#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:28:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180395 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/64/7206408.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_7206408
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            'C32 H46 Cr Mn Mo6 N4 Na O38'
_chemical_formula_weight         1800.30
_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                106.238(3)
_cell_angle_beta                 94.151(3)
_cell_angle_gamma                91.344(3)
_cell_formula_units_Z            1
_cell_length_a                   10.6700(6)
_cell_length_b                   10.9118(7)
_cell_length_c                   11.7075(7)
_cell_measurement_reflns_used    9492
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.92
_cell_volume                     1303.92(14)
_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 0.957
_diffrn_measured_fraction_theta_max 0.957
_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  0.0163
_diffrn_reflns_av_sigmaI/netI    0.0219
_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       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9492
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.92
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.950
_exptl_absorpt_correction_T_max  0.807
_exptl_absorpt_correction_T_min  0.633
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'ABSCOR by T.Higashi 8 March, 1995'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.293
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             882
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.707
_refine_diff_density_min         -0.656
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4382
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0271
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0466P)²+2.9666P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0779
_refine_ls_wR_factor_ref         0.0798
_reflns_number_gt                4116
_reflns_number_total             4382
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05391d.txt
_cod_data_source_block           mn1
_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_original_sg_symbol_H-M      P-1
_cod_database_code               7206408
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 -0.01848(3) 1.82439(3) 0.71593(2) 0.01625(10) Uani 1 1 d .
Mo2 Mo 0.21475(3) 1.78876(3) 0.90799(3) 0.01746(10) Uani 1 1 d .
Mo3 Mo 0.23874(3) 1.97048(3) 1.18580(3) 0.01625(10) Uani 1 1 d .
Cr1 Cr 0.0000 2.0000 1.0000 0.01183(17) Uani 1 2 d S
Mn1 Mn 0.0000 1.5000 0.5000 0.01914(17) Uani 1 2 d S
Na1 Na 0.5000 2.0000 1.0000 0.0603(9) Uani 1 2 d S
O1 O 0.1837(2) 1.9941(2) 1.0047(2) 0.0155(5) Uani 1 1 d .
O2 O 0.0215(2) 1.9705(2) 1.1592(2) 0.0162(5) Uani 1 1 d .
O3 O -0.0022(2) 2.1833(2) 1.0874(2) 0.0157(5) Uani 1 1 d .
O4 O 0.1548(2) 1.8398(2) 0.7686(2) 0.0207(5) Uani 1 1 d .
O5 O 0.2089(2) 1.8019(2) 1.0752(2) 0.0212(5) Uani 1 1 d .
O6 O 0.1882(2) 2.1430(2) 1.2428(2) 0.0184(5) Uani 1 1 d .
O7 O -0.0120(3) 1.8885(3) 0.5999(2) 0.0289(6) Uani 1 1 d .
O8 O -0.0434(3) 1.6614(3) 0.6526(2) 0.0271(6) Uani 1 1 d .
O9 O 0.3710(2) 1.8199(3) 0.9023(2) 0.0278(6) Uani 1 1 d .
O10 O 0.1929(3) 1.6257(2) 0.8572(3) 0.0297(6) Uani 1 1 d .
O11 O 0.3942(2) 1.9987(3) 1.1711(2) 0.0253(6) Uani 1 1 d .
O12 O 0.2353(3) 1.9246(3) 1.3147(2) 0.0270(6) Uani 1 1 d .
O13 O 0.1513(2) 1.6186(3) 0.4666(2) 0.0285(6) Uani 1 1 d .
O14 O 0.3150(3) 1.5511(4) 0.5579(4) 0.0540(10) Uani 1 1 d .
O15 O 0.1430(3) 2.2621(3) 0.9334(3) 0.0456(8) Uani 1 1 d .
O16 O 0.3175(3) 2.1555(3) 0.9463(3) 0.0377(7) Uani 1 1 d .
C1 C 0.2678(4) 1.6208(4) 0.5001(4) 0.0269(8) Uani 1 1 d .
C2 C 0.3511(4) 1.7139(4) 0.4653(4) 0.0284(9) Uani 1 1 d .
H2A H 0.3145 1.7756 0.4343 0.034 Uiso 1 1 calc R
C3 C 0.4753(4) 1.7118(4) 0.4772(4) 0.0287(9) Uani 1 1 d .
H3A H 0.5093 1.6517 0.5119 0.034 Uiso 1 1 calc R
C4 C 0.5646(3) 1.7955(4) 0.4407(3) 0.0242(8) Uani 1 1 d .
C5 C 0.5301(4) 1.8892(4) 0.3852(3) 0.0274(8) Uani 1 1 d .
H5A H 0.4454 1.9036 0.3721 0.033 Uiso 1 1 calc R
C6 C 0.7434(4) 1.9392(4) 0.3679(4) 0.0346(10) Uani 1 1 d .
H6A H 0.8048 1.9874 0.3452 0.041 Uiso 1 1 calc R
C7 C 0.7758(3) 1.8478(4) 0.4188(3) 0.0245(8) Uani 1 1 d .
H7A H 0.8606 1.8314 0.4277 0.029 Uiso 1 1 calc R
C8 C 0.6924(4) 1.7792(4) 0.4573(4) 0.0335(9) Uani 1 1 d .
H8A H 0.7202 1.7198 0.4958 0.040 Uiso 1 1 calc R
C9 C 0.2594(4) 2.2457(4) 0.9242(3) 0.0286(9) Uani 1 1 d .
C10 C 0.3316(4) 2.3425(4) 0.8836(4) 0.0282(9) Uani 1 1 d .
H10A H 0.2886 2.4070 0.8623 0.034 Uiso 1 1 calc R
C11 C 0.4546(4) 2.3392(4) 0.8769(3) 0.0264(8) Uani 1 1 d .
H11A H 0.4947 2.2729 0.8978 0.032 Uiso 1 1 calc R
C12 C 0.5338(3) 2.4303(3) 0.8398(3) 0.0216(8) Uani 1 1 d .
C13 C 0.4891(4) 2.5333(4) 0.8021(4) 0.0273(8) Uani 1 1 d .
H13A H 0.4033 2.5461 0.7977 0.033 Uiso 1 1 calc R
C14 C 0.6971(4) 2.5953(4) 0.7774(4) 0.0354(10) Uani 1 1 d .
H14A H 0.7534 2.6499 0.7561 0.042 Uiso 1 1 calc R
C15 C 0.7388(3) 2.4977(3) 0.8135(3) 0.0201(7) Uani 1 1 d .
H15A H 0.8249 2.4860 0.8175 0.024 Uiso 1 1 calc R
C16 C 0.6628(4) 2.4155(4) 0.8444(4) 0.0283(9) Uani 1 1 d .
H16A H 0.6962 2.3482 0.8690 0.034 Uiso 1 1 calc R
N1 N 0.6198(4) 1.9606(4) 0.3499(4) 0.0467(10) Uani 1 1 d .
H1A H 0.5975 2.0185 0.3165 0.056 Uiso 1 1 calc R
N2 N 0.5710(4) 2.6157(4) 0.7715(4) 0.0494(10) Uani 1 1 d .
H2B H 0.5434 2.6793 0.7490 0.059 Uiso 1 1 calc R
OW1 O 0.1268(3) 1.4400(3) 0.6260(2) 0.0310(6) Uani 1 1 d .
OW2 O 0.9845(4) 2.4480(4) 0.8563(5) 0.0770(14) Uani 1 1 d .
OW3 O 1.0182(3) 1.7891(3) 0.3453(3) 0.0452(8) 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'
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'
Na Na 0.0362 0.0249 '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
O7 Mo1 O8 105.83(13) . .
O7 Mo1 O4 98.97(12) . .
O8 Mo1 O4 102.61(12) . .
O7 Mo1 O6 101.35(12) . 2_597
O8 Mo1 O6 96.17(11) . 2_597
O4 Mo1 O6 147.30(10) . 2_597
O7 Mo1 O2 88.12(12) . 2_597
O8 Mo1 O2 163.28(11) . 2_597
O4 Mo1 O2 83.80(10) . 2_597
O6 Mo1 O2 71.61(9) 2_597 2_597
O7 Mo1 O3 157.66(11) . 2_597
O8 Mo1 O3 96.06(11) . 2_597
O4 Mo1 O3 71.37(9) . 2_597
O6 Mo1 O3 80.29(9) 2_597 2_597
O2 Mo1 O3 71.11(8) 2_597 2_597
O9 Mo2 O10 105.66(13) . .
O9 Mo2 O5 100.70(12) . .
O10 Mo2 O5 96.58(12) . .
O9 Mo2 O4 97.43(12) . .
O10 Mo2 O4 101.61(12) . .
O5 Mo2 O4 149.74(10) . .
O9 Mo2 O1 92.34(11) . .
O10 Mo2 O1 160.40(12) . .
O5 Mo2 O1 71.99(9) . .
O4 Mo2 O1 83.30(10) . .
O9 Mo2 O3 160.60(11) . 2_597
O10 Mo2 O3 92.29(11) . 2_597
O5 Mo2 O3 84.14(10) . 2_597
O4 Mo2 O3 71.24(9) . 2_597
O1 Mo2 O3 71.13(8) . 2_597
O9 Mo2 Na1 28.75(9) . .
O10 Mo2 Na1 132.24(9) . .
O5 Mo2 Na1 85.86(8) . .
O4 Mo2 Na1 99.15(7) . .
O1 Mo2 Na1 64.26(6) . .
O3 Mo2 Na1 135.21(6) 2_597 .
O11 Mo3 O12 105.58(13) . .
O11 Mo3 O6 99.71(12) . .
O12 Mo3 O6 99.78(12) . .
O11 Mo3 O5 100.86(12) . .
O12 Mo3 O5 96.94(12) . .
O6 Mo3 O5 148.84(10) . .
O11 Mo3 O1 91.41(11) . .
O12 Mo3 O1 161.45(11) . .
O6 Mo3 O1 84.26(10) . .
O5 Mo3 O1 72.10(9) . .
O11 Mo3 O2 160.78(11) . .
O12 Mo3 O2 92.93(11) . .
O6 Mo3 O2 71.52(9) . .
O5 Mo3 O2 81.57(10) . .
O1 Mo3 O2 71.03(8) . .
O11 Mo3 Na1 28.97(9) . .
O12 Mo3 Na1 131.79(9) . .
O6 Mo3 Na1 102.98(7) . .
O5 Mo3 Na1 84.66(8) . .
O1 Mo3 Na1 63.49(6) . .
O2 Mo3 Na1 134.51(6) . .
O1 Cr1 O1 180.000 . 2_597
O1 Cr1 O3 84.54(10) . 2_597
O1 Cr1 O3 95.46(10) 2_597 2_597
O1 Cr1 O3 95.46(10) . .
O1 Cr1 O3 84.54(10) 2_597 .
O3 Cr1 O3 180.000 2_597 .
O1 Cr1 O2 95.34(10) . 2_597
O1 Cr1 O2 84.66(10) 2_597 2_597
O3 Cr1 O2 85.87(10) 2_597 2_597
O3 Cr1 O2 94.13(10) . 2_597
O1 Cr1 O2 84.66(10) . .
O1 Cr1 O2 95.34(10) 2_597 .
O3 Cr1 O2 94.13(10) 2_597 .
O3 Cr1 O2 85.87(10) . .
O2 Cr1 O2 180.000 2_597 .
O13 Mn1 O13 180.0 . 2_586
O13 Mn1 OW1 90.04(11) . 2_586
O13 Mn1 OW1 89.96(11) 2_586 2_586
O13 Mn1 OW1 89.96(11) . .
O13 Mn1 OW1 90.04(11) 2_586 .
OW1 Mn1 OW1 180.000 2_586 .
O13 Mn1 O8 91.25(10) . 2_586
O13 Mn1 O8 88.75(10) 2_586 2_586
OW1 Mn1 O8 86.79(10) 2_586 2_586
OW1 Mn1 O8 93.21(10) . 2_586
O13 Mn1 O8 88.75(10) . .
O13 Mn1 O8 91.25(10) 2_586 .
OW1 Mn1 O8 93.21(10) 2_586 .
OW1 Mn1 O8 86.79(10) . .
O8 Mn1 O8 180.000 2_586 .
O9 Na1 O9 180.000 2_697 .
O9 Na1 O11 85.43(10) 2_697 2_697
O9 Na1 O11 94.57(9) . 2_697
O9 Na1 O11 94.57(9) 2_697 .
O9 Na1 O11 85.43(10) . .
O11 Na1 O11 180.000 2_697 .
O9 Na1 O16 89.97(9) 2_697 2_697
O9 Na1 O16 90.03(9) . 2_697
O11 Na1 O16 87.93(9) 2_697 2_697
O11 Na1 O16 92.07(9) . 2_697
O9 Na1 O16 90.03(9) 2_697 .
O9 Na1 O16 89.97(9) . .
O11 Na1 O16 92.07(9) 2_697 .
O11 Na1 O16 87.93(9) . .
O16 Na1 O16 180.000 2_697 .
O9 Na1 Mo2 20.53(6) 2_697 2_697
O9 Na1 Mo2 159.47(6) . 2_697
O11 Na1 Mo2 70.68(6) 2_697 2_697
O11 Na1 Mo2 109.32(6) . 2_697
O16 Na1 Mo2 75.63(6) 2_697 2_697
O16 Na1 Mo2 104.37(6) . 2_697
O9 Na1 Mo2 159.47(6) 2_697 .
O9 Na1 Mo2 20.53(6) . .
O11 Na1 Mo2 109.32(6) 2_697 .
O11 Na1 Mo2 70.68(6) . .
O16 Na1 Mo2 104.37(6) 2_697 .
O16 Na1 Mo2 75.63(6) . .
Mo2 Na1 Mo2 180.0 2_697 .
O9 Na1 Mo3 70.34(7) 2_697 2_697
O9 Na1 Mo3 109.66(7) . 2_697
O11 Na1 Mo3 20.42(6) 2_697 2_697
O11 Na1 Mo3 159.58(6) . 2_697
O16 Na1 Mo3 74.77(6) 2_697 2_697
O16 Na1 Mo3 105.23(6) . 2_697
Mo2 Na1 Mo3 52.797(7) 2_697 2_697
Mo2 Na1 Mo3 127.203(7) . 2_697
O9 Na1 Mo3 109.66(7) 2_697 .
O9 Na1 Mo3 70.34(7) . .
O11 Na1 Mo3 159.58(6) 2_697 .
O11 Na1 Mo3 20.42(6) . .
O16 Na1 Mo3 105.23(6) 2_697 .
O16 Na1 Mo3 74.77(6) . .
Mo2 Na1 Mo3 127.203(7) 2_697 .
Mo2 Na1 Mo3 52.797(7) . .
Mo3 Na1 Mo3 180.000 2_697 .
Cr1 O1 Mo3 103.63(10) . .
Cr1 O1 Mo2 103.21(10) . .
Mo3 O1 Mo2 93.98(9) . .
Cr1 O2 Mo1 101.75(10) . 2_597
Cr1 O2 Mo3 100.57(10) . .
Mo1 O2 Mo3 91.92(8) 2_597 .
Cr1 O3 Mo2 101.13(10) . 2_597
Cr1 O3 Mo1 101.25(10) . 2_597
Mo2 O3 Mo1 92.42(8) 2_597 2_597
Mo1 O4 Mo2 120.98(13) . .
Mo3 O5 Mo2 116.84(12) . .
Mo1 O6 Mo3 119.90(12) 2_597 .
Mo1 O8 Mn1 143.44(15) . .
Mo2 O9 Na1 130.73(14) . .
Mo3 O11 Na1 130.61(13) . .
C1 O13 Mn1 127.8(3) . .
C9 O16 Na1 164.8(3) . .
O14 C1 O13 124.6(4) . .
O14 C1 C2 119.1(4) . .
O13 C1 C2 116.3(4) . .
C3 C2 C1 122.2(4) . .
C2 C3 C4 126.1(4) . .
C8 C4 C5 116.4(4) . .
C8 C4 C3 119.0(4) . .
C5 C4 C3 124.6(3) . .
C4 C5 N1 121.0(4) . .
C7 C6 N1 119.2(4) . .
C8 C7 C6 123.0(4) . .
C7 C8 C4 120.7(4) . .
O16 C9 O15 125.2(4) . .
O16 C9 C10 118.2(4) . .
O15 C9 C10 116.7(4) . .
C11 C10 C9 122.0(4) . .
C10 C11 C12 126.1(4) . .
C16 C12 C13 117.3(3) . .
C16 C12 C11 118.0(4) . .
C13 C12 C11 124.7(4) . .
N2 C13 C12 120.6(4) . .
C15 C14 N2 119.9(4) . .
C14 C15 C16 122.9(4) . .
C15 C16 C12 120.1(4) . .
C6 N1 C5 119.7(4) . .
C13 N2 C14 119.2(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O7 1.698(3) .
Mo1 O8 1.731(3) .
Mo1 O4 1.894(3) .
Mo1 O6 1.924(2) 2_597
Mo1 O2 2.309(2) 2_597
Mo1 O3 2.323(2) 2_597
Mo2 O9 1.703(3) .
Mo2 O10 1.716(3) .
Mo2 O5 1.928(2) .
Mo2 O4 1.938(2) .
Mo2 O1 2.254(2) .
Mo2 O3 2.298(2) 2_597
Mo2 Na1 3.6803(4) .
Mo3 O11 1.710(3) .
Mo3 O12 1.720(3) .
Mo3 O6 1.918(2) .
Mo3 O5 1.934(2) .
Mo3 O1 2.245(2) .
Mo3 O2 2.317(2) .
Mo3 Na1 3.7194(3) .
Cr1 O1 1.959(2) .
Cr1 O1 1.959(2) 2_597
Cr1 O3 1.977(2) 2_597
Cr1 O3 1.977(2) .
Cr1 O2 1.977(2) 2_597
Cr1 O2 1.977(2) .
Mn1 O13 2.170(3) .
Mn1 O13 2.170(3) 2_586
Mn1 OW1 2.174(3) 2_586
Mn1 OW1 2.174(3) .
Mn1 O8 2.215(3) 2_586
Mn1 O8 2.215(3) .
Na1 O9 2.336(3) 2_697
Na1 O9 2.336(3) .
Na1 O11 2.373(3) 2_697
Na1 O11 2.373(3) .
Na1 O16 2.764(3) 2_697
Na1 O16 2.764(3) .
Na1 Mo2 3.6803(4) 2_697
Na1 Mo3 3.7194(3) 2_697
O2 Mo1 2.309(2) 2_597
O3 Mo2 2.298(2) 2_597
O3 Mo1 2.323(2) 2_597
O6 Mo1 1.924(2) 2_597
O13 C1 1.274(5) .
O14 C1 1.244(5) .
O15 C9 1.267(5) .
O16 C9 1.252(5) .
C1 C2 1.493(6) .
C2 C3 1.325(6) .
C3 C4 1.469(6) .
C4 C8 1.387(6) .
C4 C5 1.399(6) .
C5 N1 1.376(6) .
C6 C7 1.337(6) .
C6 N1 1.357(6) .
C7 C8 1.330(6) .
C9 C10 1.494(5) .
C10 C11 1.321(6) .
C11 C12 1.465(5) .
C12 C16 1.388(6) .
C12 C13 1.398(5) .
C13 N2 1.375(6) .
C14 C15 1.327(6) .
C14 N2 1.368(6) .
C15 C16 1.336(5) .
