#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:26:42 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180079 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/25/7052557.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_7052557
loop_
_publ_author_name
'Zhang, Chun-Jing'
'Pang, Hai-Jun'
'Tang, Qun'
'Wang, Hui-Yuan'
'Chen, Ya-Guang'
_publ_section_title
;
 Three 3D octamolybdate-based hybrids with 1D--3D
 CuI/CuII-bis(triazole) motifs: influence of the amount of Et3N
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              190
_journal_paper_doi               10.1039/c0nj00542h
_journal_volume                  35
_journal_year                    2011
_chemical_formula_sum            'C40 H64 Cu2 Mo8 N24 O26'
_chemical_formula_weight         2191.78
_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                100.001(2)
_cell_angle_beta                 105.253(2)
_cell_angle_gamma                111.736(3)
_cell_formula_units_Z            1
_cell_length_a                   12.481(3)
_cell_length_b                   12.862(4)
_cell_length_c                   13.332(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      7.5
_cell_volume                     1828.1(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 0.991
_diffrn_measured_fraction_theta_max 0.991
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.0296
_diffrn_reflns_av_sigmaI/netI    0.0719
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12658
_diffrn_reflns_theta_full        25.75
_diffrn_reflns_theta_max         25.75
_diffrn_reflns_theta_min         2.90
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 150
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.979
_exptl_absorpt_correction_T_max  0.803
_exptl_absorpt_correction_T_min  0.799
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.991
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1074.0
_exptl_crystal_size_max          0.1131
_exptl_crystal_size_mid          0.1120
_exptl_crystal_size_min          0.1109
_refine_diff_density_max         1.390
_refine_diff_density_min         -0.852
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.960
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         7005
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0326
_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)+(0.0264P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0660
_refine_ls_wR_factor_ref         0.0678
_reflns_number_gt                4718
_reflns_number_total             7005
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0NJ00542H.TXT
_cod_data_source_block           compound3
_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_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7052557
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 1.48872(4) 0.62622(3) 0.57642(3) 0.02063(11) Uani 1 1 d . . .
Mo2 Mo 1.56060(4) 0.41058(4) 0.71731(3) 0.02196(11) Uani 1 1 d . . .
Mo3 Mo 1.73202(4) 0.68694(4) 0.44849(3) 0.02212(11) Uani 1 1 d . . .
Mo4 Mo 1.79973(4) 0.61046(4) 0.67744(4) 0.03234(13) Uani 1 1 d . . .
Cu1 Cu 1.5000 0.5000 1.0000 0.0239(2) Uani 1 2 d S . .
Cu2 Cu 2.0000 0.0000 1.5000 0.0234(2) Uani 1 2 d S . .
O1 O 1.8947(3) 0.7516(4) 0.7500(3) 0.0546(12) Uani 1 1 d . . .
O2 O 1.8810(4) 0.5342(4) 0.7077(3) 0.0558(12) Uani 1 1 d . . .
O3 O 1.6865(3) 0.5650(3) 0.7501(3) 0.0280(8) Uani 1 1 d . . .
O4 O 1.8412(3) 0.8284(3) 0.5140(3) 0.0328(8) Uani 1 1 d . . .
O5 O 1.7959(3) 0.6042(3) 0.5332(3) 0.0289(8) Uani 1 1 d . . .
O6 O 1.3925(3) 0.5865(3) 0.4383(3) 0.0342(9) Uani 1 1 d . . .
O7 O 1.4087(3) 0.2868(3) 0.6140(3) 0.0248(8) Uani 1 1 d . . .
O8 O 1.7656(3) 0.6498(3) 0.3361(3) 0.0320(8) Uani 1 1 d . . .
O9 O 1.6404(3) 0.3334(3) 0.7524(3) 0.0338(9) Uani 1 1 d . . .
O10 O 1.4710(4) 0.7321(3) 0.6552(3) 0.0542(12) Uani 1 1 d . . .
O11 O 1.4432(3) 0.4998(3) 0.6236(3) 0.0349(9) Uani 1 1 d . . .
O12 O 1.5149(3) 0.4399(3) 0.8247(3) 0.0303(8) Uani 1 1 d . . .
O13 O 1.6464(3) 0.6761(3) 0.5874(3) 0.0311(8) Uani 1 1 d . . .
N1 N 2.0958(5) -0.1088(4) 1.2331(4) 0.0540(15) Uani 1 1 d . . .
N2 N 1.2180(5) 0.1598(4) 0.8728(4) 0.0678(17) Uani 1 1 d . . .
N3 N 1.2287(4) 0.1846(4) 0.9782(4) 0.0451(13) Uani 1 1 d . . .
N4 N 1.6925(4) 0.0015(5) 1.2930(5) 0.0642(17) Uani 1 1 d . . .
N5 N 1.2608(5) 0.6544(5) 0.9195(4) 0.0653(17) Uani 1 1 d . . .
N6 N 1.3883(4) 0.5706(3) 0.9371(3) 0.0268(10) Uani 1 1 d . . .
N7 N 1.8687(4) 0.0232(3) 1.3942(3) 0.0258(10) Uani 1 1 d . . .
N8 N 2.0684(4) -0.2039(3) 1.2699(4) 0.0326(11) Uani 1 1 d . . .
N9 N 1.7767(5) 0.0820(5) 1.2643(5) 0.0652(17) Uani 1 1 d . . .
N10 N 1.3553(4) 0.3447(3) 0.9654(3) 0.0289(10) Uani 1 1 d . . .
N11 N 1.2808(4) 0.6315(4) 0.8261(3) 0.0310(10) Uani 1 1 d . . .
N12 N 2.0321(4) -0.0827(3) 1.3744(3) 0.0256(10) Uani 1 1 d . . .
C1 C 1.5074(7) 0.0112(9) 1.1814(9) 0.130(4) Uani 1 1 d DU . .
H1A H 1.5523 0.0446 1.1367 0.156 Uiso 1 1 calc R . .
H1B H 1.5222 0.0764 1.2408 0.156 Uiso 1 1 calc R . .
C2 C 1.3743(6) -0.0432(8) 1.1144(7) 0.100(3) Uani 1 1 d D . .
H2A H 1.3597 -0.0942 1.0445 0.120 Uiso 1 1 calc R . .
H2B H 1.3273 -0.0908 1.1507 0.120 Uiso 1 1 calc R . .
C3 C 1.3103(5) 0.2938(5) 1.0317(5) 0.0458(16) Uani 1 1 d . . .
H3A H 1.3328 0.3296 1.1057 0.055 Uiso 1 1 calc R . .
C4 C 1.5601(8) -0.0537(9) 1.2261(10) 0.140(4) Uani 1 1 d DU . .
H4A H 1.5458 -0.1186 1.1667 0.168 Uiso 1 1 calc R . .
H4B H 1.5152 -0.0873 1.2707 0.168 Uiso 1 1 calc R . .
C5 C 1.8801(5) 0.0917(5) 1.3283(5) 0.0413(15) Uani 1 1 d . . .
H5A H 1.9564 0.1421 1.3287 0.050 Uiso 1 1 calc R . .
C6 C 1.0527(5) 0.5574(5) 0.5395(4) 0.0363(13) Uani 1 1 d . . .
H6A H 1.0207 0.6138 0.5559 0.044 Uiso 1 1 calc R . .
H6B H 1.1122 0.5889 0.5055 0.044 Uiso 1 1 calc R . .
C7 C 1.2173(5) 0.6544(5) 0.7286(4) 0.0414(14) Uani 1 1 d . . .
H7A H 1.2765 0.6936 0.6969 0.050 Uiso 1 1 calc R . .
H7B H 1.1810 0.7058 0.7491 0.050 Uiso 1 1 calc R . .
C8 C 1.2933(6) 0.2581(5) 0.8684(5) 0.0584(19) Uani 1 1 d . . .
H8A H 1.3044 0.2689 0.8041 0.070 Uiso 1 1 calc R . .
C9 C 1.7484(5) -0.0324(5) 1.3686(5) 0.0390(14) Uani 1 1 d . . .
H9A H 1.7092 -0.0875 1.3997 0.047 Uiso 1 1 calc R . .
C10 C 1.3333(6) 0.0454(7) 1.0973(7) 0.082(2) Uani 1 1 d . . .
H10A H 1.3864 0.0968 1.0674 0.099 Uiso 1 1 calc R . .
H10B H 1.3435 0.0923 1.1674 0.099 Uiso 1 1 calc R . .
C11 C 2.0114(6) -0.3655(5) 1.1033(5) 0.0494(16) Uani 1 1 d . . .
H11A H 2.0297 -0.3112 1.0611 0.059 Uiso 1 1 calc R . .
H11B H 1.9250 -0.3928 1.0948 0.059 Uiso 1 1 calc R . .
C12 C 1.3272(6) 0.6174(6) 0.9836(5) 0.062(2) Uani 1 1 d . . .
H12A H 1.3317 0.6230 1.0553 0.074 Uiso 1 1 calc R . .
C13 C 1.1589(6) 0.0928(5) 1.0204(6) 0.070(2) Uani 1 1 d . . .
H13A H 1.0721 0.0571 0.9751 0.084 Uiso 1 1 calc R . .
H13B H 1.1669 0.1294 1.0937 0.084 Uiso 1 1 calc R . .
C14 C 2.0350(6) -0.4697(5) 1.0604(4) 0.0446(15) Uani 1 1 d . . .
H14A H 2.1227 -0.4427 1.0749 0.053 Uiso 1 1 calc R . .
H14B H 2.0112 -0.5260 1.0997 0.053 Uiso 1 1 calc R . .
C15 C 2.0719(6) -0.0374(5) 1.2990(5) 0.0505(17) Uani 1 1 d . . .
H15A H 2.0814 0.0365 1.2940 0.061 Uiso 1 1 calc R . .
C16 C 2.0316(4) -0.1862(4) 1.3522(4) 0.0279(12) Uani 1 1 d . . .
H16A H 2.0082 -0.2401 1.3898 0.033 Uiso 1 1 calc R . .
C17 C 1.2017(5) -0.0007(5) 1.0228(5) 0.0488(16) Uani 1 1 d . . .
H17A H 1.1937 -0.0376 0.9495 0.059 Uiso 1 1 calc R . .
H17B H 1.1490 -0.0604 1.0464 0.059 Uiso 1 1 calc R . .
C18 C 1.3568(5) 0.5824(5) 0.8374(4) 0.0347(13) Uani 1 1 d . . .
H18A H 1.3847 0.5590 0.7835 0.042 Uiso 1 1 calc R . .
C19 C 1.1172(5) 0.5403(5) 0.6454(4) 0.0375(14) Uani 1 1 d . . .
H19A H 1.0563 0.5037 0.6766 0.045 Uiso 1 1 calc R . .
H19B H 1.1534 0.4875 0.6291 0.045 Uiso 1 1 calc R . .
C20 C 2.0903(5) -0.3034(5) 1.2213(5) 0.0414(15) Uani 1 1 d . . .
H20A H 2.0746 -0.3594 1.2621 0.050 Uiso 1 1 calc R . .
H20B H 2.1765 -0.2743 1.2286 0.050 Uiso 1 1 calc R . .
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'
Cu Cu 0.3201 1.2651 '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
_geom_angle_publ_flag
O10 Mo1 O6 110.46(19) . . ?
O10 Mo1 O13 110.07(17) . . ?
O6 Mo1 O13 110.02(14) . . ?
O10 Mo1 O11 107.93(18) . . ?
O6 Mo1 O11 108.61(16) . . ?
O13 Mo1 O11 109.72(15) . . ?
O9 Mo2 O12 104.25(16) . . ?
O9 Mo2 O3 103.50(15) . . ?
O12 Mo2 O3 96.55(14) . . ?
O9 Mo2 O7 100.29(15) . . ?
O12 Mo2 O7 100.03(14) . . ?
O3 Mo2 O7 146.54(14) . . ?
O9 Mo2 O6 91.66(14) . 2_866 ?
O12 Mo2 O6 163.46(14) . 2_866 ?
O3 Mo2 O6 74.94(13) . 2_866 ?
O7 Mo2 O6 81.23(12) . 2_866 ?
O9 Mo2 O11 166.16(14) . . ?
O12 Mo2 O11 88.82(14) . . ?
O3 Mo2 O11 79.07(13) . . ?
O7 Mo2 O11 72.46(12) . . ?
O6 Mo2 O11 75.76(12) 2_866 . ?
O8 Mo3 O4 103.19(15) . . ?
O8 Mo3 O5 99.59(14) . . ?
O4 Mo3 O5 101.48(16) . . ?
O8 Mo3 O7 100.54(15) . 2_866 ?
O4 Mo3 O7 100.23(15) . 2_866 ?
O5 Mo3 O7 146.01(12) . 2_866 ?
O8 Mo3 O13 162.42(14) . . ?
O4 Mo3 O13 94.03(13) . . ?
O5 Mo3 O13 73.14(12) . . ?
O7 Mo3 O13 79.54(12) 2_866 . ?
O8 Mo3 O11 87.25(14) . 2_866 ?
O4 Mo3 O11 168.63(13) . 2_866 ?
O5 Mo3 O11 80.87(13) . 2_866 ?
O7 Mo3 O11 73.07(12) 2_866 2_866 ?
O13 Mo3 O11 75.90(11) . 2_866 ?
O2 Mo4 O1 106.2(2) . . ?
O2 Mo4 O3 102.10(15) . . ?
O1 Mo4 O3 103.47(15) . . ?
O2 Mo4 O5 99.70(15) . . ?
O1 Mo4 O5 103.86(16) . . ?
O3 Mo4 O5 138.36(14) . . ?
O2 Mo4 O13 164.28(18) . . ?
O1 Mo4 O13 88.40(17) . . ?
O3 Mo4 O13 79.53(12) . . ?
O5 Mo4 O13 70.49(11) . . ?
N10 Cu1 N10 180.0(2) . 2_867 ?
N10 Cu1 N6 88.29(16) . 2_867 ?
N10 Cu1 N6 91.71(16) 2_867 2_867 ?
N10 Cu1 N6 91.71(16) . . ?
N10 Cu1 N6 88.29(16) 2_867 . ?
N6 Cu1 N6 180.000(2) 2_867 . ?
N10 Cu1 O12 90.62(14) . . ?
N10 Cu1 O12 89.38(14) 2_867 . ?
N6 Cu1 O12 89.73(13) 2_867 . ?
N6 Cu1 O12 90.27(13) . . ?
N10 Cu1 O12 89.38(14) . 2_867 ?
N10 Cu1 O12 90.62(14) 2_867 2_867 ?
N6 Cu1 O12 90.27(13) 2_867 2_867 ?
N6 Cu1 O12 89.73(13) . 2_867 ?
O12 Cu1 O12 180.000(1) . 2_867 ?
N7 Cu2 N7 180.000(3) 2_958 . ?
N7 Cu2 N12 89.30(16) 2_958 . ?
N7 Cu2 N12 90.70(16) . . ?
N7 Cu2 N12 90.70(16) 2_958 2_958 ?
N7 Cu2 N12 89.30(16) . 2_958 ?
N12 Cu2 N12 180.000(2) . 2_958 ?
N7 Cu2 O4 90.00(13) 2_958 1_546 ?
N7 Cu2 O4 90.00(13) . 1_546 ?
N12 Cu2 O4 98.26(13) . 1_546 ?
N12 Cu2 O4 81.74(13) 2_958 1_546 ?
N7 Cu2 O4 90.00(13) 2_958 2_967 ?
N7 Cu2 O4 90.00(13) . 2_967 ?
N12 Cu2 O4 81.74(13) . 2_967 ?
N12 Cu2 O4 98.26(13) 2_958 2_967 ?
O4 Cu2 O4 180.000(1) 1_546 2_967 ?
Mo4 O3 Mo2 125.76(17) . . ?
Mo3 O4 Cu2 145.79(18) . 1_564 ?
Mo4 O5 Mo3 124.46(16) . . ?
Mo1 O6 Mo2 131.03(16) . 2_866 ?
Mo2 O7 Mo3 122.03(16) . 2_866 ?
Mo1 O11 Mo3 133.26(18) . 2_866 ?
Mo1 O11 Mo2 131.83(16) . . ?
Mo3 O11 Mo2 88.56(11) 2_866 . ?
Mo2 O12 Cu1 166.94(19) . . ?
Mo1 O13 Mo3 129.47(17) . . ?
Mo1 O13 Mo4 128.42(16) . . ?
Mo3 O13 Mo4 87.72(10) . . ?
C15 N1 N8 102.3(4) . . ?
C8 N2 N3 102.6(5) . . ?
C3 N3 N2 110.3(4) . . ?
C3 N3 C13 128.9(6) . . ?
N2 N3 C13 120.7(5) . . ?
C9 N4 N9 110.4(5) . . ?
C9 N4 C4 127.5(5) . . ?
N9 N4 C4 120.7(6) . . ?
C12 N5 N11 104.2(4) . . ?
C18 N6 C12 102.4(4) . . ?
C18 N6 Cu1 128.4(3) . . ?
C12 N6 Cu1 129.2(4) . . ?
C9 N7 C5 103.3(4) . . ?
C9 N7 Cu2 127.1(3) . . ?
C5 N7 Cu2 129.5(3) . . ?
C16 N8 N1 110.0(4) . . ?
C16 N8 C20 130.2(4) . . ?
N1 N8 C20 119.6(4) . . ?
C5 N9 N4 101.9(5) . . ?
C3 N10 C8 102.5(4) . . ?
C3 N10 Cu1 129.3(4) . . ?
C8 N10 Cu1 127.4(3) . . ?
C18 N11 N5 108.8(4) . . ?
C18 N11 C7 129.0(4) . . ?
N5 N11 C7 122.0(4) . . ?
C16 N12 C15 103.0(4) . . ?
C16 N12 Cu2 129.4(3) . . ?
C15 N12 Cu2 127.3(3) . . ?
C4 C1 C2 120.6(9) . . ?
C10 C2 C1 110.7(8) . . ?
N10 C3 N3 110.0(5) . . ?
C1 C4 N4 120.1(8) . . ?
N9 C5 N7 114.8(5) . . ?
C6 C6 C19 111.6(5) 2_766 . ?
N11 C7 C19 110.3(4) . . ?
N2 C8 N10 114.7(5) . . ?
N4 C9 N7 109.7(4) . . ?
C2 C10 C17 115.0(7) . . ?
C20 C11 C14 110.7(5) . . ?
N5 C12 N6 114.0(5) . . ?
N3 C13 C17 113.3(5) . . ?
C14 C14 C11 113.0(6) 2_947 . ?
N1 C15 N12 113.6(5) . . ?
N12 C16 N8 111.1(4) . . ?
C13 C17 C10 112.7(6) . . ?
N11 C18 N6 110.7(4) . . ?
C7 C19 C6 112.8(4) . . ?
N8 C20 C11 113.7(5) . . ?
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
Mo1 O10 1.690(3) . ?
Mo1 O6 1.775(4) . ?
Mo1 O13 1.785(3) . ?
Mo1 O11 1.795(3) . ?
Mo2 O9 1.687(3) . ?
Mo2 O12 1.708(3) . ?
Mo2 O3 1.905(3) . ?
Mo2 O7 1.912(3) . ?
Mo2 O6 2.302(3) 2_866 ?
Mo2 O11 2.409(3) . ?
Mo3 O8 1.697(3) . ?
Mo3 O4 1.708(3) . ?
Mo3 O5 1.901(3) . ?
Mo3 O7 1.913(3) 2_866 ?
Mo3 O13 2.369(3) . ?
Mo3 O11 2.383(3) 2_866 ?
Mo4 O2 1.677(4) . ?
Mo4 O1 1.682(4) . ?
Mo4 O3 1.892(3) . ?
Mo4 O5 1.898(3) . ?
Mo4 O13 2.482(3) . ?
Cu1 N10 2.008(4) . ?
Cu1 N10 2.008(4) 2_867 ?
Cu1 N6 2.014(4) 2_867 ?
Cu1 N6 2.014(4) . ?
Cu1 O12 2.409(3) . ?
Cu1 O12 2.409(3) 2_867 ?
Cu2 N7 2.014(4) 2_958 ?
Cu2 N7 2.014(4) . ?
Cu2 N12 2.036(3) . ?
Cu2 N12 2.036(3) 2_958 ?
Cu2 O4 2.436(3) 1_546 ?
Cu2 O4 2.436(3) 2_967 ?
O4 Cu2 2.436(3) 1_564 ?
O6 Mo2 2.302(3) 2_866 ?
O7 Mo3 1.913(3) 2_866 ?
O11 Mo3 2.383(3) 2_866 ?
N1 C15 1.329(6) . ?
N1 N8 1.357(6) . ?
N2 C8 1.288(7) . ?
N2 N3 1.345(7) . ?
N3 C3 1.315(6) . ?
N3 C13 1.482(6) . ?
N4 C9 1.304(7) . ?
N4 N9 1.366(6) . ?
N4 C4 1.471(10) . ?
N5 C12 1.306(7) . ?
N5 N11 1.338(6) . ?
N6 C18 1.334(6) . ?
N6 C12 1.338(6) . ?
N7 C9 1.316(6) . ?
N7 C5 1.345(6) . ?
N8 C16 1.313(5) . ?
N8 C20 1.482(6) . ?
N9 C5 1.294(7) . ?
N10 C3 1.310(6) . ?
N10 C8 1.358(7) . ?
N11 C18 1.313(6) . ?
N11 C7 1.472(6) . ?
N12 C16 1.309(6) . ?
N12 C15 1.360(6) . ?
C1 C4 1.363(8) . ?
C1 C2 1.479(7) . ?
C2 C10 1.439(11) . ?
C6 C6 1.521(10) 2_766 ?
C6 C19 1.526(7) . ?
C7 C19 1.514(7) . ?
C10 C17 1.501(9) . ?
C11 C20 1.500(8) . ?
C11 C14 1.524(7) . ?
C13 C17 1.488(8) . ?
C14 C14 1.512(11) 2_947 ?
