#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/46/7014639.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_7014639
loop_
_publ_author_name
'Liu, Hai-Yan'
'Wu, Hua'
'Ma, Jian-Fang'
'Liu, Ying-Ying'
'Yang, Jin'
'Ma, Ji-Cheng'
_publ_section_title
;
 Inorganic-organic hybrid compounds based on octamolybdates and
 metal-organic fragments with flexible multidentate ligand: syntheses,
 structures and characterization.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              602
_journal_page_last               613
_journal_paper_doi               10.1039/c0dt01024c
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C36 H50 Cu2 Mo8 N18 O30'
_chemical_formula_sum            'C36 H50 Cu2 Mo8 N18 O30'
_chemical_formula_weight         2109.54
_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                102.700(8)
_cell_angle_beta                 105.272(9)
_cell_angle_gamma                91.721(7)
_cell_formula_units_Z            1
_cell_length_a                   10.9897(10)
_cell_length_b                   11.2381(9)
_cell_length_c                   12.9222(15)
_cell_measurement_reflns_used    5843
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26
_cell_measurement_theta_min      2.8
_cell_volume                     1495.3(3)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_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  0.0471
_diffrn_reflns_av_sigmaI/netI    0.1758
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10117
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         2.79
_exptl_absorpt_coefficient_mu    2.416
_exptl_absorpt_correction_T_max  0.83
_exptl_absorpt_correction_T_min  0.76
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.343
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1026
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.660
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.710
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         5843
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      0.710
_refine_ls_R_factor_all          0.1056
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0252P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0677
_refine_ls_wR_factor_ref         0.0744
_reflns_number_gt                2632
_reflns_number_total             5843
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            C0DT01024C.TXT
_cod_data_source_block           1
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               7014639
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
C1 C -0.2271(7) 0.0898(6) -0.1467(6) 0.0204(19) Uani 1 1 d . . .
H1 H -0.2026 0.0687 -0.2115 0.024 Uiso 1 1 calc R . .
C2 C -0.2347(8) 0.1181(8) 0.0131(7) 0.048(3) Uani 1 1 d U . .
H2 H -0.2125 0.1195 0.0880 0.057 Uiso 1 1 calc R . .
C3 C -0.4337(6) 0.1728(7) -0.2247(6) 0.028(2) Uani 1 1 d . . .
H3A H -0.5117 0.1257 -0.2309 0.033 Uiso 1 1 calc R . .
H3B H -0.4152 0.1508 -0.2955 0.033 Uiso 1 1 calc R . .
C4 C -0.2519(7) 0.3536(7) -0.2475(7) 0.035(2) Uani 1 1 d . . .
H4A H -0.2455 0.2681 -0.2499 0.052 Uiso 1 1 calc R . .
H4B H -0.1803 0.4008 -0.1925 0.052 Uiso 1 1 calc R . .
H4C H -0.2536 0.3682 -0.3183 0.052 Uiso 1 1 calc R . .
C5 C -0.6455(7) 0.2561(7) -0.1388(7) 0.036(2) Uani 1 1 d . . .
H5A H -0.7238 0.2910 -0.1368 0.053 Uiso 1 1 calc R . .
H5B H -0.6075 0.2368 -0.0693 0.053 Uiso 1 1 calc R . .
H5C H -0.6618 0.1827 -0.1968 0.053 Uiso 1 1 calc R . .
C6 C -0.5293(7) 0.6821(7) -0.1659(6) 0.036(2) Uani 1 1 d . . .
H6A H -0.5838 0.6886 -0.2355 0.054 Uiso 1 1 calc R . .
H6B H -0.4518 0.7333 -0.1493 0.054 Uiso 1 1 calc R . .
H6C H -0.5706 0.7079 -0.1090 0.054 Uiso 1 1 calc R . .
C7 C -0.4532(6) 0.3091(6) -0.1992(5) 0.0181(18) Uani 1 1 d . . .
C8 C -0.3725(6) 0.3909(7) -0.2190(5) 0.0190(18) Uani 1 1 d . . .
C9 C -0.3977(6) 0.5129(7) -0.2092(5) 0.0247(19) Uani 1 1 d . . .
C10 C -0.5006(6) 0.5530(7) -0.1720(6) 0.0203(19) Uani 1 1 d . . .
C11 C -0.5778(6) 0.4711(7) -0.1434(5) 0.0220(19) Uani 1 1 d . . .
C12 C -0.5566(6) 0.3470(7) -0.1601(5) 0.0214(18) Uani 1 1 d . . .
C13 C -0.3178(7) 0.5992(7) -0.2449(6) 0.027(2) Uani 1 1 d . . .
H13A H -0.2737 0.5521 -0.2937 0.032 Uiso 1 1 calc R . .
H13B H -0.3723 0.6496 -0.2856 0.032 Uiso 1 1 calc R . .
C14 C -0.1853(7) 0.7926(7) -0.1367(6) 0.0268(19) Uani 1 1 d . . .
H14 H -0.2169 0.8384 -0.1880 0.032 Uiso 1 1 calc R . .
C15 C -0.0860(7) 0.7364(8) 0.0010(6) 0.033(2) Uani 1 1 d . . .
H15 H -0.0310 0.7379 0.0698 0.040 Uiso 1 1 calc R . .
C16 C -0.6816(6) 0.5187(8) -0.0946(5) 0.027(2) Uani 1 1 d . . .
H16A H -0.7020 0.4649 -0.0510 0.033 Uiso 1 1 calc R . .
H16B H -0.6539 0.5996 -0.0466 0.033 Uiso 1 1 calc R . .
C17 C -0.8074(7) 0.5026(7) -0.2904(6) 0.029(2) Uani 1 1 d . . .
H17 H -0.7444 0.4780 -0.3243 0.035 Uiso 1 1 calc R . .
C18 C -0.9750(8) 0.5496(9) -0.2597(8) 0.053(3) Uani 1 1 d . . .
H18 H -1.0598 0.5644 -0.2712 0.063 Uiso 1 1 calc R . .
N1 N -0.9240(6) 0.5204(6) -0.3424(5) 0.0326(17) Uani 1 1 d . . .
N2 N -0.9013(7) 0.5567(7) -0.1614(6) 0.051(2) Uani 1 1 d . . .
N3 N -0.7943(5) 0.5246(5) -0.1845(5) 0.0244(16) Uani 1 1 d . . .
N4 N -0.3295(5) 0.1391(5) -0.1397(5) 0.0218(15) Uani 1 1 d . . .
N5 N -0.3389(6) 0.1601(7) -0.0344(5) 0.044(2) Uani 1 1 d . . .
N6 N -0.1612(6) 0.0728(5) -0.0511(5) 0.0260(16) Uani 1 1 d . . .
N7 N -0.2241(5) 0.6791(6) -0.1484(5) 0.0275(16) Uani 1 1 d . . .
N8 N -0.0956(5) 0.8357(5) -0.0434(5) 0.0235(16) Uani 1 1 d . . .
N9 N -0.1595(6) 0.6381(6) -0.0596(5) 0.0351(18) Uani 1 1 d . . .
O1 O -0.2903(5) -0.1547(5) -0.3675(4) 0.0428(16) Uani 1 1 d . . .
O2 O -0.1360(4) -0.2443(4) -0.6117(4) 0.0266(13) Uani 1 1 d . . .
O3 O -0.0786(5) -0.2593(5) -0.4031(4) 0.0317(15) Uani 1 1 d . . .
O4 O -0.0866(4) -0.0407(5) -0.4505(4) 0.0257(14) Uani 1 1 d . . .
O5 O 0.0014(5) -0.0619(5) -0.2117(4) 0.0349(15) Uani 1 1 d . . .
O6 O -0.0232(5) 0.1863(5) -0.2769(4) 0.0373(16) Uani 1 1 d . . .
O7 O 0.1464(4) 0.0223(4) -0.3353(4) 0.0249(13) Uani 1 1 d . . .
O8 O 0.1724(5) -0.2047(5) -0.2774(4) 0.0332(15) Uani 1 1 d . . .
O9 O 0.1110(4) -0.1684(4) -0.4924(4) 0.0214(13) Uani 1 1 d . . .
O10 O 0.3237(4) 0.1198(5) -0.4236(4) 0.0274(14) Uani 1 1 d . . .
O11 O 0.3051(5) -0.0995(5) -0.5752(4) 0.0435(17) Uani 1 1 d . . .
O12 O 0.3687(5) -0.1013(5) -0.3597(4) 0.0412(16) Uani 1 1 d . . .
O13 O -0.3256(5) -0.3576(5) -0.5326(4) 0.0453(17) Uani 1 1 d . . .
Cu1 Cu -1.0000 0.5000 -0.5000 0.0425(4) Uani 1 2 d S . .
Cu2 Cu 0.0000 0.0000 0.0000 0.0289(4) Uani 1 2 d S . .
Mo1 Mo 0.04976(6) -0.12764(7) -0.32669(6) 0.0256(2) Uani 1 1 d . . .
Mo2 Mo 0.02477(6) 0.13194(6) -0.38878(5) 0.02218(19) Uani 1 1 d . . .
Mo3 Mo -0.24104(7) -0.21755(7) -0.48025(6) 0.0297(2) Uani 1 1 d . . .
Mo4 Mo 0.26347(6) -0.04638(7) -0.45623(6) 0.0273(2) Uani 1 1 d . . .
O1W O -0.8466(6) 0.5865(6) -0.5181(5) 0.0567(19) Uani 1 1 d D . .
O2W O 0.4198(8) -0.3625(8) -0.4604(9) 0.093(3) Uani 1 1 d D . .
H1A H -0.773(6) 0.574(9) -0.479(9) 0.140 Uiso 1 1 d D . .
H1B H -0.845(10) 0.665(3) -0.495(10) 0.140 Uiso 1 1 d D . .
H2A H 0.469(11) -0.398(12) -0.497(10) 0.140 Uiso 1 1 d D . .
H2B H 0.430(14) -0.285(2) -0.448(12) 0.140 Uiso 1 1 d 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
_geom_angle_publ_flag
N4 C1 N6 111.7(7) . . ?
N5 C2 N6 116.8(7) . . ?
N4 C3 C7 113.3(5) . . ?
C8 C7 C12 121.4(7) . . ?
C8 C7 C3 119.4(6) . . ?
C12 C7 C3 119.2(7) . . ?
C7 C8 C9 120.2(7) . . ?
C7 C8 C4 121.6(7) . . ?
C9 C8 C4 118.2(7) . . ?
C8 C9 C10 119.6(7) . . ?
C8 C9 C13 119.9(7) . . ?
C10 C9 C13 120.3(7) . . ?
C9 C10 C11 120.1(7) . . ?
C9 C10 C6 119.1(7) . . ?
C11 C10 C6 120.8(7) . . ?
C12 C11 C10 119.8(7) . . ?
C12 C11 C16 121.1(7) . . ?
C10 C11 C16 119.1(7) . . ?
C11 C12 C7 118.6(7) . . ?
C11 C12 C5 120.3(7) . . ?
C7 C12 C5 121.0(7) . . ?
N7 C13 C9 111.1(6) . . ?
N7 C14 N8 112.2(7) . . ?
N9 C15 N8 115.5(6) . . ?
N3 C16 C11 109.1(5) . . ?
N3 C17 N1 109.7(8) . . ?
N2 C18 N1 116.9(7) . . ?
C18 N1 C17 101.4(7) . . ?
C18 N1 Cu1 129.9(5) . . ?
C17 N1 Cu1 128.7(6) . . ?
C18 N2 N3 100.9(7) . . ?
C17 N3 N2 111.1(6) . . ?
C17 N3 C16 129.0(6) . . ?
N2 N3 C16 119.9(6) . . ?
C1 N4 N5 110.6(6) . . ?
C1 N4 C3 131.3(7) . . ?
N5 N4 C3 118.2(6) . . ?
C2 N5 N4 100.1(7) . . ?
C1 N6 C2 100.8(6) . . ?
C1 N6 Cu2 134.5(6) . . ?
C2 N6 Cu2 124.8(5) . . ?
C14 N7 N9 109.7(6) . . ?
C14 N7 C13 127.2(6) . . ?
N9 N7 C13 123.0(6) . . ?
C14 N8 C15 100.9(6) . . ?
C14 N8 Cu2 125.0(5) . 1_565 ?
C15 N8 Cu2 133.9(5) . 1_565 ?
C15 N9 N7 101.7(6) . . ?
Mo2 O2 Mo3 120.8(2) 2_554 . ?
Mo1 O3 Mo3 117.3(3) . . ?
Mo2 O4 Mo1 92.09(16) . . ?
Mo2 O4 Mo4 92.6(2) . 2_554 ?
Mo1 O4 Mo4 163.6(2) . 2_554 ?
Mo2 O4 Mo2 103.9(2) . 2_554 ?
Mo1 O4 Mo2 98.30(19) . 2_554 ?
Mo4 O4 Mo2 95.85(17) 2_554 2_554 ?
Mo2 O4 Mo3 164.2(2) . . ?
Mo1 O4 Mo3 86.90(18) . . ?
Mo4 O4 Mo3 84.38(14) 2_554 . ?
Mo2 O4 Mo3 91.78(15) 2_554 . ?
Mo2 O7 Mo1 108.0(2) . . ?
Mo2 O7 Mo4 112.1(2) . . ?
Mo1 O7 Mo4 105.5(2) . . ?
Mo2 O9 Mo4 109.7(2) 2_554 . ?
Mo2 O9 Mo1 109.3(2) 2_554 . ?
Mo4 O9 Mo1 102.69(18) . . ?
Mo4 O10 Mo3 118.0(2) . 2_554 ?
N1 Cu1 N1 180.000(1) 2_364 . ?
N1 Cu1 O1W 87.7(3) 2_364 . ?
N1 Cu1 O1W 92.3(3) . . ?
N1 Cu1 O1W 92.3(3) 2_364 2_364 ?
N1 Cu1 O1W 87.7(3) . 2_364 ?
O1W Cu1 O1W 180.000(1) . 2_364 ?
N8 Cu2 N8 180.0(4) 2_565 1_545 ?
N8 Cu2 N6 90.5(2) 2_565 . ?
N8 Cu2 N6 89.5(2) 1_545 . ?
N8 Cu2 N6 89.5(2) 2_565 2 ?
N8 Cu2 N6 90.5(2) 1_545 2 ?
N6 Cu2 N6 180.0(5) . 2 ?
O8 Mo1 O5 104.1(2) . . ?
O8 Mo1 O3 101.1(2) . . ?
O5 Mo1 O3 103.0(2) . . ?
O8 Mo1 O7 99.1(2) . . ?
O5 Mo1 O7 97.4(2) . . ?
O3 Mo1 O7 146.6(2) . . ?
O8 Mo1 O4 158.1(2) . . ?
O5 Mo1 O4 97.4(2) . . ?
O3 Mo1 O4 77.78(19) . . ?
O7 Mo1 O4 73.63(17) . . ?
O8 Mo1 O9 86.0(2) . . ?
O5 Mo1 O9 165.7(2) . . ?
O3 Mo1 O9 84.5(2) . . ?
O7 Mo1 O9 70.76(18) . . ?
O4 Mo1 O9 72.12(17) . . ?
O8 Mo1 Mo2 134.48(19) . . ?
O5 Mo1 Mo2 86.55(19) . . ?
O3 Mo1 Mo2 119.72(15) . . ?
O7 Mo1 Mo2 35.34(13) . . ?
O4 Mo1 Mo2 41.96(12) . . ?
O9 Mo1 Mo2 79.20(12) . . ?
O6 Mo2 O2 104.8(2) . 2_554 ?
O6 Mo2 O7 101.0(2) . . ?
O2 Mo2 O7 95.8(2) 2_554 . ?
O6 Mo2 O9 102.7(2) . 2_554 ?
O2 Mo2 O9 96.0(2) 2_554 2_554 ?
O7 Mo2 O9 149.87(19) . 2_554 ?
O6 Mo2 O4 100.1(2) . . ?
O2 Mo2 O4 155.1(2) 2_554 . ?
O7 Mo2 O4 78.61(19) . . ?
O9 Mo2 O4 79.10(19) 2_554 . ?
O6 Mo2 O4 176.0(2) . 2_554 ?
O2 Mo2 O4 79.1(2) 2_554 2_554 ?
O7 Mo2 O4 77.49(19) . 2_554 ?
O9 Mo2 O4 77.67(18) 2_554 2_554 ?
O4 Mo2 O4 76.1(2) . 2_554 ?
O6 Mo2 Mo1 89.9(2) . . ?
O2 Mo2 Mo1 132.43(16) 2_554 . ?
O7 Mo2 Mo1 36.65(15) . . ?
O9 Mo2 Mo1 125.05(14) 2_554 . ?
O4 Mo2 Mo1 45.95(13) . . ?
O4 Mo2 Mo1 86.72(13) 2_554 . ?
O1 Mo3 O13 104.6(3) . . ?
O1 Mo3 O10 98.7(2) . 2_554 ?
O13 Mo3 O10 104.0(2) . 2_554 ?
O1 Mo3 O3 97.7(2) . . ?
O13 Mo3 O3 102.0(2) . . ?
O10 Mo3 O3 144.4(2) 2_554 . ?
O1 Mo3 O2 161.8(2) . . ?
O13 Mo3 O2 93.7(2) . . ?
O10 Mo3 O2 76.84(19) 2_554 . ?
O3 Mo3 O2 77.8(2) . . ?
O1 Mo3 O4 93.4(2) . . ?
O13 Mo3 O4 161.9(2) . . ?
O10 Mo3 O4 74.48(18) 2_554 . ?
O3 Mo3 O4 73.21(19) . . ?
O2 Mo3 O4 68.33(17) . . ?
O12 Mo4 O11 104.3(3) . . ?
O12 Mo4 O10 102.9(2) . . ?
O11 Mo4 O10 100.2(3) . . ?
O12 Mo4 O9 101.0(2) . . ?
O11 Mo4 O9 96.5(2) . . ?
O10 Mo4 O9 146.3(2) . . ?
O12 Mo4 O7 91.7(2) . . ?
O11 Mo4 O7 161.9(2) . . ?
O10 Mo4 O7 83.86(19) . . ?
O9 Mo4 O7 71.98(18) . . ?
O12 Mo4 O4 163.2(2) . 2_554 ?
O11 Mo4 O4 92.0(2) . 2_554 ?
O10 Mo4 O4 77.61(18) . 2_554 ?
O9 Mo4 O4 72.76(17) . 2_554 ?
O7 Mo4 O4 71.60(16) . 2_554 ?
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
C1 N4 1.285(8) . ?
C1 N6 1.315(9) . ?
C2 N5 1.304(9) . ?
C2 N6 1.338(10) . ?
C3 N4 1.486(8) . ?
C3 C7 1.528(9) . ?
C4 C8 1.513(10) . ?
C5 C12 1.510(11) . ?
C6 C10 1.483(10) . ?
C7 C8 1.369(10) . ?
C7 C12 1.401(9) . ?
C8 C9 1.392(10) . ?
C9 C10 1.392(10) . ?
C9 C13 1.511(11) . ?
C10 C11 1.404(11) . ?
C11 C12 1.400(10) . ?
C11 C16 1.500(9) . ?
C13 N7 1.482(8) . ?
C14 N7 1.296(9) . ?
C14 N8 1.323(8) . ?
C15 N9 1.311(9) . ?
C15 N8 1.358(9) . ?
C16 N3 1.473(8) . ?
C17 N3 1.304(9) . ?
C17 N1 1.324(8) . ?
C18 N2 1.299(10) . ?
C18 N1 1.318(11) . ?
N1 Cu1 1.945(6) . ?
N2 N3 1.329(8) . ?
N4 N5 1.362(8) . ?
N6 Cu2 1.988(6) . ?
N7 N9 1.362(8) . ?
N8 Cu2 1.986(6) 1_565 ?
O1 Mo3 1.703(6) . ?
O2 Mo2 1.729(5) 2_554 ?
O2 Mo3 2.266(5) . ?
O3 Mo1 1.911(5) . ?
O3 Mo3 1.929(5) . ?
O4 Mo2 2.136(5) . ?
O4 Mo1 2.296(5) . ?
O4 Mo4 2.364(5) 2_554 ?
O4 Mo2 2.382(5) 2_554 ?
O4 Mo3 2.469(5) . ?
O5 Mo1 1.731(5) . ?
O6 Mo2 1.666(5) . ?
O7 Mo2 1.942(5) . ?
O7 Mo1 2.004(5) . ?
O7 Mo4 2.299(5) . ?
O8 Mo1 1.683(5) . ?
O9 Mo2 1.964(4) 2_554 ?
O9 Mo4 2.018(5) . ?
O9 Mo1 2.366(5) . ?
O10 Mo4 1.880(5) . ?
O10 Mo3 1.908(5) 2_554 ?
O11 Mo4 1.706(5) . ?
O12 Mo4 1.701(5) . ?
O13 Mo3 1.706(5) . ?
Cu1 N1 1.945(6) 2_364 ?
Cu1 O1W 2.013(7) . ?
Cu1 O1W 2.013(7) 2_364 ?
Cu2 N8 1.986(6) 2_565 ?
Cu2 N8 1.986(6) 1_545 ?
Cu2 N6 1.988(6) 2 ?
Mo1 Mo2 3.1922(12) . ?
Mo2 O2 1.729(5) 2_554 ?
Mo2 O9 1.964(4) 2_554 ?
Mo2 O4 2.382(5) 2_554 ?
Mo3 O10 1.908(5) 2_554 ?
Mo4 O4 2.364(5) 2_554 ?
