#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:45:27 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180447 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/16/7211650.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_7211650
loop_
_publ_author_name
'Zang, Hong-Ying'
'Lan, Ya-Qian'
'Yang, Guang-Sheng'
'Wang, Xin-Long'
'Shao, Kui-Zhan'
'Xu, Guang-Juan'
'Su, Zhong-Min'
_publ_section_title
;
 Construction and property investigation of transition-metal complexes
 modified octamolybdate hybrid materials based on V-shaped organic ligands
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              434
_journal_paper_doi               10.1039/b911881k
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         'C18 H18 Cu Mo4 N6 O13'
_chemical_formula_sum            'C18 H18 Cu Mo4 N6 O13'
_chemical_formula_weight         973.68
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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
_cell_angle_beta                 92.2640(24)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.3881(17)
_cell_length_b                   15.8284(21)
_cell_length_c                   14.1052(19)
_cell_measurement_reflns_used    'total reflection'
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.07
_cell_measurement_theta_min      1.33
_cell_volume                     2763.6(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_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 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area-detector'
_diffrn_measurement_method       'φ and ω 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  0.0518
_diffrn_reflns_av_sigmaI/netI    0.0496
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13357
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         1.93
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.596
_exptl_absorpt_correction_T_max  0.470
_exptl_absorpt_correction_T_min  0.359
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1876
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.980
_refine_diff_density_min         -0.748
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4868
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0374
_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)+(0.0405P)²+5.5729P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0880
_refine_ls_wR_factor_ref         0.0947
_reflns_number_gt                3913
_reflns_number_total             4868
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b911881k.txt
_cod_data_source_block           2
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2763.5(17)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7211650
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Cu1 Cu 0.76183(6) 0.14820(4) 0.80851(5) 0.03300(19) Uani 1 1 d .
Mo1 Mo 0.45793(4) 0.20204(3) 0.47913(4) 0.03011(14) Uani 1 1 d .
Mo2 Mo 0.57736(4) 0.00947(3) 0.61406(4) 0.02801(14) Uani 1 1 d .
Mo3 Mo 0.66758(4) 0.11108(3) 0.38114(4) 0.03635(15) Uani 1 1 d .
Mo4 Mo 0.26488(4) 0.10535(3) 0.62197(4) 0.03927(16) Uani 1 1 d .
C1 C 0.6315(5) 0.2995(3) 0.8493(4) 0.0328(13) Uani 1 1 d .
H1 H 0.6930 0.3306 0.8661 0.039 Uiso 1 1 calc R
C2 C 0.5256(5) 0.2001(4) 0.8008(4) 0.0392(15) Uani 1 1 d .
H2 H 0.5009 0.1482 0.7778 0.047 Uiso 1 1 calc R
C3 C 0.4620(5) 0.2666(4) 0.8210(5) 0.0428(15) Uani 1 1 d .
H3 H 0.3871 0.2694 0.8148 0.051 Uiso 1 1 calc R
C4 C 0.5027(5) 0.4172(3) 0.8746(4) 0.0381(14) Uani 1 1 d .
H4A H 0.5515 0.4386 0.9245 0.046 Uiso 1 1 calc R
H4B H 0.4298 0.4194 0.8970 0.046 Uiso 1 1 calc R
C5 C 0.5105(5) 0.4710(4) 0.7876(5) 0.0364(14) Uani 1 1 d .
C6 C 0.4353(5) 0.4635(4) 0.7110(5) 0.0505(18) Uani 1 1 d .
H6 H 0.3756 0.4283 0.7152 0.061 Uiso 1 1 calc R
C7 C 0.4511(6) 0.5083(4) 0.6310(5) 0.0544(19) Uani 1 1 d .
H7 H 0.4036 0.5022 0.5787 0.065 Uiso 1 1 calc R
C8 C 0.5366(5) 0.5625(4) 0.6268(5) 0.0462(16) Uani 1 1 d .
H8 H 0.5453 0.5941 0.5720 0.055 Uiso 1 1 calc R
C9 C 0.5934(5) 0.5260(3) 0.7791(5) 0.0344(14) Uani 1 1 d .
H9 H 0.6420 0.5326 0.8304 0.041 Uiso 1 1 calc R
C10 C 0.7677(5) 0.2639(4) 0.6438(4) 0.0380(15) Uani 1 1 d .
H10 H 0.6926 0.2650 0.6406 0.046 Uiso 1 1 calc R
C11 C 0.9311(6) 0.2333(4) 0.6919(6) 0.0556(19) Uani 1 1 d .
H11 H 0.9901 0.2115 0.7266 0.067 Uiso 1 1 calc R
C12 C 0.9338(6) 0.2854(6) 0.6093(7) 0.079(3) Uani 1 1 d .
H12 H 0.9952 0.3032 0.5792 0.095 Uiso 1 1 calc R
C13 C 0.7874(6) 0.3510(4) 0.4989(4) 0.0413(15) Uani 1 1 d .
H13A H 0.7104 0.3410 0.4906 0.050 Uiso 1 1 calc R
H13B H 0.8217 0.3291 0.4434 0.050 Uiso 1 1 calc R
C14 C 0.8068(5) 0.4447(4) 0.5048(4) 0.0384(15) Uani 1 1 d .
C15 C 0.8403(7) 0.4873(5) 0.4265(6) 0.066(2) Uani 1 1 d .
H15 H 0.8554 0.4571 0.3721 0.080 Uiso 1 1 calc R
C16 C 0.8513(7) 0.5704(5) 0.4269(6) 0.070(2) Uani 1 1 d .
H16 H 0.8799 0.5989 0.3760 0.084 Uiso 1 1 calc R
C17 C 0.8199(6) 0.6113(5) 0.5028(5) 0.0569(19) Uani 1 1 d .
H17 H 0.8188 0.6700 0.5001 0.068 Uiso 1 1 calc R
C18 C 0.7838(5) 0.4900(4) 0.5829(5) 0.0392(15) Uani 1 1 d .
H18 H 0.7635 0.4620 0.6374 0.047 Uiso 1 1 calc R
O1 O 0.7509(3) 0.1709(3) 0.4519(4) 0.0517(12) Uani 1 1 d .
O2 O 0.7139(4) 0.1262(3) 0.2722(4) 0.0556(13) Uani 1 1 d .
O3 O 0.5414(3) 0.1803(2) 0.3730(3) 0.0383(10) Uani 1 1 d .
O4 O 0.5629(3) 0.0806(2) 0.5123(3) 0.0359(10) Uani 1 1 d .
O5 O 0.6391(3) -0.0858(2) 0.5823(3) 0.0354(9) Uani 1 1 d .
O6 O 0.6620(3) 0.0577(3) 0.6970(3) 0.0432(11) Uani 1 1 d .
O7 O 0.4529(3) -0.0098(2) 0.6675(3) 0.0404(10) Uani 1 1 d .
O8 O 0.5410(3) 0.2719(3) 0.5368(3) 0.0446(11) Uani 1 1 d .
O9 O 0.3888(3) 0.1611(2) 0.5919(3) 0.0380(10) Uani 1 1 d .
O10 O 0.3588(3) 0.2638(2) 0.4292(3) 0.0379(10) Uani 1 1 d .
O11 O 0.2560(3) -0.0056(3) 0.5849(4) 0.0479(12) Uani 1 1 d .
O12 O 0.2520(4) 0.1130(3) 0.7402(4) 0.0644(14) Uani 1 1 d .
O13 O 0.1580(4) 0.1562(3) 0.5679(4) 0.0629(14) Uani 1 1 d .
N1 N 0.6088(4) 0.5714(3) 0.7004(4) 0.0389(12) Uani 1 1 d .
N2 N 0.5312(4) 0.3290(3) 0.8524(3) 0.0314(11) Uani 1 1 d .
N3 N 0.6325(4) 0.2208(3) 0.8195(3) 0.0320(11) Uani 1 1 d .
N4 N 0.7897(4) 0.5751(3) 0.5830(3) 0.0342(11) Uani 1 1 d .
N5 N 0.8282(4) 0.3042(3) 0.5825(4) 0.0413(13) Uani 1 1 d .
N6 N 0.8247(4) 0.2221(3) 0.7096(4) 0.0361(12) 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'
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'
N N 0.0061 0.0033 '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
N3 Cu1 N6 93.1(2) . .
N3 Cu1 N1 178.2(2) . 2_646
N6 Cu1 N1 88.7(2) . 2_646
N3 Cu1 N4 89.5(2) . 2_646
N6 Cu1 N4 174.7(2) . 2_646
N1 Cu1 N4 88.8(2) 2_646 2_646
N3 Cu1 O6 89.98(17) . .
N6 Cu1 O6 95.47(18) . .
N1 Cu1 O6 89.41(18) 2_646 .
N4 Cu1 O6 89.14(17) 2_646 .
O8 Mo1 O10 103.8(2) . .
O8 Mo1 O3 99.1(2) . .
O10 Mo1 O3 100.72(19) . .
O8 Mo1 O9 95.9(2) . .
O10 Mo1 O9 101.28(19) . .
O3 Mo1 O9 149.47(16) . .
O8 Mo1 O5 168.85(17) . 3_656
O10 Mo1 O5 86.94(16) . 3_656
O3 Mo1 O5 81.52(16) . 3_656
O9 Mo1 O5 78.80(16) . 3_656
O8 Mo1 O4 96.71(17) . .
O10 Mo1 O4 159.19(16) . .
O3 Mo1 O4 72.15(15) . .
O9 Mo1 O4 79.82(15) . .
O5 Mo1 O4 72.80(14) 3_656 .
O6 Mo2 O5 107.17(19) . .
O6 Mo2 O7 107.8(2) . .
O5 Mo2 O7 110.84(19) . .
O6 Mo2 O4 107.4(2) . .
O5 Mo2 O4 111.08(18) . .
O7 Mo2 O4 112.35(18) . .
O2 Mo3 O1 103.7(2) . .
O2 Mo3 O3 99.9(2) . .
O1 Mo3 O3 101.11(19) . .
O2 Mo3 O11 99.5(2) . 3_656
O1 Mo3 O11 93.1(2) . 3_656
O3 Mo3 O11 152.39(18) . 3_656
O2 Mo3 O7 93.9(2) . 3_656
O1 Mo3 O7 161.2(2) . 3_656
O3 Mo3 O7 82.01(16) . 3_656
O11 Mo3 O7 77.24(16) 3_656 3_656
O2 Mo3 O4 165.68(19) . .
O1 Mo3 O4 89.6(2) . .
O3 Mo3 O4 71.87(15) . .
O11 Mo3 O4 84.83(17) 3_656 .
O7 Mo3 O4 73.59(15) 3_656 .
O12 Mo4 O13 107.8(3) . .
O12 Mo4 O11 110.1(2) . .
O13 Mo4 O11 106.7(2) . .
O12 Mo4 O9 107.9(2) . .
O13 Mo4 O9 108.2(2) . .
O11 Mo4 O9 115.86(19) . .
N3 C1 N2 111.3(5) . .
N3 C1 H1 124.3 . .
N2 C1 H1 124.3 . .
C3 C2 N3 109.7(5) . .
C3 C2 H2 125.1 . .
N3 C2 H2 125.1 . .
C2 C3 N2 105.5(5) . .
C2 C3 H3 127.2 . .
N2 C3 H3 127.2 . .
N2 C4 C5 109.9(5) . .
N2 C4 H4A 109.7 . .
C5 C4 H4A 109.7 . .
N2 C4 H4B 109.7 . .
C5 C4 H4B 109.7 . .
H4A C4 H4B 108.2 . .
C9 C5 C6 117.9(6) . .
C9 C5 C4 120.7(6) . .
C6 C5 C4 121.4(6) . .
C7 C6 C5 119.0(6) . .
C7 C6 H6 120.5 . .
C5 C6 H6 120.5 . .
C6 C7 C8 120.1(6) . .
C6 C7 H7 119.9 . .
C8 C7 H7 119.9 . .
N1 C8 C7 121.6(6) . .
N1 C8 H8 119.2 . .
C7 C8 H8 119.2 . .
N1 C9 C5 123.4(6) . .
N1 C9 H9 118.3 . .
C5 C9 H9 118.3 . .
N6 C10 N5 113.4(6) . .
N6 C10 H10 123.3 . .
N5 C10 H10 123.3 . .
N6 C11 C12 106.2(7) . .
N6 C11 H11 126.9 . .
C12 C11 H11 126.9 . .
N5 C12 C11 107.2(7) . .
N5 C12 H12 126.4 . .
C11 C12 H12 126.4 . .
N5 C13 C14 113.9(5) . .
N5 C13 H13A 108.8 . .
C14 C13 H13A 108.8 . .
N5 C13 H13B 108.8 . .
C14 C13 H13B 108.8 . .
H13A C13 H13B 107.7 . .
C18 C14 C15 118.4(6) . .
C18 C14 C13 121.9(6) . .
C15 C14 C13 119.5(6) . .
C16 C15 C14 121.3(8) . .
C16 C15 H15 119.3 . .
C14 C15 H15 119.3 . .
C17 C16 C15 117.2(8) . .
C17 C16 H16 121.4 . .
C15 C16 H16 121.4 . .
C16 C17 N4 125.2(7) . .
C16 C17 H17 117.4 . .
N4 C17 H17 117.4 . .
N4 C18 C14 121.1(6) . .
N4 C18 H18 119.5 . .
C14 C18 H18 119.5 . .
Mo1 O3 Mo3 122.1(2) . .
Mo2 O4 Mo3 134.7(2) . .
Mo2 O4 Mo1 134.0(2) . .
Mo3 O4 Mo1 89.64(14) . .
Mo2 O5 Mo1 123.10(19) . 3_656
Mo2 O6 Cu1 169.7(2) . .
Mo2 O7 Mo3 124.4(2) . 3_656
Mo4 O9 Mo1 138.4(2) . .
Mo4 O11 Mo3 136.0(3) . 3_656
C9 N1 C8 117.9(5) . .
C9 N1 Cu1 120.9(4) . 2_656
C8 N1 Cu1 121.2(4) . 2_656
C1 N2 C3 108.1(5) . .
C1 N2 C4 124.7(5) . .
C3 N2 C4 126.8(5) . .
C1 N3 C2 105.3(5) . .
C1 N3 Cu1 126.3(4) . .
C2 N3 Cu1 128.4(4) . .
C17 N4 C18 116.4(6) . .
C17 N4 Cu1 119.9(4) . 2_656
C18 N4 Cu1 123.2(4) . 2_656
C10 N5 C12 105.8(6) . .
C10 N5 C13 125.4(5) . .
C12 N5 C13 128.5(7) . .
C10 N6 C11 107.5(6) . .
C10 N6 Cu1 124.8(4) . .
C11 N6 Cu1 127.6(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N3 1.982(5) .
Cu1 N6 2.002(5) .
Cu1 N1 2.019(5) 2_646
Cu1 N4 2.041(5) 2_646
Cu1 O6 2.430(4) .
Mo1 O8 1.696(4) .
Mo1 O10 1.699(4) .
Mo1 O3 1.884(4) .
Mo1 O9 1.946(4) .
Mo1 O5 2.344(4) 3_656
Mo1 O4 2.357(4) .
Mo2 O6 1.718(4) .
Mo2 O5 1.757(4) .
Mo2 O7 1.769(4) .
Mo2 O4 1.827(4) .
Mo3 O2 1.679(5) .
Mo3 O1 1.697(4) .
Mo3 O3 1.909(4) .
Mo3 O11 1.969(4) 3_656
Mo3 O7 2.277(4) 3_656
Mo3 O4 2.352(4) .
Mo4 O12 1.686(5) .
Mo4 O13 1.704(5) .
Mo4 O11 1.834(4) .
Mo4 O9 1.836(4) .
C1 N3 1.315(7) .
C1 N2 1.329(7) .
C1 H1 0.9300 .
C2 C3 1.352(8) .
C2 N3 1.380(7) .
C2 H2 0.9300 .
C3 N2 1.369(7) .
C3 H3 0.9300 .
C4 N2 1.476(7) .
C4 C5 1.500(8) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C9 1.355(8) .
C5 C6 1.403(9) .
C6 C7 1.354(10) .
C6 H6 0.9300 .
C7 C8 1.367(9) .
C7 H7 0.9300 .
C8 N1 1.351(8) .
C8 H8 0.9300 .
C9 N1 1.342(8) .
C9 H9 0.9300 .
C10 N6 1.322(7) .
C10 N5 1.329(8) .
C10 H10 0.9300 .
C11 N6 1.363(8) .
C11 C12 1.428(12) .
C11 H11 0.9300 .
C12 N5 1.379(9) .
C12 H12 0.9300 .
C13 N5 1.465(8) .
C13 C14 1.504(8) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C18 1.354(8) .
C14 C15 1.371(9) .
C15 C16 1.323(10) .
C15 H15 0.9300 .
C16 C17 1.323(10) .
C16 H16 0.9300 .
C17 N4 1.334(8) .
C17 H17 0.9300 .
C18 N4 1.350(7) .
C18 H18 0.9300 .
O5 Mo1 2.344(4) 3_656
O7 Mo3 2.277(4) 3_656
O11 Mo3 1.969(4) 3_656
N1 Cu1 2.019(5) 2_656
N4 Cu1 2.041(5) 2_656
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N3 C2 C3 N2 0.1(7) . .
N2 C4 C5 C9 -106.4(6) . .
N2 C4 C5 C6 70.9(7) . .
C9 C5 C6 C7 2.9(10) . .
C4 C5 C6 C7 -174.5(6) . .
C5 C6 C7 C8 -2.7(11) . .
C6 C7 C8 N1 1.8(11) . .
C6 C5 C9 N1 -2.2(9) . .
C4 C5 C9 N1 175.2(5) . .
N6 C11 C12 N5 1.1(8) . .
N5 C13 C14 C18 -47.6(9) . .
N5 C13 C14 C15 138.0(7) . .
C18 C14 C15 C16 0.9(12) . .
C13 C14 C15 C16 175.5(8) . .
C14 C15 C16 C17 -5.7(13) . .
C15 C16 C17 N4 8.1(13) . .
C15 C14 C18 N4 2.3(10) . .
C13 C14 C18 N4 -172.2(6) . .
O8 Mo1 O3 Mo3 74.9(3) . .
O10 Mo1 O3 Mo3 -179.1(2) . .
O9 Mo1 O3 Mo3 -43.6(5) . .
O5 Mo1 O3 Mo3 -93.9(2) 3_656 .
O4 Mo1 O3 Mo3 -19.3(2) . .
O2 Mo3 O3 Mo1 -172.7(3) . .
O1 Mo3 O3 Mo1 -66.5(3) . .
O11 Mo3 O3 Mo1 53.2(5) 3_656 .
O7 Mo3 O3 Mo1 94.6(2) 3_656 .
O4 Mo3 O3 Mo1 19.4(2) . .
O6 Mo2 O4 Mo3 81.0(3) . .
O5 Mo2 O4 Mo3 -35.9(3) . .
O7 Mo2 O4 Mo3 -160.7(3) . .
O6 Mo2 O4 Mo1 -80.1(3) . .
O5 Mo2 O4 Mo1 163.0(2) . .
O7 Mo2 O4 Mo1 38.2(3) . .
O2 Mo3 O4 Mo2 123.9(7) . .
O1 Mo3 O4 Mo2 -77.7(3) . .
O3 Mo3 O4 Mo2 -179.5(3) . .
O11 Mo3 O4 Mo2 15.5(3) 3_656 .
O7 Mo3 O4 Mo2 93.7(3) 3_656 .
O2 Mo3 O4 Mo1 -69.6(8) . .
O1 Mo3 O4 Mo1 88.85(18) . .
O3 Mo3 O4 Mo1 -12.97(14) . .
O11 Mo3 O4 Mo1 -177.96(16) 3_656 .
O7 Mo3 O4 Mo1 -99.77(15) 3_656 .
O8 Mo1 O4 Mo2 82.4(3) . .
O10 Mo1 O4 Mo2 -107.5(5) . .
O3 Mo1 O4 Mo2 179.8(3) . .
O9 Mo1 O4 Mo2 -12.5(3) . .
O5 Mo1 O4 Mo2 -93.8(3) 3_656 .
O8 Mo1 O4 Mo3 -84.31(19) . .
O10 Mo1 O4 Mo3 85.9(5) . .
O3 Mo1 O4 Mo3 13.13(15) . .
O9 Mo1 O4 Mo3 -179.14(16) . .
O5 Mo1 O4 Mo3 99.55(15) 3_656 .
O6 Mo2 O5 Mo1 155.6(2) . 3_656
O7 Mo2 O5 Mo1 38.3(3) . 3_656
O4 Mo2 O5 Mo1 -87.3(3) . 3_656
O5 Mo2 O6 Cu1 165.8(14) . .
O7 Mo2 O6 Cu1 -74.9(15) . .
O4 Mo2 O6 Cu1 46.4(15) . .
N3 Cu1 O6 Mo2 24.6(14) . .
N6 Cu1 O6 Mo2 -68.5(14) . .
N1 Cu1 O6 Mo2 -157.1(14) 2_646 .
N4 Cu1 O6 Mo2 114.1(14) 2_646 .
O6 Mo2 O7 Mo3 -156.4(2) . 3_656
O5 Mo2 O7 Mo3 -39.4(3) . 3_656
O4 Mo2 O7 Mo3 85.5(3) . 3_656
O12 Mo4 O9 Mo1 -167.4(3) . .
O13 Mo4 O9 Mo1 -51.0(4) . .
O11 Mo4 O9 Mo1 68.7(4) . .
O8 Mo1 O9 Mo4 160.6(3) . .
O10 Mo1 O9 Mo4 55.2(3) . .
O3 Mo1 O9 Mo4 -80.1(5) . .
O5 Mo1 O9 Mo4 -29.3(3) 3_656 .
O4 Mo1 O9 Mo4 -103.6(3) . .
O12 Mo4 O11 Mo3 -56.2(4) . 3_656
O13 Mo4 O11 Mo3 -172.9(4) . 3_656
O9 Mo4 O11 Mo3 66.6(4) . 3_656
C5 C9 N1 C8 1.2(9) . .
C5 C9 N1 Cu1 -177.3(5) . 2_656
C7 C8 N1 C9 -1.0(10) . .
C7 C8 N1 Cu1 177.5(5) . 2_656
N3 C1 N2 C3 -1.3(7) . .
N3 C1 N2 C4 -174.3(5) . .
C2 C3 N2 C1 0.7(7) . .
C2 C3 N2 C4 173.6(5) . .
C5 C4 N2 C1 81.7(7) . .
C5 C4 N2 C3 -90.0(7) . .
N2 C1 N3 C2 1.3(7) . .
N2 C1 N3 Cu1 -177.1(4) . .
C3 C2 N3 C1 -0.8(7) . .
C3 C2 N3 Cu1 177.5(4) . .
N6 Cu1 N3 C1 -63.9(5) . .
N1 Cu1 N3 C1 130(6) 2_646 .
N4 Cu1 N3 C1 111.5(5) 2_646 .
O6 Cu1 N3 C1 -159.4(5) . .
N6 Cu1 N3 C2 118.1(5) . .
N1 Cu1 N3 C2 -47(7) 2_646 .
N4 Cu1 N3 C2 -66.5(5) 2_646 .
O6 Cu1 N3 C2 22.6(5) . .
C16 C17 N4 C18 -5.1(11) . .
C16 C17 N4 Cu1 -177.7(7) . 2_656
C14 C18 N4 C17 -0.4(9) . .
C14 C18 N4 Cu1 172.0(5) . 2_656
N6 C10 N5 C12 1.5(7) . .
N6 C10 N5 C13 175.9(5) . .
C11 C12 N5 C10 -1.6(8) . .
C11 C12 N5 C13 -175.7(6) . .
C14 C13 N5 C10 113.4(7) . .
C14 C13 N5 C12 -73.6(9) . .
N5 C10 N6 C11 -0.8(7) . .
N5 C10 N6 Cu1 -175.9(4) . .
C12 C11 N6 C10 -0.2(8) . .
C12 C11 N6 Cu1 174.6(5) . .
N3 Cu1 N6 C10 -34.4(5) . .
N1 Cu1 N6 C10 145.2(5) 2_646 .
N4 Cu1 N6 C10 -153.9(19) 2_646 .
O6 Cu1 N6 C10 55.9(5) . .
N3 Cu1 N6 C11 151.6(6) . .
N1 Cu1 N6 C11 -28.8(6) 2_646 .
N4 Cu1 N6 C11 32(2) 2_646 .
O6 Cu1 N6 C11 -118.1(6) . .
