#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:08:33 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180467 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/36/7213678.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_7213678
loop_
_publ_author_name
'Li, Shaobin'
'Ma, Huiyuan'
'Pang, Haijun'
'Zhang, Zhuanfang'
'Yu, Yan'
'Liu, Heng'
'Yu, Tingting'
_publ_section_title
;
 Tuning the dimension of POM-based inorganic--organic hybrids from 3D
 self-penetrating framework to 1D poly-pendant chain via changing POM
 clusters and introducing secondary spacers
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              2045
_journal_paper_doi               10.1039/c3ce42064g
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C30 H22 Cu5 Mo8 N36 O28'
_chemical_formula_sum            'C30 H22 Cu5 Mo8 N36 O28'
_chemical_formula_weight         2420.08
_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                70.921(1)
_cell_angle_beta                 86.690(1)
_cell_angle_gamma                89.694(1)
_cell_formula_units_Z            1
_cell_length_a                   11.0152(5)
_cell_length_b                   11.7744(5)
_cell_length_c                   12.4173(6)
_cell_measurement_reflns_used    8611
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.38
_cell_measurement_theta_min      2.46
_cell_volume                     1519.33(12)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_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  0.0128
_diffrn_reflns_av_sigmaI/netI    0.0179
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10394
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.59
_exptl_absorpt_coefficient_mu    3.414
_exptl_absorpt_correction_T_max  0.541
_exptl_absorpt_correction_T_min  0.458
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_density_diffrn    2.641
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1155.0
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.597
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         5248
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0216
_refine_ls_R_factor_gt           0.0198
_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)+(0.0258P)²+2.8386P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0525
_refine_ls_wR_factor_ref         0.0538
_reflns_number_gt                4922
_reflns_number_total             5503
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42064g.txt
_cod_data_source_block           compound1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               7213678
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
Mo5 Mo 1.20276(2) 0.24232(2) 0.33736(2) 0.01951(7) Uani 1 1 d .
Mo2 Mo 1.14771(2) -0.05934(2) 0.48083(2) 0.01767(7) Uani 1 1 d .
Mo3 Mo 1.02905(2) -0.12346(2) 0.73617(2) 0.01927(7) Uani 1 1 d .
Mo4 Mo 0.91894(2) -0.17615(2) 0.40139(2) 0.02078(7) Uani 1 1 d .
Cu2 Cu 0.5000 0.5000 0.5000 0.02699(13) Uani 1 2 d S
Cu4 Cu 1.0000 0.0000 1.0000 0.02562(13) Uani 1 2 d S
Cu3 Cu 0.5000 1.0000 0.5000 0.02661(13) Uani 1 2 d S
Cu1 Cu 1.01723(3) 0.47526(3) 0.17074(3) 0.02283(9) Uani 1 1 d .
O13 O 1.11878(19) 0.37423(19) 0.29581(18) 0.0252(5) Uani 1 1 d .
O1 O 1.0988(2) -0.2591(2) 0.7681(2) 0.0305(5) Uani 1 1 d .
O3 O 0.9979(2) -0.3059(2) 0.4316(2) 0.0348(6) Uani 1 1 d .
O10 O 1.13677(19) 0.17406(19) 0.23349(17) 0.0239(5) Uani 1 1 d .
O5 O 1.06095(18) -0.06361(19) 0.35037(17) 0.0208(4) Uani 1 1 d .
O9 O 1.26179(19) 0.04684(19) 0.40805(18) 0.0243(5) Uani 1 1 d .
O6 O 1.15033(18) -0.02187(19) 0.62289(17) 0.0204(4) Uani 1 1 d .
O2 O 1.2178(2) -0.1929(2) 0.5177(2) 0.0293(5) Uani 1 1 d .
O11 O 1.3453(2) 0.2836(2) 0.2812(2) 0.0305(5) Uani 1 1 d .
O12 O 1.21889(19) 0.22555(19) 0.49249(18) 0.0237(5) Uani 1 1 d .
O7 O 1.0534(2) -0.0733(2) 0.84710(18) 0.0280(5) Uani 1 1 d .
O8 O 0.97059(18) -0.11974(18) 0.55980(17) 0.0200(4) Uani 1 1 d .
O4 O 0.8539(2) -0.1652(2) 0.27852(19) 0.0322(5) Uani 1 1 d .
N8 N 0.8734(2) 0.4856(2) 0.2778(2) 0.0226(6) Uani 1 1 d .
N7 N 0.8818(2) 0.5129(2) 0.0596(2) 0.0224(6) Uani 1 1 d .
N4 N 0.5151(2) 0.6749(2) 0.4546(2) 0.0264(6) Uani 1 1 d .
N13 N 1.1396(2) 0.4715(2) 0.0490(2) 0.0264(6) Uani 1 1 d .
N3 N 0.5738(2) 1.0611(2) 0.3361(2) 0.0230(6) Uani 1 1 d .
N2 N 0.9584(2) 0.1618(2) 0.9071(2) 0.0271(6) Uani 1 1 d .
N20 N 0.8281(2) -0.0341(2) 0.9571(2) 0.0262(6) Uani 1 1 d .
N6 N 0.5110(2) 0.8472(2) 0.4720(2) 0.0232(6) Uani 1 1 d .
N16 N 0.4834(2) 0.7326(2) 0.5262(2) 0.0258(6) Uani 1 1 d .
N9 N 1.0036(3) 0.2713(3) 0.8843(3) 0.0327(7) Uani 1 1 d .
C2 C 0.7647(3) 0.5031(3) 0.2307(3) 0.0230(7) Uani 1 1 d .
N11 N 0.9206(3) 0.3474(3) 0.8306(3) 0.0349(7) Uani 1 1 d .
N22 N 1.3151(3) 0.4679(3) -0.0373(2) 0.0381(8) Uani 1 1 d .
N10 N 0.8209(3) 0.2885(3) 0.8180(3) 0.0372(7) Uani 1 1 d .
N21 N 1.2579(3) 0.4609(3) 0.0631(2) 0.0385(8) Uani 1 1 d .
C10 C 0.5605(3) 0.8547(3) 0.3682(3) 0.0211(6) Uani 1 1 d .
N17 N 0.5643(2) 0.7481(2) 0.3540(2) 0.0267(6) Uani 1 1 d .
C1 C 0.7725(3) 0.5164(3) 0.1098(3) 0.0240(7) Uani 1 1 d .
C12 C 0.5979(3) 0.9731(3) 0.2917(3) 0.0218(6) Uani 1 1 d .
C11 C 0.5994(3) 1.1734(3) 0.2692(3) 0.0286(7) Uani 1 1 d .
H11 H 0.5850 1.2369 0.2970 0.034 Uiso 1 1 calc R
C15 C 0.8472(3) 0.1736(3) 0.8665(3) 0.0283(7) Uani 1 1 d .
N18 N 0.6741(3) 1.1097(3) 0.1141(2) 0.0342(7) Uani 1 1 d .
C13 C 0.6497(3) 0.9984(3) 0.1817(3) 0.0279(7) Uani 1 1 d .
H13 H 0.6679 0.9350 0.1546 0.033 Uiso 1 1 calc R
C16 C 0.7772(3) 0.0639(3) 0.8863(3) 0.0301(7) Uani 1 1 d .
C14 C 0.6474(3) 1.1959(3) 0.1586(3) 0.0330(8) Uani 1 1 d .
H14 H 0.6618 1.2753 0.1132 0.040 Uiso 1 1 calc R
C18 C 0.7704(3) -0.1385(3) 0.9797(3) 0.0317(8) Uani 1 1 d .
H18 H 0.8040 -0.2079 1.0279 0.038 Uiso 1 1 calc R
N19 N 0.6107(3) -0.0509(3) 0.8617(4) 0.0542(10) Uani 1 1 d .
C19 C 0.6617(3) -0.1462(4) 0.9332(4) 0.0418(9) Uani 1 1 d .
H19 H 0.6226 -0.2206 0.9525 0.050 Uiso 1 1 calc R
C17 C 0.6690(4) 0.0535(4) 0.8387(4) 0.0484(11) Uani 1 1 d .
H17 H 0.6359 0.1222 0.7889 0.058 Uiso 1 1 calc R
C30 C 0.8751(3) 0.4765(3) 0.3865(3) 0.0292(7) Uani 1 1 d .
H30 H 0.9489 0.4670 0.4209 0.035 Uiso 1 1 calc R
N1 N 0.6609(2) 0.4963(2) 0.4050(2) 0.0263(6) Uani 1 1 d .
C33 C 0.7681(3) 0.4807(3) 0.4506(3) 0.0310(8) Uani 1 1 d .
H33 H 0.7720 0.4724 0.5274 0.037 Uiso 1 1 calc R
C31 C 0.6591(3) 0.5091(3) 0.2934(3) 0.0280(7) Uani 1 1 d .
H31 H 0.5856 0.5221 0.2582 0.034 Uiso 1 1 calc R
O1W O 0.6250(3) 0.4721(3) 0.6831(3) 0.0573(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'
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
O11 Mo5 O13 105.18(11) . .
O11 Mo5 O12 101.65(10) . .
O13 Mo5 O12 99.76(10) . .
O11 Mo5 O10 103.49(11) . .
O13 Mo5 O10 95.89(10) . .
O12 Mo5 O10 145.62(9) . .
O11 Mo5 O9 90.16(9) . .
O13 Mo5 O9 164.49(9) . .
O12 Mo5 O9 78.87(9) . .
O10 Mo5 O9 77.99(9) . .
O11 Mo5 O8 161.27(9) . 2_756
O13 Mo5 O8 93.55(8) . 2_756
O12 Mo5 O8 74.64(8) . 2_756
O10 Mo5 O8 73.99(8) . 2_756
O9 Mo5 O8 71.12(7) . 2_756
O2 Mo2 O9 105.06(11) . .
O2 Mo2 O5 101.70(10) . .
O9 Mo2 O5 98.76(9) . .
O2 Mo2 O6 100.94(10) . .
O9 Mo2 O6 94.77(9) . .
O5 Mo2 O6 149.51(8) . .
O2 Mo2 O8 98.64(10) . .
O9 Mo2 O8 156.13(9) . .
O5 Mo2 O8 78.88(8) . .
O6 Mo2 O8 77.77(8) . .
O2 Mo2 O8 173.91(9) . 2_756
O9 Mo2 O8 80.98(8) . 2_756
O5 Mo2 O8 77.76(8) . 2_756
O6 Mo2 O8 77.56(8) . 2_756
O8 Mo2 O8 75.29(8) . 2_756
O2 Mo2 Mo3 89.99(8) . .
O9 Mo2 Mo3 130.18(7) . .
O5 Mo2 Mo3 124.72(6) . .
O6 Mo2 Mo3 35.41(6) . .
O8 Mo2 Mo3 45.87(5) . .
O8 Mo2 Mo3 85.44(5) 2_756 .
O7 Mo3 O1 105.32(11) . .
O7 Mo3 O10 101.83(10) . 2_756
O1 Mo3 O10 100.47(10) . 2_756
O7 Mo3 O6 98.84(10) . .
O1 Mo3 O6 100.10(10) . .
O10 Mo3 O6 145.67(9) 2_756 .
O7 Mo3 O8 158.70(9) . .
O1 Mo3 O8 95.71(10) . .
O10 Mo3 O8 77.14(8) 2_756 .
O6 Mo3 O8 73.71(8) . .
O7 Mo3 O5 86.50(9) . 2_756
O1 Mo3 O5 167.11(9) . 2_756
O10 Mo3 O5 81.68(8) 2_756 2_756
O6 Mo3 O5 72.51(8) . 2_756
O8 Mo3 O5 72.25(7) . 2_756
O7 Mo3 Mo2 133.87(8) . .
O1 Mo3 Mo2 88.16(8) . .
O10 Mo3 Mo2 119.11(6) 2_756 .
O6 Mo3 Mo2 35.03(6) . .
O8 Mo3 Mo2 41.97(5) . .
O5 Mo3 Mo2 79.80(5) 2_756 .
O4 Mo4 O3 104.11(12) . .
O4 Mo4 O12 100.21(10) . 2_756
O3 Mo4 O12 101.10(11) . 2_756
O4 Mo4 O5 103.52(10) . .
O3 Mo4 O5 97.26(10) . .
O12 Mo4 O5 145.31(9) 2_756 .
O4 Mo4 O8 157.67(10) . .
O3 Mo4 O8 98.21(10) . .
O12 Mo4 O8 75.72(8) 2_756 .
O5 Mo4 O8 72.68(8) . .
O4 Mo4 O6 87.13(10) . 2_756
O3 Mo4 O6 166.03(10) . 2_756
O12 Mo4 O6 84.72(8) 2_756 2_756
O5 Mo4 O6 71.68(8) . 2_756
O8 Mo4 O6 70.71(7) . 2_756
N4 Cu2 N4 180.0 . 2_666
N4 Cu2 N1 89.50(10) . .
N4 Cu2 N1 90.50(10) 2_666 .
N4 Cu2 N1 90.50(10) . 2_666
N4 Cu2 N1 89.50(10) 2_666 2_666
N1 Cu2 N1 180.000(1) . 2_666
N2 Cu4 N2 180.000(1) . 2_757
N2 Cu4 N20 80.62(11) . .
N2 Cu4 N20 99.38(11) 2_757 .
N2 Cu4 N20 99.38(11) . 2_757
N2 Cu4 N20 80.62(11) 2_757 2_757
N20 Cu4 N20 180.000(1) . 2_757
N2 Cu4 O7 96.97(10) . .
N2 Cu4 O7 83.03(10) 2_757 .
N20 Cu4 O7 80.14(9) . .
N20 Cu4 O7 99.86(9) 2_757 .
N2 Cu4 O7 83.03(10) . 2_757
N2 Cu4 O7 96.97(10) 2_757 2_757
N20 Cu4 O7 99.86(9) . 2_757
N20 Cu4 O7 80.14(9) 2_757 2_757
O7 Cu4 O7 180.00(5) . 2_757
N6 Cu3 N6 180.00(14) 2_676 .
N6 Cu3 N3 98.53(11) 2_676 .
N6 Cu3 N3 81.47(11) . .
N6 Cu3 N3 81.47(11) 2_676 2_676
N6 Cu3 N3 98.53(11) . 2_676
N3 Cu3 N3 180.000(1) . 2_676
N13 Cu1 O13 92.99(10) . .
N13 Cu1 N8 171.58(11) . .
O13 Cu1 N8 94.92(10) . .
N13 Cu1 N7 91.65(10) . .
O13 Cu1 N7 157.29(10) . .
N8 Cu1 N7 79.94(10) . .
N13 Cu1 N11 92.93(12) . 2_766
O13 Cu1 N11 97.92(10) . 2_766
N8 Cu1 N11 88.82(11) . 2_766
N7 Cu1 N11 104.03(11) . 2_766
Mo5 O13 Cu1 142.63(13) . .
Mo3 O10 Mo5 116.25(11) 2_756 .
Mo2 O5 Mo4 110.36(10) . .
Mo2 O5 Mo3 110.08(9) . 2_756
Mo4 O5 Mo3 103.29(8) . 2_756
Mo2 O9 Mo5 116.50(10) . .
Mo2 O6 Mo3 109.55(10) . .
Mo2 O6 Mo4 111.39(9) . 2_756
Mo3 O6 Mo4 102.98(8) . 2_756
Mo5 O12 Mo4 119.47(11) . 2_756
Mo3 O7 Cu4 156.59(13) . .
Mo2 O8 Mo3 92.16(7) . .
Mo2 O8 Mo4 91.08(7) . .
Mo3 O8 Mo4 163.49(10) . .
Mo2 O8 Mo2 104.71(8) . 2_756
Mo3 O8 Mo2 97.23(8) . 2_756
Mo4 O8 Mo2 97.58(7) . 2_756
Mo2 O8 Mo5 163.98(10) . 2_756
Mo3 O8 Mo5 86.10(7) . 2_756
Mo4 O8 Mo5 86.32(7) . 2_756
Mo2 O8 Mo5 91.31(7) 2_756 2_756
C30 N8 C2 117.2(3) . .
C30 N8 Cu1 127.6(2) . .
C2 N8 Cu1 115.2(2) . .
C1 N7 N13 104.6(3) . 2_765
C1 N7 Cu1 113.1(2) . .
N13 N7 Cu1 142.1(2) 2_765 .
N16 N4 N17 112.8(2) . .
N16 N4 Cu2 121.1(2) . .
N17 N4 Cu2 125.9(2) . .
N21 N13 N7 109.9(2) . 2_765
N21 N13 Cu1 123.7(2) . .
N7 N13 Cu1 126.2(2) 2_765 .
C11 N3 C12 117.1(3) . .
C11 N3 Cu3 129.4(2) . .
C12 N3 Cu3 113.4(2) . .
N9 N2 C15 106.9(3) . .
N9 N2 Cu4 136.7(2) . .
C15 N2 Cu4 115.5(2) . .
C18 N20 C16 117.6(3) . .
C18 N20 Cu4 129.0(2) . .
C16 N20 Cu4 112.9(2) . .
N16 N6 C10 107.1(2) . .
N16 N6 Cu3 138.5(2) . .
C10 N6 Cu3 114.3(2) . .
N4 N16 N6 106.1(2) . .
N2 N9 N11 107.2(3) . .
N8 C2 C31 121.7(3) . .
N8 C2 C1 113.3(3) . .
C31 C2 C1 125.0(3) . .
N9 N11 N10 111.1(3) . .
N9 N11 Cu1 105.2(2) . 2_766
N10 N11 Cu1 141.8(2) . 2_766
C1 N22 N21 105.1(3) 2_765 .
C15 N10 N11 103.8(3) . .
N13 N21 N22 108.4(3) . .
N17 C10 N6 111.4(3) . .
N17 C10 C12 131.1(3) . .
N6 C10 C12 117.4(3) . .
C10 N17 N4 102.5(2) . .
N22 C1 N7 111.9(3) 2_765 .
N22 C1 C2 129.8(3) 2_765 .
N7 C1 C2 118.2(3) . .
N3 C12 C13 121.1(3) . .
N3 C12 C10 113.2(3) . .
C13 C12 C10 125.6(3) . .
N3 C11 C14 120.3(3) . .
N10 C15 N2 111.0(3) . .
N10 C15 C16 132.1(3) . .
N2 C15 C16 116.8(3) . .
C13 N18 C14 115.8(3) . .
N18 C13 C12 122.2(3) . .
N20 C16 C17 120.1(3) . .
N20 C16 C15 113.6(3) . .
C17 C16 C15 126.3(3) . .
N18 C14 C11 123.4(3) . .
N20 C18 C19 121.2(3) . .
C19 N19 C17 116.5(3) . .
N19 C19 C18 122.2(4) . .
N19 C17 C16 122.4(4) . .
N8 C30 C33 121.2(3) . .
C33 N1 C31 117.4(3) . .
C33 N1 Cu2 122.2(2) . .
C31 N1 Cu2 120.4(2) . .
N1 C33 C30 121.7(3) . .
N1 C31 C2 120.8(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo5 O11 1.687(2) .
Mo5 O13 1.746(2) .
Mo5 O12 1.890(2) .
Mo5 O10 1.905(2) .
Mo5 O9 2.285(2) .
Mo5 O8 2.430(2) 2_756
Mo2 O2 1.684(2) .
Mo2 O9 1.762(2) .
Mo2 O5 1.942(2) .
Mo2 O6 1.955(2) .
Mo2 O8 2.148(2) .
Mo2 O8 2.398(2) 2_756
Mo2 Mo3 3.2092(4) .
Mo3 O7 1.701(2) .
Mo3 O1 1.705(2) .
Mo3 O10 1.902(2) 2_756
Mo3 O6 1.973(2) .
Mo3 O8 2.305(2) .
Mo3 O5 2.354(2) 2_756
Mo4 O4 1.689(2) .
Mo4 O3 1.697(2) .
Mo4 O12 1.912(2) 2_756
Mo4 O5 1.991(2) .
Mo4 O8 2.371(2) .
Mo4 O6 2.379(2) 2_756
Cu2 N4 1.955(3) .
Cu2 N4 1.955(3) 2_666
Cu2 N1 2.080(3) .
Cu2 N1 2.080(3) 2_666
Cu4 N2 1.945(3) .
Cu4 N2 1.945(3) 2_757
Cu4 N20 2.072(3) .
Cu4 N20 2.072(3) 2_757
Cu4 O7 2.373(2) .
Cu4 O7 2.373(2) 2_757
Cu3 N6 1.943(3) 2_676
Cu3 N6 1.943(3) .
Cu3 N3 2.044(3) .
Cu3 N3 2.044(3) 2_676
Cu1 N13 1.978(3) .
Cu1 O13 2.014(2) .
Cu1 N8 2.038(2) .
Cu1 N7 2.039(3) .
Cu1 N11 2.196(3) 2_766
O10 Mo3 1.902(2) 2_756
O5 Mo3 2.354(2) 2_756
O6 Mo4 2.379(2) 2_756
O12 Mo4 1.912(2) 2_756
O8 Mo2 2.398(2) 2_756
O8 Mo5 2.430(2) 2_756
N8 C30 1.319(4) .
N8 C2 1.349(4) .
N7 C1 1.330(4) .
N7 N13 1.334(4) 2_765
N4 N16 1.315(4) .
N4 N17 1.349(4) .
N13 N21 1.325(4) .
N13 N7 1.334(4) 2_765
N3 C11 1.333(4) .
N3 C12 1.342(4) .
N2 N9 1.320(4) .
N2 C15 1.341(4) .
N20 C18 1.326(4) .
N20 C16 1.344(4) .
N6 N16 1.324(4) .
N6 C10 1.346(4) .
N9 N11 1.324(4) .
C2 C31 1.376(4) .
C2 C1 1.456(4) .
N11 N10 1.345(4) .
N11 Cu1 2.196(3) 2_766
N22 C1 1.329(4) 2_765
N22 N21 1.342(4) .
N10 C15 1.327(4) .
C10 N17 1.323(4) .
C10 C12 1.453(4) .
C1 N22 1.329(4) 2_765
C12 C13 1.388(4) .
C11 C14 1.384(5) .
C15 C16 1.450(5) .
N18 C13 1.325(4) .
N18 C14 1.329(5) .
C16 C17 1.383(5) .
C18 C19 1.375(5) .
N19 C19 1.328(5) .
N19 C17 1.328(5) .
C30 C33 1.394(5) .
N1 C33 1.325(5) .
N1 C31 1.345(4) .
