#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:28:16 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180395 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/64/7206409.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_7206409
loop_
_publ_author_name
'An, Haiyan'
'Liu, Xuan'
'Chen, Hao'
'Han, Zhengbo'
'Zhang, Hua'
'Chen, Zhaofei'
_publ_section_title
;
 Assembling Anderson-type polyoxometalates with manganese(ii) in the
 presence of pyridylacrylic acid ligands: a 2D layer and two polymorphs
;
_journal_issue                   17
_journal_name_full               CrystEngComm
_journal_page_first              5384
_journal_paper_doi               10.1039/c1ce05391d
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C48 H98 Cr2 Mn3 Mo12 N6 O82'
_chemical_formula_weight         3491.42
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 96.754(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.2656(7)
_cell_length_b                   15.8195(9)
_cell_length_c                   32.146(2)
_cell_measurement_reflns_used    29788
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.81
_cell_volume                     5184.2(6)
_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_detector_area_resol_mean 0.01
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       ω-2θ
_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  0.0275
_diffrn_reflns_av_sigmaI/netI    0.0294
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            29788
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.81
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.068
_exptl_absorpt_correction_T_max  0.865
_exptl_absorpt_correction_T_min  0.742
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'ABSCOR by T.Higashi 8 March, 1995'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.237
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3422
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.510
_refine_diff_density_min         -0.651
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     700
_refine_ls_number_reflns         9048
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0319
_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)+(0.0427P)²+16.1882P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0879
_refine_ls_wR_factor_ref         0.0926
_reflns_number_gt                7725
_reflns_number_total             9048
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05391d.txt
_cod_data_source_block           mn2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_cell_volume        5184.1(6)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7206409
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mo1 Mo 0.10333(4) 0.16240(2) 0.082757(13) 0.02010(10) Uani 1 1 d .
Mo2 Mo 0.30092(4) 0.26089(3) 0.023605(13) 0.02532(11) Uani 1 1 d .
Mo3 Mo 0.56481(4) 0.35935(3) 0.068916(13) 0.02131(11) Uani 1 1 d .
Mo4 Mo 0.61786(4) 0.37682(3) 0.172498(12) 0.02025(10) Uani 1 1 d .
Mo5 Mo 0.40564(4) 0.29193(2) 0.231264(12) 0.01979(10) Uani 1 1 d .
Mo6 Mo 0.15645(4) 0.17410(3) 0.186699(13) 0.02169(11) Uani 1 1 d .
Mn1 Mn 0.32435(8) 0.52552(5) 0.28429(2) 0.03139(19) Uani 1 1 d .
Mn2 Mn 0.0000 0.0000 0.0000 0.0276(2) Uani 1 2 d S
Cr1 Cr 0.35932(6) 0.26932(4) 0.12777(2) 0.01496(16) Uani 1 1 d .
O1 O 0.3216(3) 0.18117(18) 0.08483(9) 0.0182(7) Uani 1 1 d .
O2 O 0.3483(3) 0.34753(19) 0.07997(9) 0.0197(7) Uani 1 1 d .
O3 O 0.5495(3) 0.27465(19) 0.12504(9) 0.0191(7) Uani 1 1 d .
O4 O 0.3937(3) 0.36065(18) 0.17014(9) 0.0177(6) Uani 1 1 d .
O5 O 0.3712(3) 0.19287(19) 0.17686(9) 0.0190(7) Uani 1 1 d .
O6 O 0.1683(3) 0.26329(18) 0.13129(9) 0.0183(7) Uani 1 1 d .
O7 O 0.1304(3) 0.2501(2) 0.04336(10) 0.0257(7) Uani 1 1 d .
O8 O 0.4895(3) 0.2684(2) 0.03519(10) 0.0266(8) Uani 1 1 d .
O9 O 0.5728(3) 0.43139(19) 0.11948(10) 0.0226(7) Uani 1 1 d .
O10 O 0.5803(3) 0.2934(2) 0.21341(10) 0.0230(7) Uani 1 1 d .
O11 O 0.2214(3) 0.2739(2) 0.21864(10) 0.0241(7) Uani 1 1 d .
O12 O 0.1504(3) 0.10590(19) 0.13629(10) 0.0230(7) Uani 1 1 d .
O13 O -0.0548(3) 0.1868(2) 0.08657(12) 0.0343(9) Uani 1 1 d .
O14 O 0.1000(3) 0.0734(2) 0.05156(10) 0.0301(8) Uani 1 1 d .
O15 O 0.2654(4) 0.3451(3) -0.00846(12) 0.0430(10) Uani 1 1 d .
O16 O 0.2980(4) 0.1756(3) -0.00876(12) 0.0459(11) Uani 1 1 d .
O17 O 0.5369(4) 0.4439(2) 0.03602(11) 0.0352(9) Uani 1 1 d .
O18 O 0.7265(3) 0.3349(2) 0.06900(12) 0.0349(9) Uani 1 1 d .
O19 O 0.6221(4) 0.4665(2) 0.20251(12) 0.0347(9) Uani 1 1 d .
O20 O 0.7783(3) 0.3512(2) 0.17047(12) 0.0339(9) Uani 1 1 d .
O21 O 0.4421(4) 0.2138(2) 0.26747(11) 0.0331(8) Uani 1 1 d .
O22 O 0.4044(3) 0.3835(2) 0.25983(10) 0.0292(8) Uani 1 1 d .
O23 O -0.0056(3) 0.1945(2) 0.18873(12) 0.0369(9) Uani 1 1 d .
O24 O 0.1949(4) 0.0939(2) 0.22111(11) 0.0367(9) Uani 1 1 d .
O25 O 0.4862(4) 0.5454(2) 0.33346(11) 0.0339(9) Uani 1 1 d .
O26 O 0.5680(4) 0.5360(2) 0.40068(12) 0.0444(10) Uani 1 1 d .
O27 O 0.2102(4) 0.4574(3) 0.32047(12) 0.0434(10) Uani 1 1 d .
O28 O 0.1917(5) 0.4950(2) 0.38601(14) 0.0550(12) Uani 1 1 d .
O29 O 0.2447(4) -0.5039(2) 0.08830(12) 0.0480(11) Uani 1 1 d .
O30 O 0.2445(4) -0.5062(2) 0.15715(12) 0.0407(10) Uani 1 1 d .
C1 C 0.5192(5) 0.5046(3) 0.36725(16) 0.0270(11) Uani 1 1 d .
C2 C 0.4989(5) 0.4106(3) 0.36545(16) 0.0274(11) Uani 1 1 d .
H2A H 0.4720 0.3859 0.3396 0.033 Uiso 1 1 calc R
C3 C 0.5175(5) 0.3611(3) 0.39901(16) 0.0286(11) Uani 1 1 d .
H3A H 0.5423 0.3870 0.4247 0.034 Uiso 1 1 calc R
C4 C 0.5021(5) 0.2692(3) 0.39873(15) 0.0241(10) Uani 1 1 d .
C5 C 0.4725(5) 0.2243(3) 0.36140(16) 0.0306(12) Uani 1 1 d .
H5A H 0.4626 0.2524 0.3358 0.037 Uiso 1 1 calc R
C6 C 0.4583(5) 0.1380(3) 0.36300(18) 0.0350(13) Uani 1 1 d .
H6A H 0.4395 0.1075 0.3383 0.042 Uiso 1 1 calc R
C7 C 0.4990(6) 0.1376(3) 0.43571(18) 0.0366(13) Uani 1 1 d .
H7A H 0.5067 0.1074 0.4607 0.044 Uiso 1 1 calc R
C8 C 0.5163(5) 0.2241(3) 0.43604(17) 0.0333(12) Uani 1 1 d .
H8A H 0.5376 0.2523 0.4613 0.040 Uiso 1 1 calc R
C9 C 0.1905(5) 0.4423(3) 0.35729(18) 0.0338(12) Uani 1 1 d .
C10 C 0.1681(5) 0.3517(3) 0.36813(18) 0.0345(13) Uani 1 1 d .
H10A H 0.1602 0.3386 0.3959 0.041 Uiso 1 1 calc R
C11 C 0.1589(5) 0.2899(3) 0.34073(18) 0.0350(13) Uani 1 1 d .
H11A H 0.1651 0.3042 0.3130 0.042 Uiso 1 1 calc R
C12 C 0.1397(5) 0.2008(3) 0.34986(18) 0.0336(12) Uani 1 1 d .
C13 C 0.1248(6) 0.1438(4) 0.3169(2) 0.0483(16) Uani 1 1 d .
H13A H 0.1278 0.1626 0.2896 0.058 Uiso 1 1 calc R
C14 C 0.1057(6) 0.0599(4) 0.3245(3) 0.0571(19) Uani 1 1 d .
H14A H 0.0954 0.0218 0.3023 0.069 Uiso 1 1 calc R
C15 C 0.1184(6) 0.0852(4) 0.3958(2) 0.0508(16) Uani 1 1 d .
H15A H 0.1153 0.0642 0.4227 0.061 Uiso 1 1 calc R
C16 C 0.1397(6) 0.1692(4) 0.3900(2) 0.0416(14) Uani 1 1 d .
H16A H 0.1543 0.2052 0.4130 0.050 Uiso 1 1 calc R
C17 C 0.2316(5) -0.4692(3) 0.12271(17) 0.0278(11) Uani 1 1 d .
C18 C 0.2031(5) -0.3763(3) 0.12094(17) 0.0297(12) Uani 1 1 d .
H18A H 0.1759 -0.3524 0.0949 0.036 Uiso 1 1 calc R
C19 C 0.2141(5) -0.3265(3) 0.15386(18) 0.0323(12) Uani 1 1 d .
H19A H 0.2340 -0.3518 0.1800 0.039 Uiso 1 1 calc R
C20 C 0.1977(5) -0.2342(3) 0.15280(17) 0.0295(11) Uani 1 1 d .
C21 C 0.2192(7) -0.1870(4) 0.18952(19) 0.0448(15) Uani 1 1 d .
H21A H 0.2409 -0.2147 0.2149 0.054 Uiso 1 1 calc R
C22 C 0.2091(7) -0.1011(4) 0.1890(2) 0.0507(17) Uani 1 1 d .
H22A H 0.2242 -0.0704 0.2138 0.061 Uiso 1 1 calc R
C23 C 0.1558(5) -0.1028(3) 0.11650(18) 0.0348(13) Uani 1 1 d .
H23A H 0.1351 -0.0730 0.0917 0.042 Uiso 1 1 calc R
C24 C 0.1643(5) -0.1899(3) 0.11566(18) 0.0334(12) Uani 1 1 d .
H24A H 0.1478 -0.2188 0.0904 0.040 Uiso 1 1 calc R
N1 N 0.4711(4) 0.0977(3) 0.39936(15) 0.0338(11) Uani 1 1 d .
H1A H 0.4609 0.0438 0.3995 0.041 Uiso 1 1 calc R
N2 N 0.1018(5) 0.0329(3) 0.3630(2) 0.0552(15) Uani 1 1 d .
H2B H 0.0883 -0.0200 0.3671 0.066 Uiso 1 1 calc R
N3 N 0.1771(5) -0.0615(3) 0.15253(16) 0.0383(11) Uani 1 1 d .
H3B H 0.1700 -0.0073 0.1524 0.046 Uiso 1 1 calc R
OW1 O 0.1668(4) 0.5069(2) 0.23403(12) 0.0402(9) Uani 1 1 d .
OW2 O 0.4470(4) 0.5621(2) 0.23838(13) 0.0424(10) Uani 1 1 d .
OW3 O 0.2574(4) 0.6562(2) 0.28625(15) 0.0497(11) Uani 1 1 d .
OW4 O 0.1517(4) -0.0991(3) 0.01270(13) 0.0517(11) Uani 1 1 d .
OW5 O -0.1206(4) -0.0578(3) 0.04166(12) 0.0463(11) Uani 1 1 d .
OW6 O -0.0220(4) 0.3803(2) 0.11073(17) 0.0582(13) Uani 1 1 d .
OW7 O 0.2286(5) -0.4366(4) 0.01110(17) 0.0810(17) Uani 1 1 d .
OW8 O 0.7013(5) 0.1517(3) 0.1084(2) 0.0762(15) Uani 1 1 d U
OW9 O 0.0959(6) -0.2729(3) 0.01561(16) 0.0809(18) Uani 1 1 d .
OW10 O -0.0016(4) 0.3694(3) 0.23380(14) 0.0516(11) Uani 1 1 d .
OW11 O 0.3983(8) -0.0870(7) -0.0175(3) 0.065(3) Uani 0.50 1 d P
OW12 O -0.0052(8) 0.4438(6) 0.0378(3) 0.050(2) Uani 0.50 1 d P
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'
Mn Mn 0.3368 0.7283 '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 105.97(17) . .
O13 Mo1 O7 95.61(16) . .
O14 Mo1 O7 101.57(15) . .
O13 Mo1 O12 100.45(16) . .
O14 Mo1 O12 97.16(15) . .
O7 Mo1 O12 150.87(13) . .
O13 Mo1 O1 158.40(15) . .
O14 Mo1 O1 94.37(14) . .
O7 Mo1 O1 72.79(12) . .
O12 Mo1 O1 83.79(12) . .
O13 Mo1 O6 89.83(15) . .
O14 Mo1 O6 162.54(14) . .
O7 Mo1 O6 83.81(12) . .
O12 Mo1 O6 72.19(12) . .
O1 Mo1 O6 71.16(11) . .
O15 Mo2 O16 105.3(2) . .
O15 Mo2 O8 101.99(17) . .
O16 Mo2 O8 96.45(17) . .
O15 Mo2 O7 97.47(17) . .
O16 Mo2 O7 100.28(17) . .
O8 Mo2 O7 149.94(13) . .
O15 Mo2 O2 91.24(16) . .
O16 Mo2 O2 161.78(17) . .
O8 Mo2 O2 72.18(12) . .
O7 Mo2 O2 84.79(13) . .
O15 Mo2 O1 158.59(16) . .
O16 Mo2 O1 94.63(16) . .
O8 Mo2 O1 83.15(12) . .
O7 Mo2 O1 70.81(12) . .
O2 Mo2 O1 70.34(10) . .
O18 Mo3 O17 105.73(18) . .
O18 Mo3 O8 99.16(16) . .
O17 Mo3 O8 102.17(16) . .
O18 Mo3 O9 100.58(16) . .
O17 Mo3 O9 92.61(15) . .
O8 Mo3 O9 151.05(13) . .
O18 Mo3 O3 91.32(15) . .
O17 Mo3 O3 158.93(15) . .
O8 Mo3 O3 86.87(13) . .
O9 Mo3 O3 71.75(12) . .
O18 Mo3 O2 160.10(15) . .
O17 Mo3 O2 93.72(15) . .
O8 Mo3 O2 72.07(12) . .
O9 Mo3 O2 82.36(12) . .
O3 Mo3 O2 70.75(11) . .
O20 Mo4 O19 104.93(17) . .
O20 Mo4 O9 101.91(16) . .
O19 Mo4 O9 96.63(16) . .
O20 Mo4 O10 97.73(16) . .
O19 Mo4 O10 100.13(15) . .
O9 Mo4 O10 149.87(13) . .
O20 Mo4 O3 91.64(14) . .
O19 Mo4 O3 161.97(15) . .
O9 Mo4 O3 72.59(12) . .
O10 Mo4 O3 84.31(12) . .
O20 Mo4 O4 159.48(14) . .
O19 Mo4 O4 93.98(14) . .
O9 Mo4 O4 83.40(12) . .
O10 Mo4 O4 70.66(12) . .
O3 Mo4 O4 70.84(11) . .
O21 Mo5 O22 105.11(17) . .
O21 Mo5 O11 99.71(16) . .
O22 Mo5 O11 99.82(15) . .
O21 Mo5 O10 94.24(16) . .
O22 Mo5 O10 102.30(15) . .
O11 Mo5 O10 149.71(13) . .
O21 Mo5 O4 159.25(14) . .
O22 Mo5 O4 93.26(14) . .
O11 Mo5 O4 86.29(13) . .
O10 Mo5 O4 72.09(12) . .
O21 Mo5 O5 91.51(14) . .
O22 Mo5 O5 162.52(14) . .
O11 Mo5 O5 71.49(12) . .
O10 Mo5 O5 81.44(12) . .
O4 Mo5 O5 71.43(10) . .
O24 Mo6 O23 105.63(19) . .
O24 Mo6 O12 96.36(15) . .
O23 Mo6 O12 101.65(16) . .
O24 Mo6 O11 102.82(16) . .
O23 Mo6 O11 95.78(15) . .
O12 Mo6 O11 149.51(13) . .
O24 Mo6 O5 91.91(15) . .
O23 Mo6 O5 160.73(15) . .
O12 Mo6 O5 83.87(12) . .
O11 Mo6 O5 72.12(12) . .
O24 Mo6 O6 159.79(15) . .
O23 Mo6 O6 93.14(15) . .
O12 Mo6 O6 72.08(12) . .
O11 Mo6 O6 82.24(12) . .
O5 Mo6 O6 70.80(10) . .
O27 Mn1 OW2 163.58(16) . .
O27 Mn1 OW1 85.72(16) . .
OW2 Mn1 OW1 88.30(16) . .
O27 Mn1 O25 95.86(15) . .
OW2 Mn1 O25 90.07(15) . .
OW1 Mn1 O25 178.36(15) . .
O27 Mn1 OW3 106.20(17) . .
OW2 Mn1 OW3 88.66(16) . .
OW1 Mn1 OW3 86.57(16) . .
O25 Mn1 OW3 93.35(15) . .
OW5 Mn2 OW5 180.0 3 .
OW5 Mn2 O14 90.41(14) 3 3
OW5 Mn2 O14 89.59(14) . 3
OW5 Mn2 O14 89.59(14) 3 .
OW5 Mn2 O14 90.41(14) . .
O14 Mn2 O14 180.00 3 .
OW5 Mn2 OW4 88.39(17) 3 .
OW5 Mn2 OW4 91.61(17) . .
O14 Mn2 OW4 91.23(14) 3 .
O14 Mn2 OW4 88.77(14) . .
OW5 Mn2 OW4 91.61(17) 3 3
OW5 Mn2 OW4 88.39(17) . 3
O14 Mn2 OW4 88.77(14) 3 3
O14 Mn2 OW4 91.23(14) . 3
OW4 Mn2 OW4 180.0 . 3
O3 Cr1 O1 96.51(13) . .
O3 Cr1 O2 84.50(13) . .
O1 Cr1 O2 84.79(12) . .
O3 Cr1 O5 95.35(13) . .
O1 Cr1 O5 96.59(13) . .
O2 Cr1 O5 178.62(13) . .
O3 Cr1 O6 179.22(13) . .
O1 Cr1 O6 83.77(12) . .
O2 Cr1 O6 96.25(13) . .
O5 Cr1 O6 83.89(13) . .
O3 Cr1 O4 84.41(12) . .
O1 Cr1 O4 178.29(13) . .
O2 Cr1 O4 93.86(13) . .
O5 Cr1 O4 84.76(12) . .
O6 Cr1 O4 95.33(13) . .
Cr1 O1 Mo1 103.12(13) . .
Cr1 O1 Mo2 101.54(12) . .
Mo1 O1 Mo2 93.15(11) . .
Cr1 O2 Mo2 103.31(13) . .
Cr1 O2 Mo3 101.79(13) . .
Mo2 O2 Mo3 92.64(11) . .
Cr1 O3 Mo3 102.88(13) . .
Cr1 O3 Mo4 103.29(13) . .
Mo3 O3 Mo4 93.95(11) . .
Cr1 O4 Mo5 103.63(12) . .
Cr1 O4 Mo4 101.47(12) . .
Mo5 O4 Mo4 94.21(11) . .
Cr1 O5 Mo6 102.69(13) . .
Cr1 O5 Mo5 100.13(12) . .
Mo6 O5 Mo5 92.69(11) . .
Cr1 O6 Mo1 101.95(12) . .
Cr1 O6 Mo6 102.60(13) . .
Mo1 O6 Mo6 93.61(11) . .
Mo1 O7 Mo2 119.05(16) . .
Mo3 O8 Mo2 119.08(17) . .
Mo4 O9 Mo3 116.94(16) . .
Mo4 O10 Mo5 118.23(16) . .
Mo5 O11 Mo6 120.01(16) . .
Mo6 O12 Mo1 117.54(15) . .
Mo1 O14 Mn2 148.4(2) . .
C1 O25 Mn1 130.5(3) . .
C9 O27 Mn1 143.7(4) . .
O26 C1 O25 125.3(5) . .
O26 C1 C2 118.1(4) . .
O25 C1 C2 116.5(4) . .
C3 C2 C1 123.1(5) . .
C2 C3 C4 125.1(5) . .
C8 C4 C5 118.1(5) . .
C8 C4 C3 120.3(5) . .
C5 C4 C3 121.6(4) . .
C6 C5 C4 119.1(5) . .
N1 C6 C5 120.7(5) . .
N1 C7 C8 119.5(5) . .
C7 C8 C4 120.1(5) . .
O28 C9 O27 126.0(5) . .
O28 C9 C10 117.2(5) . .
O27 C9 C10 116.8(5) . .
C11 C10 C9 123.9(5) . .
C10 C11 C12 125.9(5) . .
C13 C12 C16 117.8(5) . .
C13 C12 C11 118.7(5) . .
C16 C12 C11 123.5(5) . .
C14 C13 C12 120.1(6) . .
N2 C14 C13 120.2(6) . .
N2 C15 C16 120.2(6) . .
C15 C16 C12 119.8(6) . .
O30 C17 O29 124.5(5) . .
O30 C17 C18 119.6(5) . .
O29 C17 C18 115.9(5) . .
C19 C18 C17 124.0(5) . .
C18 C19 C20 125.3(5) . .
C21 C20 C24 117.1(5) . .
C21 C20 C19 120.4(5) . .
C24 C20 C19 122.5(5) . .
C22 C21 C20 121.4(6) . .
N3 C22 C21 119.2(6) . .
N3 C23 C24 120.3(5) . .
C23 C24 C20 119.7(5) . .
C6 N1 C7 122.5(5) . .
C14 N2 C15 121.9(6) . .
C23 N3 C22 122.3(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O13 1.687(3) .
Mo1 O14 1.727(3) .
Mo1 O7 1.921(3) .
Mo1 O12 1.949(3) .
Mo1 O1 2.254(3) .
Mo1 O6 2.276(3) .
Mo2 O15 1.697(4) .
Mo2 O16 1.702(4) .
Mo2 O8 1.931(3) .
Mo2 O7 1.939(3) .
Mo2 O2 2.278(3) .
Mo2 O1 2.326(3) .
Mo3 O18 1.704(3) .
Mo3 O17 1.708(3) .
Mo3 O8 1.909(3) .
Mo3 O9 1.979(3) .
Mo3 O3 2.267(3) .
Mo3 O2 2.299(3) .
Mo4 O20 1.705(3) .
Mo4 O19 1.713(3) .
Mo4 O9 1.918(3) .
Mo4 O10 1.934(3) .
Mo4 O3 2.276(3) .
Mo4 O4 2.308(3) .
Mo5 O21 1.709(3) .
Mo5 O22 1.715(3) .
Mo5 O11 1.909(3) .
Mo5 O10 1.946(3) .
Mo5 O4 2.236(3) .
Mo5 O5 2.344(3) .
Mo6 O24 1.699(4) .
Mo6 O23 1.703(4) .
Mo6 O12 1.942(3) .
Mo6 O11 1.956(3) .
Mo6 O5 2.283(3) .
Mo6 O6 2.287(3) .
Mn1 O27 2.051(4) .
Mn1 OW2 2.129(4) .
Mn1 OW1 2.167(4) .
Mn1 O25 2.177(4) .
Mn1 OW3 2.182(4) .
Mn2 OW5 2.133(4) 3
Mn2 OW5 2.133(4) .
Mn2 O14 2.179(3) 3
Mn2 O14 2.179(3) .
Mn2 OW4 2.213(4) .
Mn2 OW4 2.213(4) 3
Cr1 O3 1.967(3) .
Cr1 O1 1.968(3) .
Cr1 O2 1.966(3) .
Cr1 O5 1.981(3) .
Cr1 O6 1.979(3) .
Cr1 O4 1.988(3) .
O25 C1 1.274(6) .
O26 C1 1.235(6) .
O27 C9 1.247(6) .
O28 C9 1.243(7) .
O29 C17 1.256(6) .
O30 C17 1.245(6) .
C1 C2 1.502(7) .
C2 C3 1.328(7) .
C3 C4 1.463(7) .
C4 C8 1.388(7) .
C4 C5 1.397(7) .
C5 C6 1.374(7) .
C6 N1 1.324(7) .
C7 N1 1.329(7) .
C7 C8 1.380(7) .
C9 C10 1.498(7) .
C10 C11 1.312(7) .
C11 C12 1.458(7) .
C12 C13 1.387(8) .
C12 C16 1.384(8) .
C13 C14 1.368(9) .
C14 N2 1.315(9) .
C15 N2 1.338(9) .
C15 C16 1.364(8) .
C17 C18 1.498(7) .
C18 C19 1.313(7) .
C19 C20 1.470(7) .
C20 C21 1.392(8) .
C20 C24 1.392(7) .
C21 C22 1.363(8) .
C22 N3 1.336(8) .
C23 N3 1.326(7) .
C23 C24 1.380(7) .
