8 117.8(7) . .
C10 C9 H9 121.1 . .
C8 C9 H9 121.1 . .
N2 C10 C9 120.4(7) . .
N2 C10 H10 119.8 . .
C9 C10 H10 119.8 . .
N2 C11 C12 119.4(7) . .
N2 C11 H11 120.3 . .
C12 C11 H11 120.3 . .
C8 C12 C11 118.9(7) . .
C8 C12 H12 120.6 . .
C11 C12 H12 120.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cr1 O11 1.955(4) 2_566
Cr1 O4 1.987(4) 2_566
Cr1 O5 1.987(4) 2_566
Mo1 O3 1.699(5) .
Mo1 O1 1.703(5) .
Mo1 O2 1.932(4) .
Mo1 O12 1.955(4) .
Mo1 O4 2.286(4) 2_566
Mo1 O5 2.313(4) 2_566
Mo2 O7 1.704(4) .
Mo2 O6 1.706(4) .
Mo2 O2 1.924(4) 2_566
Mo2 O8 1.967(4) .
Mo2 O11 2.245(4) .
Mo2 O5 2.336(4) .
Mo3 O10 1.696(5) .
Mo3 O9 1.714(4) .
Mo3 O12 1.954(4) .
Mo3 O8 1.970(4) .
Mo3 O11 2.259(4) .
Mo3 O4 2.283(4) 2_566
Na1 O7 2.387(4) .
Na1 O7 2.387(4) 2_556
Na1 O13 2.388(5) 2_556
Na1 O13 2.388(5) .
Na1 O9 2.777(5) .
Na1 O9 2.777(5) 2_556
O2 Mo2 1.924(4) 2_566
O4 Mo3 2.283(4) 2_566
O4 Mo1 2.286(4) 2_566
O5 Mo1 2.313(4) 2_566
O13 C1 1.269(8) .
O14 C1 1.238(8) .
O15 C7 1.324(9) .
O15 H15 0.8200 .
O16 C7 1.192(8) .
N1 C5 1.328(9) .
N1 C4 1.339(9) .
N2 C10 1.330(9) .
N2 C11 1.331(9) .
N2 H2 0.8600 .
C1 C2 1.518(9) .
C2 C3 1.386(9) .
C2 C6 1.392(9) .
C3 C4 1.370(9) .
C3 H3 0.9300 .
C4 H4 0.9300 .
C5 C6 1.361(9) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.524(9) .
C8 C12 1.357(10) .
C8 C9 1.385(9) .
C9 C10 1.381(9) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.391(10) .
C11 H11 0.9300 .
C12 H12 0.9300 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O3 Mo1 O2 Mo2 177.2(3) . 2_566
O1 Mo1 O2 Mo2 68.9(3) . 2_566
O12 Mo1 O2 Mo2 -56.5(5) . 2_566
O4 Mo1 O2 Mo2 -91.6(2) 2_566 2_566
O5 Mo1 O2 Mo2 -19.5(2) 2_566 2_566
O11 Cr1 O4 Mo3 179.13(15) . 2_566
O5 Cr1 O4 Mo3 95.49(17) . 2_566
O11 Cr1 O4 Mo1 81.76(17) . 2_566
O5 Cr1 O4 Mo1 178.12(16) 2_566 2_566
O11 Cr1 O5 Mo1 84.12(16) 2_566 2_566
O4 Cr1 O5 Mo1 1.85(15) . 2_566
O11 Cr1 O5 Mo2 178.23(15) 2_566 .
O4 Cr1 O5 Mo2 95.96(17) . .
O7 Mo2 O5 Cr1 -28.9(6) . .
O6 Mo2 O5 Cr1 171.1(2) . .
O2 Mo2 O5 Cr1 -88.62(19) 2_566 .
O8 Mo2 O5 Cr1 75.26(18) . .
O11 Mo2 O5 Cr1 1.63(14) . .
O7 Mo2 O5 Mo1 73.6(5) . 2_566
O6 Mo2 O5 Mo1 -86.42(19) . 2_566
O2 Mo2 O5 Mo1 13.91(15) 2_566 2_566
O8 Mo2 O5 Mo1 177.78(15) . 2_566
O11 Mo2 O5 Mo1 104.15(16) . 2_566
O6 Mo2 O7 Na1 -174.9(3) . .
O2 Mo2 O7 Na1 81.5(3) 2_566 .
O8 Mo2 O7 Na1 -75.1(3) . .
O11 Mo2 O7 Na1 -2.8(3) . .
O5 Mo2 O7 Na1 25.9(7) . .
O13 Na1 O7 Mo2 152.5(3) 2_556 .
O13 Na1 O7 Mo2 -27.5(3) . .
O9 Na1 O7 Mo2 57.8(3) . .
O9 Na1 O7 Mo2 -122.2(3) 2_556 .
O7 Mo2 O8 Mo3 67.9(3) . .
O6 Mo2 O8 Mo3 175.2(2) . .
O2 Mo2 O8 Mo3 -59.2(4) 2_566 .
O11 Mo2 O8 Mo3 -19.78(19) . .
O5 Mo2 O8 Mo3 -91.5(2) . .
O10 Mo3 O8 Mo2 -176.9(2) . .
O9 Mo3 O8 Mo2 -68.2(3) . .
O12 Mo3 O8 Mo2 58.7(4) . .
O11 Mo3 O8 Mo2 19.69(18) . .
O4 Mo3 O8 Mo2 90.7(2) 2_566 .
O10 Mo3 O9 Na1 162.9(2) . .
O12 Mo3 O9 Na1 -93.7(3) . .
O8 Mo3 O9 Na1 63.9(3) . .
O11 Mo3 O9 Na1 -8.1(2) . .
O4 Mo3 O9 Na1 -38.1(6) 2_566 .
O7 Na1 O9 Mo3 129.6(3) 2_556 .
O13 Na1 O9 Mo3 44.0(3) . .
O4 Cr1 O11 Mo2 98.42(18) 2_566 .
O4 Cr1 O11 Mo2 -81.58(18) . .
O5 Cr1 O11 Mo2 1.87(16) . .
O4 Cr1 O11 Mo3 179.11(16) . .
O5 Cr1 O11 Mo3 82.57(17) 2_566 .
O7 Mo2 O11 Cr1 167.9(2) . .
O6 Mo2 O11 Cr1 -36.8(7) . .
O2 Mo2 O11 Cr1 70.85(19) 2_566 .
O8 Mo2 O11 Cr1 -90.82(19) . .
O5 Mo2 O11 Cr1 -1.68(14) . .
O7 Mo2 O11 Mo3 -85.75(18) . .
O6 Mo2 O11 Mo3 69.5(6) . .
O2 Mo2 O11 Mo3 177.21(16) 2_566 .
O8 Mo2 O11 Mo3 15.54(15) . .
O5 Mo2 O11 Mo3 104.69(16) . .
O10 Mo3 O11 Cr1 37.2(6) . .
O9 Mo3 O11 Cr1 -167.9(2) . .
O12 Mo3 O11 Cr1 -71.69(18) . .
O8 Mo3 O11 Cr1 90.92(19) . .
O4 Mo3 O11 Cr1 0.82(14) 2_566 .
O10 Mo3 O11 Mo2 -69.2(6) . .
O9 Mo3 O11 Mo2 85.58(18) . .
O12 Mo3 O11 Mo2 -178.16(16) . .
O8 Mo3 O11 Mo2 -15.56(15) . .
O4 Mo3 O11 Mo2 -105.66(16) 2_566 .
O10 Mo3 O12 Mo1 -71.8(3) . .
O9 Mo3 O12 Mo1 179.2(3) . .
O8 Mo3 O12 Mo1 51.4(5) . .
O11 Mo3 O12 Mo1 88.3(2) . .
O4 Mo3 O12 Mo1 17.7(2) 2_566 .
O3 Mo1 O12 Mo3 71.1(3) . .
O1 Mo1 O12 Mo3 178.8(3) . .
O2 Mo1 O12 Mo3 -54.6(5) . .
O4 Mo1 O12 Mo3 -17.7(2) 2_566 .
O5 Mo1 O12 Mo3 -89.8(2) 2_566 .
O7 Na1 O13 C1 166.3(7) . .
O9 Na1 O13 C1 90.3(7) . .
Na1 O13 C1 O14 -124.0(7) . .
Na1 O13 C1 C2 53.2(10) . .
O14 C1 C2 C3 -150.5(7) . .
O13 C1 C2 C3 32.0(9) . .
O14 C1 C2 C6 30.9(10) . .
O13 C1 C2 C6 -146.6(7) . .
C6 C2 C3 C4 1.1(10) . .
C1 C2 C3 C4 -177.5(6) . .
C5 N1 C4 C3 -3.4(11) . .
C2 C3 C4 N1 2.1(11) . .
C4 N1 C5 C6 1.3(12) . .
N1 C5 C6 C2 2.0(12) . .
C3 C2 C6 C5 -3.1(10) . .
C1 C2 C6 C5 175.6(7) . .
O16 C7 C8 C12 29.3(10) . .
O15 C7 C8 C12 -148.6(6) . .
O16 C7 C8 C9 -151.2(7) . .
O15 C7 C8 C9 30.9(9) . .
C12 C8 C9 C10 1.4(10) . .
C7 C8 C9 C10 -178.1(6) . .
C11 N2 C10 C9 -3.7(11) . .
C8 C9 C10 N2 2.5(11) . .
C10 N2 C11 C12 0.9(11) . .
C9 C8 C12 C11 -4.1(10) . .
C7 C8 C12 C11 175.4(6) . .
N2 C11 C12 C8 3.0(10) . .
