#------------------------------------------------------------------------------
#$Date: 2021-11-06 22:31:12 +0200 (Sat, 06 Nov 2021) $
#$Revision: 270480 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/10/7061010.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_7061010
loop_
_publ_author_name
'Kuzman, Dino'
'Damjanovi\'c, Vladimir'
'Stilinovi\'c, Vladimir'
'Cindri\'c, Marina'
'Vrdoljak, Vi\<snja'
_publ_section_title
;
 The role of mono- and dicarboxylic acids in the building of oxomolybdates
 containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18},
 {Mo8O26}, and {SiMo12O40} units
;
_journal_issue                   42
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              19764
_journal_page_last               19774
_journal_paper_doi               10.1039/D1NJ03280A
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'C4 H16 Co Mo N4 Na O13'
_chemical_formula_weight         506.07
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-09-14 deposited with the CCDC.	2021-09-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.603(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.0975(2)
_cell_length_b                   11.9126(3)
_cell_length_c                   15.0744(4)
_cell_measurement_reflns_used    6704
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      36.5134
_cell_measurement_theta_min      4.0751
_cell_volume                     1429.28(6)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector_area_resol_mean 16.3426
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur Kappa CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0210
_diffrn_reflns_av_unetI/netI     0.0283
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9164
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         4.088
_exptl_absorpt_coefficient_mu    2.150
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.352
_exptl_crystal_description       block
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.387
_refine_diff_density_min         -0.597
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         3110
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0220
_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/[\s^2^(Fo^2^)+(0.0410P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0680
_refine_ls_wR_factor_ref         0.0691
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2543
_reflns_number_total             3110
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1nj03280a2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7061007--7061013.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7061010
_shelx_shelxl_version_number     2014/7
_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_res_file
;

    shelx.res created by SHELXL-2014/7

TITL opti in P2(1)/c
CELL  0.71073   8.0975  11.9126  15.0744   90.000  100.603   90.000
ZERR     4.00   0.0002   0.0003   0.0004    0.000    0.002    0.000
LATT   1
SYMM  - X, 1/2 + Y, 1/2 - Z
SFAC  C    H    O    N    MO   NA   CO
UNIT 16 64 52 16 4 4 4
MERG   2
OMIT    -4.00  54.00
dfix 0.82 0.02  o12 H1w o12 H2w  o13 H3w o13 h4w
FMAP   2
PLAN   20
ACTA
BOND
L.S.  24
WGHT    0.041000
FVAR       4.13168
NA1   6    0.458697    0.916272    0.397969    11.00000    0.02028    0.04134 =
         0.03377    0.00952    0.00404   -0.00123
O4    3    0.188429    0.939329    0.433001    11.00000    0.02404    0.02950 =
         0.02021    0.00950    0.00624    0.00636
O12   3    0.747632    0.906356    0.389964    11.00000    0.02791    0.02804 =
         0.03389   -0.00443   -0.00398    0.00015
O13   3    0.574337    0.804762    0.239154    11.00000    0.04531    0.02510 =
         0.04117    0.00441   -0.01789   -0.00630
MO1   5    0.404081    0.578258    0.421991    11.00000    0.01507    0.01645 =
         0.01627    0.00057    0.00372    0.00233
CO1   7    0.046542    0.776285    0.629222    11.00000    0.01263    0.01453 =
         0.01422    0.00023    0.00244    0.00053
O10   3    0.114154    1.149072    0.137313    11.00000    0.02189    0.04866 =
         0.03043    0.00607    0.00884    0.00913
O6    3    0.567902    0.425309    0.456947    11.00000    0.02385    0.01968 =
         0.01964   -0.00055    0.00719    0.00497
O2    3    0.285096    0.794855    0.637457    11.00000    0.01512    0.02102 =
         0.01858    0.00562    0.00129    0.00122
O9    3    0.335440    1.144707    0.068254    11.00000    0.02339    0.02580 =
         0.01725    0.00482    0.00722    0.00591
O1    3    0.027910    0.856612    0.518537    11.00000    0.01459    0.02346 =
         0.01539    0.00291    0.00061    0.00183
N4    4    0.041074    0.916534    0.694489    11.00000    0.02328    0.02053 =
         0.01831    0.00071    0.00505    0.00126
AFIX 137
H4A   2    0.145548    0.937820    0.717462    11.00000   -1.50000
H4B   2   -0.016165    0.906837    0.738969    11.00000   -1.50000
H4C   2   -0.008667    0.969169    0.656924    11.00000   -1.50000
AFIX   0
O3    3    0.535203    1.120925    0.437534    11.00000    0.01402    0.02944 =
         0.03104    0.00388    0.00472   -0.00268
O8    3    0.517897    1.039709    0.202575    11.00000    0.01789    0.02810 =
         0.01488    0.00269    0.00258    0.00127
N1    4    0.054869    0.635784    0.561890    11.00000    0.02096    0.01970 =
         0.02295   -0.00276    0.00641   -0.00032
AFIX 137
H1A   2    0.020163    0.648517    0.503244    11.00000   -1.50000
H1B   2   -0.011661    0.585059    0.580711    11.00000   -1.50000
H1C   2    0.159876    0.610141    0.571219    11.00000   -1.50000
AFIX   0
C1    1    0.322643    0.852224    0.571289    11.00000    0.01747    0.01632 =
         0.01819   -0.00158    0.00173    0.00126
O11   3    0.296990    1.008818    0.267311    11.00000    0.02827    0.03778 =
         0.02319    0.00940    0.01064   -0.00023
N2    4   -0.196300    0.766687    0.608613    11.00000    0.01678    0.03123 =
         0.02579   -0.00341    0.00311    0.00109
AFIX 137
H2A   2   -0.239757    0.835524    0.604093    11.00000   -1.50000
H2B   2   -0.228029    0.730973    0.654554    11.00000   -1.50000
H2C   2   -0.232699    0.729154    0.557721    11.00000   -1.50000
AFIX   0
O7    3    0.230619    0.495741    0.384630    11.00000    0.01678    0.03274 =
         0.02776    0.00098    0.00130   -0.00295
C4    1    0.363184    1.050523    0.208725    11.00000    0.02313    0.01790 =
         0.01601   -0.00379    0.00339   -0.00206
C2    1    0.169508    0.886688    0.499757    11.00000    0.01767    0.01552 =
         0.01741   -0.00260    0.00424    0.00237
O5    3    0.334880    0.712599    0.391874    11.00000    0.03671    0.02413 =
         0.02750    0.00314    0.00313    0.00920
N3    4    0.074628    0.697024    0.743576    11.00000    0.03065    0.02288 =
         0.02318    0.00467    0.00884    0.00400
AFIX 137
H3A   2    0.101235    0.625750    0.735440    11.00000   -1.50000
H3B   2   -0.020849    0.699803    0.764792    11.00000   -1.50000
H3C   2    0.156371    0.729191    0.782910    11.00000   -1.50000
AFIX   0
C3    1    0.258667    1.121362    0.132565    11.00000    0.02122    0.01776 =
         0.02126   -0.00329    0.00430   -0.00090
H3W   2    0.559018    0.868481    0.217153    11.00000    0.03691
H4W   2    0.496891    0.762179    0.220469    11.00000    0.05296
H2W   2    0.718271    0.863626    0.346958    11.00000    0.06756
H1W   2    0.825802    0.894426    0.436674    11.00000    0.10389
HKLF    4

REM  opti in P2(1)/c
REM R1 =  0.0220 for    2543 Fo > 4sig(Fo)  and  0.0304 for all    3110 data
REM    237 parameters refined using      4 restraints

END

WGHT      0.0410      0.0000

REM Highest difference peak  0.387,  deepest hole -0.597,  1-sigma level  0.126
Q1    1   0.1733  0.4836  0.3611  11.00000  0.05    0.39
Q2    1   0.3032  0.7644  0.3412  11.00000  0.05    0.34
Q3    1  -0.2957  0.7592  0.4990  11.00000  0.05    0.34
Q4    1   0.2284  0.8822  0.5240  11.00000  0.05    0.33
Q5    1   0.0806  0.8831  0.5268  11.00000  0.05    0.33
Q6    1   0.2998  0.6582  0.3473  11.00000  0.05    0.32
Q7    1   0.2796  0.5192  0.3514  11.00000  0.05    0.32
Q8    1   0.3561  0.8766  0.6965  11.00000  0.05    0.31
Q9    1   0.2792  0.5166  0.4763  11.00000  0.05    0.31
Q10   1   0.6544  0.4054  0.4945  11.00000  0.05    0.31
Q11   1  -0.2897  0.7816  0.5292  11.00000  0.05    0.30
Q12   1   0.0662  0.9924  0.5120  11.00000  0.05    0.29
Q13   1   0.5617  0.8664  0.1621  11.00000  0.05    0.29
Q14   1   0.4614  1.1032  0.3588  11.00000  0.05    0.29
Q15   1  -0.3012  0.8869  0.5187  11.00000  0.05    0.29
Q16   1   0.3172  0.6123  0.6594  11.00000  0.05    0.29
Q17   1   0.8243  0.9534  0.5050  11.00000  0.05    0.28
Q18   1  -0.0436  0.5045  0.5305  11.00000  0.05    0.28
Q19   1   0.1970  0.4474  0.4394  11.00000  0.05    0.28
Q20   1   0.3996  1.0801  0.3130  11.00000  0.05    0.28
;
_shelx_res_checksum              54549
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_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
Na1 Na 0.45870(16) 0.91627(12) 0.39797(10) 0.0319(3) Uani 1 1 d . . . . .
O4 O 0.1884(3) 0.93933(19) 0.43300(14) 0.0243(5) Uani 1 1 d . . . . .
O12 O 0.7476(3) 0.9064(2) 0.38996(19) 0.0312(6) Uani 1 1 d D . . . .
O13 O 0.5743(4) 0.8048(2) 0.23915(19) 0.0405(7) Uani 1 1 d D . . . .
Mo1 Mo 0.40408(3) 0.57826(2) 0.42199(2) 0.01583(8) Uani 1 1 d . . . . .
Co1 Co 0.04654(4) 0.77629(3) 0.62922(3) 0.01380(10) Uani 1 1 d . . . . .
O10 O 0.1142(3) 1.1491(2) 0.13731(16) 0.0331(6) Uani 1 1 d . . . . .
O6 O 0.5679(3) 0.42531(17) 0.45695(14) 0.0207(5) Uani 1 1 d . . . . .
O2 O 0.2851(2) 0.79485(18) 0.63746(13) 0.0185(4) Uani 1 1 d . . . . .
O9 O 0.3354(3) 1.14471(19) 0.06825(14) 0.0217(5) Uani 1 1 d . . . . .
O1 O 0.0279(2) 0.85661(18) 0.51854(13) 0.0181(4) Uani 1 1 d . . . . .
N4 N 0.0411(3) 0.9165(2) 0.69449(17) 0.0206(5) Uani 1 1 d . . . . .
H4A H 0.1455 0.9378 0.7175 0.031 Uiso 1 1 calc R U . . .
H4B H -0.0162 0.9068 0.7390 0.031 Uiso 1 1 calc R U . . .
H4C H -0.0087 0.9692 0.6569 0.031 Uiso 1 1 calc R U . . .
O3 O 0.5352(2) 1.1209(2) 0.43753(15) 0.0248(5) Uani 1 1 d . . . . .
O8 O 0.5179(2) 1.03971(19) 0.20257(13) 0.0203(5) Uani 1 1 d . . . . .
N1 N 0.0549(3) 0.6358(2) 0.56189(17) 0.0209(5) Uani 1 1 d . . . . .
H1A H 0.0202 0.6485 0.5032 0.031 Uiso 1 1 calc R U . . .
H1B H -0.0117 0.5851 0.5807 0.031 Uiso 1 1 calc R U . . .
H1C H 0.1599 0.6101 0.5712 0.031 Uiso 1 1 calc R U . . .
C1 C 0.3226(3) 0.8522(2) 0.57129(19) 0.0175(6) Uani 1 1 d . . . . .
O11 O 0.2970(3) 1.0088(2) 0.26731(15) 0.0290(5) Uani 1 1 d . . . . .
N2 N -0.1963(3) 0.7667(2) 0.60861(18) 0.0247(6) Uani 1 1 d . . . . .
H2A H -0.2398 0.8355 0.6041 0.037 Uiso 1 1 calc R U . . .
H2B H -0.2280 0.7310 0.6546 0.037 Uiso 1 1 calc R U . . .
H2C H -0.2327 0.7292 0.5577 0.037 Uiso 1 1 calc R U . . .
O7 O 0.2306(2) 0.4957(2) 0.38463(15) 0.0261(5) Uani 1 1 d . . . . .
C4 C 0.3632(4) 1.0505(3) 0.2087(2) 0.0190(6) Uani 1 1 d . . . . .
C2 C 0.1695(3) 0.8867(3) 0.4998(2) 0.0167(6) Uani 1 1 d . . . . .
O5 O 0.3349(3) 0.71260(19) 0.39187(15) 0.0298(5) Uani 1 1 d . . . . .
N3 N 0.0746(3) 0.6970(2) 0.74358(17) 0.0251(6) Uani 1 1 d . . . . .
H3A H 0.1012 0.6257 0.7354 0.038 Uiso 1 1 calc R U . . .
H3B H -0.0208 0.6998 0.7648 0.038 Uiso 1 1 calc R U . . .
H3C H 0.1564 0.7292 0.7829 0.038 Uiso 1 1 calc R U . . .
C3 C 0.2587(4) 1.1214(3) 0.1326(2) 0.0200(6) Uani 1 1 d . . . . .
H3W H 0.559(5) 0.868(2) 0.217(3) 0.037(11) Uiso 1 1 d D . . . .
H4W H 0.497(4) 0.762(3) 0.220(3) 0.053(14) Uiso 1 1 d D . . . .
H2W H 0.718(6) 0.864(3) 0.347(2) 0.068(17) Uiso 1 1 d D . . . .
H1W H 0.826(6) 0.894(5) 0.437(3) 0.10(2) Uiso 1 1 d D . . . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Na1 0.0203(6) 0.0413(9) 0.0338(7) 0.0095(6) 0.0040(5) -0.0012(6)
O4 0.0240(11) 0.0295(13) 0.0202(11) 0.0095(10) 0.0062(9) 0.0064(10)
O12 0.0279(12) 0.0280(14) 0.0339(15) -0.0044(12) -0.0040(11) 0.0002(11)
O13 0.0453(16) 0.0251(14) 0.0412(16) 0.0044(13) -0.0179(13) -0.0063(13)
Mo1 0.01507(13) 0.01645(14) 0.01627(14) 0.00057(10) 0.00372(9) 0.00233(10)
Co1 0.01263(18) 0.0145(2) 0.0142(2) 0.00023(16) 0.00244(14) 0.00053(15)
O10 0.0219(11) 0.0487(16) 0.0304(13) 0.0061(12) 0.0088(10) 0.0091(11)
O6 0.0238(11) 0.0197(11) 0.0196(11) -0.0006(9) 0.0072(9) 0.0050(9)
O2 0.0151(10) 0.0210(11) 0.0186(11) 0.0056(9) 0.0013(8) 0.0012(8)
O9 0.0234(11) 0.0258(12) 0.0172(11) 0.0048(9) 0.0072(9) 0.0059(9)
O1 0.0146(9) 0.0235(11) 0.0154(10) 0.0029(9) 0.0006(8) 0.0018(9)
N4 0.0233(13) 0.0205(14) 0.0183(13) 0.0007(11) 0.0050(10) 0.0013(11)
O3 0.0140(10) 0.0294(12) 0.0310(12) 0.0039(10) 0.0047(9) -0.0027(9)
O8 0.0179(10) 0.0281(12) 0.0149(10) 0.0027(9) 0.0026(8) 0.0013(9)
N1 0.0210(12) 0.0197(13) 0.0230(14) -0.0028(11) 0.0064(10) -0.0003(11)
C1 0.0175(14) 0.0163(14) 0.0182(15) -0.0016(12) 0.0017(11) 0.0013(12)
O11 0.0283(12) 0.0378(14) 0.0232(12) 0.0094(11) 0.0106(10) -0.0002(11)
N2 0.0168(12) 0.0312(15) 0.0258(15) -0.0034(12) 0.0031(11) 0.0011(11)
O7 0.0168(10) 0.0327(13) 0.0278(12) 0.0010(10) 0.0013(9) -0.0030(10)
C4 0.0231(15) 0.0179(15) 0.0160(15) -0.0038(12) 0.0034(12) -0.0021(12)
C2 0.0177(13) 0.0155(13) 0.0174(14) -0.0026(12) 0.0042(11) 0.0024(12)
O5 0.0367(13) 0.0241(12) 0.0275(13) 0.0031(10) 0.0031(10) 0.0092(11)
N3 0.0307(14) 0.0229(14) 0.0232(14) 0.0047(12) 0.0088(11) 0.0040(12)
C3 0.0212(15) 0.0178(15) 0.0213(16) -0.0033(13) 0.0043(12) -0.0009(12)
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'
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'
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'
Co Co 0.3494 0.9721 '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
O4 Na1 O12 169.40(11) . . ?
O4 Na1 O11 75.17(8) . . ?
O12 Na1 O11 111.89(10) . . ?
O4 Na1 O3 69.51(8) . 3_676 ?
O12 Na1 O3 101.62(9) . 3_676 ?
O11 Na1 O3 142.50(9) . 3_676 ?
O4 Na1 O3 91.81(9) . . ?
O12 Na1 O3 81.97(9) . . ?
O11 Na1 O3 80.05(9) . . ?
O3 Na1 O3 88.74(9) 3_676 . ?
O4 Na1 O5 75.58(8) . . ?
O12 Na1 O5 109.11(9) . . ?
O11 Na1 O5 104.30(9) . . ?
O3 Na1 O5 78.99(8) 3_676 . ?
O3 Na1 O5 164.81(9) . . ?
C2 O4 Na1 112.79(18) . . ?
O7 Mo1 O5 103.72(11) . . ?
O7 Mo1 O6 105.16(10) . 3_666 ?
O5 Mo1 O6 105.24(10) . 3_666 ?
O7 Mo1 O8 86.86(9) . 2_645 ?
O5 Mo1 O8 95.86(10) . 2_645 ?
O6 Mo1 O8 152.12(9) 3_666 2_645 ?
O7 Mo1 O9 158.12(9) . 2_645 ?
O5 Mo1 O9 86.89(10) . 2_645 ?
O6 Mo1 O9 90.02(8) 3_666 2_645 ?
O8 Mo1 O9 72.89(8) 2_645 2_645 ?
O7 Mo1 O6 91.41(9) . . ?
O5 Mo1 O6 163.02(10) . . ?
O6 Mo1 O6 77.59(9) 3_666 . ?
O8 Mo1 O6 77.05(8) 2_645 . ?
O9 Mo1 O6 76.31(8) 2_645 . ?
O7 Mo1 Mo1 99.53(8) . 3_666 ?
O5 Mo1 Mo1 146.02(8) . 3_666 ?
O6 Mo1 Mo1 44.01(6) 3_666 3_666 ?
O8 Mo1 Mo1 109.95(6) 2_645 3_666 ?
O9 Mo1 Mo1 80.32(6) 2_645 3_666 ?
O6 Mo1 Mo1 33.58(5) . 3_666 ?
O1 Co1 O2 85.16(8) . . ?
O1 Co1 N2 88.55(10) . . ?
O2 Co1 N2 173.71(10) . . ?
O1 Co1 N3 177.66(11) . . ?
O2 Co1 N3 92.66(10) . . ?
N2 Co1 N3 93.63(12) . . ?
O1 Co1 N4 90.35(10) . . ?
O2 Co1 N4 89.12(10) . . ?
N2 Co1 N4 90.85(11) . . ?
N3 Co1 N4 88.77(11) . . ?
O1 Co1 N1 88.86(10) . . ?
O2 Co1 N1 90.10(10) . . ?
N2 Co1 N1 89.84(11) . . ?
N3 Co1 N1 92.00(12) . . ?
N4 Co1 N1 178.94(11) . . ?
Mo1 O6 Mo1 102.41(9) 3_666 . ?
C1 O2 Co1 112.78(17) . . ?
C3 O9 Mo1 117.36(19) . 2_655 ?
C2 O1 Co1 113.82(18) . . ?
C1 O3 Na1 107.77(18) 3_676 3_676 ?
C1 O3 Na1 114.5(2) 3_676 . ?
Na1 O3 Na1 91.26(9) 3_676 . ?
C4 O8 Mo1 119.56(18) . 2_655 ?
O3 C1 O2 125.6(3) 3_676 . ?
O3 C1 C2 120.4(3) 3_676 . ?
O2 C1 C2 114.1(2) . . ?
O3 C1 Na1 50.21(15) 3_676 . ?
O2 C1 Na1 161.6(2) . . ?
C2 C1 Na1 73.20(15) . . ?
C4 O11 Na1 122.0(2) . . ?
O11 C4 O8 125.3(3) . . ?
O11 C4 C3 120.4(3) . . ?
O8 C4 C3 114.3(2) . . ?
O4 C2 O1 125.4(3) . . ?
O4 C2 C1 120.5(3) . . ?
O1 C2 C1 114.1(2) . . ?
O4 C2 Na1 45.56(14) . . ?
O1 C2 Na1 160.9(2) . . ?
C1 C2 Na1 77.83(15) . . ?
Mo1 O5 Na1 138.13(12) . . ?
O10 C3 O9 126.0(3) . . ?
O10 C3 C4 120.0(3) . . ?
O9 C3 C4 114.0(2) . . ?
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
Na1 O4 2.360(2) . ?
Na1 O12 2.368(3) . ?
Na1 O11 2.421(3) . ?
Na1 O3 2.511(3) 3_676 ?
Na1 O3 2.559(3) . ?
Na1 O5 2.620(3) . ?
O4 C2 1.219(4) . ?
Mo1 O7 1.722(2) . ?
Mo1 O5 1.728(2) . ?
Mo1 O6 1.798(2) 3_666 ?
Mo1 O8 2.138(2) 2_645 ?
Mo1 O9 2.232(2) 2_645 ?
Mo1 O6 2.258(2) . ?
Co1 O1 1.905(2) . ?
Co1 O2 1.925(2) . ?
Co1 N2 1.937(2) . ?
Co1 N3 1.942(3) . ?
Co1 N4 1.944(2) . ?
Co1 N1 1.965(3) . ?
O10 C3 1.231(4) . ?
O6 Mo1 1.798(2) 3_666 ?
O2 C1 1.291(3) . ?
O9 C3 1.275(4) . ?
O9 Mo1 2.232(2) 2_655 ?
O1 C2 1.282(3) . ?
O3 C1 1.225(3) 3_676 ?
O3 Na1 2.511(3) 3_676 ?
O8 C4 1.280(3) . ?
O8 Mo1 2.138(2) 2_655 ?
C1 O3 1.225(3) 3_676 ?
C1 C2 1.542(4) . ?
O11 C4 1.220(4) . ?
C4 C3 1.546(4) . ?