#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:36:11 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179903 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/99/7019911.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_7019911
loop_
_publ_author_name
'Rosnes, Mali H.'
'Yvon, Carine'
'Long, De-Liang'
'Cronin, Leroy'
_publ_section_title
;
 Mapping the synthesis of low nuclearity polyoxometalates from
 octamolybdates to Mn-Anderson clusters.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10071
_journal_page_last               10079
_journal_paper_doi               10.1039/c2dt31008b
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C20 H52 Mn Mo6 N6 Na3 O32'
_chemical_formula_weight         1588.23
_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                109.102(2)
_cell_angle_beta                 92.590(2)
_cell_angle_gamma                93.587(2)
_cell_formula_units_Z            1
_cell_length_a                   8.6386(4)
_cell_length_b                   10.0132(5)
_cell_length_c                   14.3392(8)
_cell_measurement_reflns_used    9960
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      62.9
_cell_measurement_theta_min      4.37
_cell_volume                     1166.91(10)
_computing_cell_refinement       Apex2
_computing_data_collection       Apex2
_computing_data_reduction        Apex2
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker AXS Apex II Quasar'
_diffrn_measurement_method       'ω & π 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  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0259
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16581
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.16
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    1.953
_exptl_absorpt_correction_T_max  0.9620
_exptl_absorpt_correction_T_min  0.7716
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.260
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             780
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.69
_refine_diff_density_rms         0.09
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         4556
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0246
_refine_ls_R_factor_gt           0.0202
_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)+(0.0214P)²+1.3755P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0494
_refine_ls_wR_factor_ref         0.0524
_reflns_number_gt                4071
_reflns_number_total             4556
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c2dt31008b_4.cif
_cod_data_source_block           mr8622
_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 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7019911
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
Mo1 Mo 0.01240(2) 0.33523(2) 0.259428(16) 0.01069(6) Uani 1 1 d . . .
Mo2 Mo 0.23592(2) 0.24070(2) 0.419362(16) 0.01059(6) Uani 1 1 d . . .
Mo3 Mo -0.23948(2) 0.58226(2) 0.338863(16) 0.01037(6) Uani 1 1 d . . .
Mn1 Mn 0.0000 0.5000 0.5000 0.00843(11) Uani 1 2 d S . .
Na1 Na 0.5000 0.0000 0.0000 0.0192(3) Uani 1 2 d S . .
Na2 Na 0.42883(12) 0.25499(12) 0.18526(8) 0.0192(2) Uani 1 1 d . . .
O1 O -0.0551(2) 0.51896(18) 0.27301(12) 0.0125(4) Uani 1 1 d . . .
O2 O 0.1732(2) 0.33731(19) 0.19451(13) 0.0166(4) Uani 1 1 d . . .
O3 O -0.1296(2) 0.22974(19) 0.17638(13) 0.0177(4) Uani 1 1 d . . .
O4 O 0.15594(19) 0.46134(18) 0.40484(12) 0.0105(4) Uani 1 1 d . . .
O5 O 0.0600(2) 0.20330(18) 0.32586(13) 0.0126(4) Uani 1 1 d . . .
O6 O 0.3793(2) 0.2458(2) 0.34153(13) 0.0160(4) Uani 1 1 d . . .
O7 O 0.2411(2) 0.08158(19) 0.43720(14) 0.0181(4) Uani 1 1 d . . .
O8 O -0.05408(19) 0.68569(18) 0.46986(12) 0.0108(4) Uani 1 1 d . . .
O9 O 0.33855(19) 0.37292(18) 0.53900(12) 0.0124(4) Uani 1 1 d . . .
O10 O -0.2557(2) 0.7327(2) 0.30986(14) 0.0182(4) Uani 1 1 d . . .
O11 O -0.3808(2) 0.46134(19) 0.26463(13) 0.0156(4) Uani 1 1 d . . .
O12 O 0.14859(19) 0.60151(18) 0.60772(12) 0.0105(4) Uani 1 1 d . . .
O14 O 0.2687(2) 0.0073(2) 0.08245(15) 0.0272(5) Uani 1 1 d . . .
O15 O 0.4969(3) 0.2521(2) 0.03123(15) 0.0326(5) Uani 1 1 d D . .
C1 C 0.2360(3) 0.7194(3) 0.48714(18) 0.0115(5) Uani 1 1 d . . .
C2 C 0.2662(3) 0.5785(3) 0.40840(19) 0.0134(5) Uani 1 1 d . . .
H2A H 0.2623 0.5912 0.3427 0.016 Uiso 1 1 calc R . .
H2B H 0.3723 0.5542 0.4221 0.016 Uiso 1 1 calc R . .
C3 C 0.2528(3) 0.7088(3) 0.59161(19) 0.0129(5) Uani 1 1 d . . .
H3A H 0.3610 0.6890 0.6047 0.016 Uiso 1 1 calc R . .
H3B H 0.2349 0.8019 0.6402 0.016 Uiso 1 1 calc R . .
C4 C 0.0813(3) 0.7752(3) 0.4657(2) 0.0141(5) Uani 1 1 d . . .
H4A H 0.0747 0.8709 0.5142 0.017 Uiso 1 1 calc R . .
H4B H 0.0806 0.7846 0.3990 0.017 Uiso 1 1 calc R . .
N2 N 0.6528(8) 0.3737(7) -0.0463(5) 0.024(2) Uiso 0.605(5) 1 d PD A 1
C5 C 0.6228(6) 0.3318(5) 0.0299(3) 0.0219(12) Uani 0.605(5) 1 d PD A 1
H5 H 0.6953 0.3606 0.0860 0.026 Uiso 0.605(5) 1 calc PR A 1
C6 C 0.7888(7) 0.4666(6) -0.0449(5) 0.0410(16) Uani 0.605(5) 1 d PD A 1
H6A H 0.8497 0.4892 0.0184 0.062 Uiso 0.605(5) 1 calc PR A 1
H6B H 0.7563 0.5543 -0.0532 0.062 Uiso 0.605(5) 1 calc PR A 1
H6C H 0.8525 0.4192 -0.0990 0.062 Uiso 0.605(5) 1 calc PR A 1
C7 C 0.5456(7) 0.3290(6) -0.1362(4) 0.0374(16) Uani 0.605(5) 1 d PD A 1
H7A H 0.4551 0.2723 -0.1264 0.056 Uiso 0.605(5) 1 calc PR A 1
H7B H 0.5993 0.2720 -0.1926 0.056 Uiso 0.605(5) 1 calc PR A 1
H7C H 0.5113 0.4130 -0.1493 0.056 Uiso 0.605(5) 1 calc PR A 1
N2' N 0.6240(11) 0.3616(10) -0.0563(7) 0.019(3) Uiso 0.395(5) 1 d PD A 2
C5' C 0.5007(9) 0.2779(8) -0.0474(5) 0.0241(19) Uani 0.395(5) 1 d PD A 2
H5A H 0.4208 0.2407 -0.0989 0.029 Uiso 0.395(5) 1 calc PR A 2
C6' C 0.6463(12) 0.3949(11) -0.1462(6) 0.042(3) Uani 0.395(5) 1 d PD A 2
H6D H 0.7357 0.3482 -0.1781 0.063 Uiso 0.395(5) 1 calc PR A 2
H6E H 0.6656 0.4978 -0.1298 0.063 Uiso 0.395(5) 1 calc PR A 2
H6F H 0.5529 0.3613 -0.1913 0.063 Uiso 0.395(5) 1 calc PR A 2
C7' C 0.7459(10) 0.4168(10) 0.0257(7) 0.043(3) Uani 0.395(5) 1 d PD A 2
H7D H 0.7570 0.5206 0.0466 0.065 Uiso 0.395(5) 1 calc PR A 2
H7E H 0.8450 0.3796 0.0033 0.065 Uiso 0.395(5) 1 calc PR A 2
H7F H 0.7166 0.3868 0.0815 0.065 Uiso 0.395(5) 1 calc PR A 2
C8 C 0.2140(3) -0.0352(3) 0.1456(2) 0.0230(6) Uani 1 1 d . . .
H8 H 0.2751 -0.0150 0.2061 0.028 Uiso 1 1 calc R . .
C9 C -0.0260(4) -0.1420(4) 0.0487(3) 0.0392(9) Uani 1 1 d . . .
H9A H -0.1072 -0.0755 0.0598 0.059 Uiso 1 1 calc R . .
H9B H -0.0741 -0.2389 0.0325 0.059 Uiso 1 1 calc R . .
H9C H 0.0339 -0.1350 -0.0062 0.059 Uiso 1 1 calc R . .
C10 C 0.0155(5) -0.1370(4) 0.2218(2) 0.0410(9) Uani 1 1 d . . .
H10A H 0.0942 -0.1052 0.2776 0.062 Uiso 1 1 calc R . .
H10B H -0.0108 -0.2392 0.2046 0.062 Uiso 1 1 calc R . .
H10C H -0.0780 -0.0866 0.2403 0.062 Uiso 1 1 calc R . .
N1 N 0.3600(2) 0.8272(2) 0.48670(16) 0.0143(5) Uani 1 1 d . . .
H1A H 0.3780 0.8915 0.5486 0.021 Uiso 0.67 1 calc PR . .
H1B H 0.3300 0.8722 0.4439 0.021 Uiso 0.67 1 calc PR . .
H1C H 0.4485 0.7844 0.4673 0.021 Uiso 0.67 1 calc PR . .
N3 N 0.0762(3) -0.1075(3) 0.13725(17) 0.0226(5) Uani 1 1 d . . .
O13 O 0.5967(2) 0.0691(2) 0.16604(15) 0.0217(4) Uani 1 1 d D . .
H13A H 0.682(2) 0.105(3) 0.167(2) 0.026 Uiso 1 1 d D . .
H13B H 0.592(4) 0.041(3) 0.2140(18) 0.026 Uiso 1 1 d D . .
O16 O 0.5581(3) 0.9594(2) 0.31865(16) 0.0270(5) Uani 1 1 d D . .
H16A H 0.621(3) 0.903(3) 0.319(3) 0.032 Uiso 1 1 d D . .
H16B H 0.578(4) 1.018(3) 0.3709(17) 0.032 Uiso 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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'
O O 0.0106 0.0060 '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'
H H 0.0000 0.0000 '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
O3 Mo1 O2 106.19(9) . .
O3 Mo1 O1 100.44(8) . .
O2 Mo1 O1 100.37(8) . .
O3 Mo1 O5 97.50(8) . .
O2 Mo1 O5 101.98(8) . .
O1 Mo1 O5 146.03(7) . .
O3 Mo1 O4 162.59(7) . .
O2 Mo1 O4 90.17(7) . .
O1 Mo1 O4 81.97(7) . .
O5 Mo1 O4 72.74(7) . .
O3 Mo1 O12 94.84(7) . 2_566
O2 Mo1 O12 158.69(7) . 2_566
O1 Mo1 O12 71.82(6) . 2_566
O5 Mo1 O12 78.15(7) . 2_566
O4 Mo1 O12 69.35(6) . 2_566
O7 Mo2 O6 105.68(9) . .
O7 Mo2 O5 100.87(8) . .
O6 Mo2 O5 98.55(8) . .
O7 Mo2 O9 103.73(8) . .
O6 Mo2 O9 97.85(8) . .
O5 Mo2 O9 145.37(7) . .
O7 Mo2 O8 93.22(8) . 2_566
O6 Mo2 O8 160.35(8) . 2_566
O5 Mo2 O8 82.76(7) . 2_566
O9 Mo2 O8 71.94(7) . 2_566
O7 Mo2 O4 164.42(7) . .
O6 Mo2 O4 88.51(7) . .
O5 Mo2 O4 70.05(6) . .
O9 Mo2 O4 80.12(7) . .
O8 Mo2 O4 73.42(6) 2_566 .
O10 Mo3 O11 105.42(9) . .
O10 Mo3 O9 101.61(8) . 2_566
O11 Mo3 O9 98.54(8) . 2_566
O10 Mo3 O1 99.45(8) . .
O11 Mo3 O1 101.71(8) . .
O9 Mo3 O1 145.59(7) 2_566 .
O10 Mo3 O8 94.78(8) . .
O11 Mo3 O8 158.84(7) . .
O9 Mo3 O8 70.73(6) 2_566 .
O1 Mo3 O8 80.69(7) . .
O10 Mo3 O12 164.88(8) . 2_566
O11 Mo3 O12 88.37(7) . 2_566
O9 Mo3 O12 82.01(7) 2_566 2_566
O1 Mo3 O12 71.14(6) . 2_566
O8 Mo3 O12 72.37(6) . 2_566
O12 Mn1 O12 180.0 2_566 .
O12 Mn1 O4 87.03(7) 2_566 .
O12 Mn1 O4 92.97(7) . .
O12 Mn1 O4 92.97(7) 2_566 2_566
O12 Mn1 O4 87.03(7) . 2_566
O4 Mn1 O4 180.000(1) . 2_566
O12 Mn1 O8 86.68(7) 2_566 .
O12 Mn1 O8 93.32(7) . .
O4 Mn1 O8 92.17(7) . .
O4 Mn1 O8 87.83(7) 2_566 .
O12 Mn1 O8 93.32(7) 2_566 2_566
O12 Mn1 O8 86.68(7) . 2_566
O4 Mn1 O8 87.83(7) . 2_566
O4 Mn1 O8 92.17(7) 2_566 2_566
O8 Mn1 O8 180.000(1) . 2_566
O13 Na1 O13 180.00(11) 2_655 .
O13 Na1 O14 101.71(7) 2_655 .
O13 Na1 O14 78.29(7) . .
O13 Na1 O14 78.29(7) 2_655 2_655
O13 Na1 O14 101.71(7) . 2_655
O14 Na1 O14 180.00(10) . 2_655
O13 Na1 O15 95.85(7) 2_655 .
O13 Na1 O15 84.15(7) . .
O14 Na1 O15 88.61(7) . .
O14 Na1 O15 91.39(7) 2_655 .
O13 Na1 O15 84.15(7) 2_655 2_655
O13 Na1 O15 95.85(7) . 2_655
O14 Na1 O15 91.39(7) . 2_655
O14 Na1 O15 88.61(7) 2_655 2_655
O15 Na1 O15 180.0 . 2_655
O13 Na1 C5' 104.62(15) 2_655 2_655
O13 Na1 C5' 75.38(15) . 2_655
O14 Na1 C5' 78.99(15) . 2_655
O14 Na1 C5' 101.01(15) 2_655 2_655
O15 Na1 C5' 157.79(14) . 2_655
O15 Na1 C5' 22.21(14) 2_655 2_655
O13 Na1 Na2 48.90(6) 2_655 2_655
O13 Na1 Na2 131.10(6) . 2_655
O14 Na1 Na2 123.58(6) . 2_655
O14 Na1 Na2 56.42(6) 2_655 2_655
O15 Na1 Na2 133.24(5) . 2_655
O15 Na1 Na2 46.76(5) 2_655 2_655
C5' Na1 Na2 68.53(13) 2_655 2_655
O13 Na1 Na2 131.10(6) 2_655 .
O13 Na1 Na2 48.90(6) . .
O14 Na1 Na2 56.42(6) . .
O14 Na1 Na2 123.58(6) 2_655 .
O15 Na1 Na2 46.76(5) . .
O15 Na1 Na2 133.24(5) 2_655 .
C5' Na1 Na2 111.47(13) 2_655 .
Na2 Na1 Na2 180.00(5) 2_655 .
O15 Na2 O6 174.76(9) . .
O15 Na2 O13 85.92(8) . .
O6 Na2 O13 89.01(8) . .
O15 Na2 O2 103.35(8) . .
O6 Na2 O2 81.76(7) . .
O13 Na2 O2 150.68(8) . .
O15 Na2 O11 90.41(8) . 1_655
O6 Na2 O11 89.05(7) . 1_655
O13 Na2 O11 99.20(7) . 1_655
O2 Na2 O11 108.35(7) . 1_655
O15 Na2 O14 83.53(8) . .
O6 Na2 O14 96.16(7) . .
O13 Na2 O14 71.46(7) . .
O2 Na2 O14 81.90(7) . .
O11 Na2 O14 169.14(8) 1_655 .
O15 Na2 Na1 49.88(6) . .
O6 Na2 Na1 126.65(6) . .
O13 Na2 Na1 47.95(5) . .
O2 Na2 Na1 118.90(6) . .
O11 Na2 Na1 122.60(6) 1_655 .
O14 Na2 Na1 46.99(5) . .
Mo1 O1 Mo3 121.30(9) . .
Mo1 O2 Na2 138.96(10) . .
C2 O4 Mn1 117.03(14) . .
C2 O4 Mo1 120.30(14) . .
Mn1 O4 Mo1 102.50(7) . .
C2 O4 Mo2 122.61(14) . .
Mn1 O4 Mo2 99.54(7) . .
Mo1 O4 Mo2 89.62(6) . .
Mo2 O5 Mo1 121.09(9) . .
Mo2 O6 Na2 144.36(10) . .
C4 O8 Mn1 113.53(14) . .
C4 O8 Mo2 122.91(15) . 2_566
Mn1 O8 Mo2 99.15(7) . 2_566
C4 O8 Mo3 124.38(14) . .
Mn1 O8 Mo3 98.36(7) . .
Mo2 O8 Mo3 93.11(6) 2_566 .
Mo3 O9 Mo2 120.47(9) 2_566 .
Mo3 O11 Na2 166.14(10) . 1_455
C3 O12 Mn1 116.38(14) . .
C3 O12 Mo1 119.48(14) . 2_566
Mn1 O12 Mo1 101.12(7) . 2_566
C3 O12 Mo3 122.27(14) . 2_566
Mn1 O12 Mo3 102.58(7) . 2_566
Mo1 O12 Mo3 90.21(6) 2_566 2_566
C8 O14 Na1 139.2(2) . .
C8 O14 Na2 104.47(19) . .
Na1 O14 Na2 76.60(6) . .
C5' O15 C5 68.5(4) . .
C5' O15 Na2 161.4(4) . .
C5 O15 Na2 115.8(2) . .
C5' O15 Na1 110.2(4) . .
C5 O15 Na1 122.0(2) . .
Na2 O15 Na1 83.36(7) . .
N1 C1 C4 106.7(2) . .
N1 C1 C3 104.65(19) . .
C4 C1 C3 113.0(2) . .
N1 C1 C2 108.2(2) . .
C4 C1 C2 112.8(2) . .
C3 C1 C2 111.0(2) . .
O4 C2 C1 113.6(2) . .
O12 C3 C1 114.74(19) . .
O8 C4 C1 113.8(2) . .
C5 N2 C6 122.0(6) . .
C5 N2 C7 120.7(6) . .
C6 N2 C7 117.2(5) . .
O15 C5 N2 122.7(5) . .
C5' N2' C6' 122.4(9) . .
C5' N2' C7' 119.8(8) . .
C6' N2' C7' 117.8(8) . .
O15 C5' N2' 116.7(7) . .
O14 C8 N3 125.9(3) . .
C8 N3 C9 121.3(3) . .
C8 N3 C10 120.6(3) . .
C9 N3 C10 117.5(3) . .
Na1 O13 Na2 83.15(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O3 1.7091(18) .
Mo1 O2 1.7096(18) .
Mo1 O1 1.9164(17) .
Mo1 O5 1.9178(17) .
Mo1 O4 2.3079(17) .
Mo1 O12 2.3504(17) 2_566
Mo2 O7 1.6973(18) .
Mo2 O6 1.7136(18) .
Mo2 O5 1.9141(17) .
Mo2 O9 1.9264(17) .
Mo2 O8 2.2668(17) 2_566
Mo2 O4 2.4251(17) .
Mo3 O10 1.7006(18) .
Mo3 O11 1.7154(18) .
Mo3 O9 1.9158(17) 2_566
Mo3 O1 1.9239(17) .
Mo3 O8 2.3267(17) .
Mo3 O12 2.3745(17) 2_566
Mn1 O12 1.9227(17) 2_566
Mn1 O12 1.9227(17) .
Mn1 O4 1.9267(17) .
Mn1 O4 1.9267(17) 2_566
Mn1 O8 2.1163(17) .
Mn1 O8 2.1163(17) 2_566
Na1 O13 2.348(2) 2_655
Na1 O13 2.348(2) .
Na1 O14 2.3601(19) .
Na1 O14 2.3601(19) 2_655
Na1 O15 2.417(2) .
Na1 O15 2.417(2) 2_655
Na1 C5' 3.073(7) 2_655
Na1 Na2 3.1399(11) 2_655
Na1 Na2 3.1399(11) .
Na2 O15 2.303(2) .
Na2 O6 2.330(2) .
Na2 O13 2.383(2) .
Na2 O2 2.399(2) .
Na2 O11 2.477(2) 1_655
Na2 O14 2.689(2) .
O4 C2 1.450(3) .
O8 C4 1.444(3) .
O8 Mo2 2.2668(17) 2_566
O9 Mo3 1.9158(17) 2_566
O11 Na2 2.477(2) 1_455
O12 C3 1.441(3) .
O12 Mo1 2.3504(17) 2_566
O12 Mo3 2.3745(17) 2_566
O14 C8 1.221(3) .
O15 C5' 1.238(7) .
O15 C5 1.313(5) .
C1 N1 1.474(3) .
C1 C4 1.536(4) .
C1 C3 1.537(3) .
C1 C2 1.538(4) .
N2 C5 1.322(7) .
N2 C6 1.447(8) .
N2 C7 1.478(8) .
N2' C5' 1.351(10) .
N2' C6' 1.451(10) .
N2' C7' 1.479(11) .
C8 N3 1.333(4) .
C9 N3 1.444(4) .
C10 N3 1.451(4) .
