#------------------------------------------------------------------------------
#$Date: 2019-11-28 18:59:00 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244364 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/88/7238804.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_7238804
loop_
_publ_author_name
'Wang, XiuLi'
'Xu, Chuang'
'Lin, HongYan'
'Liu, GuoCheng'
'Luan, Jian'
'Chang, ZhiHan'
_publ_section_title
;
 Two novel octamolybdate-based frameworks decorated by flexible
 bis-pyridyl-bis-amide ligands with different spacer lengths
;
_journal_issue                   11
_journal_name_full               'RSC Advances'
_journal_page_first              3592
_journal_paper_doi               10.1039/c2ra22855f
_journal_volume                  3
_journal_year                    2013
_chemical_formula_sum            'C18 H24 Cu Mo4 N4 O16'
_chemical_formula_weight         999.71
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 119.7960(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.7915(17)
_cell_length_b                   14.0624(10)
_cell_length_c                   19.667(2)
_cell_measurement_temperature    293(2)
_cell_volume                     5710.0(8)
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0223
_diffrn_reflns_av_sigmaI/netI    0.0262
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            14643
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    2.522
_exptl_absorpt_correction_T_max  0.7689
_exptl_absorpt_correction_T_min  0.7191
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            blue-green
_exptl_crystal_density_diffrn    2.326
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3880
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.526
_refine_diff_density_min         -0.587
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         5020
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0261
_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)+(0.0397P)²+17.1836P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0679
_refine_ls_wR_factor_ref         0.0717
_reflns_number_gt                4332
_reflns_number_total             5020
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ra22855f_2.txt
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7238804
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu -0.33564(2) -0.01469(3) -0.68194(3) 0.03247(13) Uani 1 1 d . . .
Mo1 Mo -0.521119(15) -0.12150(2) -0.526187(18) 0.02368(9) Uani 1 1 d . . .
Mo2 Mo -0.438481(15) -0.01704(2) -0.591590(18) 0.02634(9) Uani 1 1 d . . .
Mo3 Mo -0.635692(15) 0.03396(2) -0.606802(18) 0.02771(10) Uani 1 1 d . . .
Mo4 Mo -0.550961(16) 0.14164(2) -0.673284(18) 0.02711(10) Uani 1 1 d . . .
O1 O -0.52849(11) 0.01172(17) -0.57961(14) 0.0238(5) Uani 1 1 d . . .
O2 O -0.59622(11) -0.06754(18) -0.52507(14) 0.0269(5) Uani 1 1 d . . .
O3 O -0.43419(12) -0.10679(18) -0.51197(14) 0.0268(5) Uani 1 1 d . . .
O4 O -0.46334(12) 0.10792(19) -0.63682(15) 0.0304(6) Uani 1 1 d . . .
O5 O -0.61999(13) 0.14466(19) -0.64991(15) 0.0321(6) Uani 1 1 d . . .
O6 O -0.49777(13) -0.19892(18) -0.44594(15) 0.0319(6) Uani 1 1 d . . .
O7 O -0.55703(13) -0.1925(2) -0.60536(16) 0.0373(7) Uani 1 1 d . . .
O8 O -0.36184(13) -0.0168(2) -0.57788(16) 0.0351(6) Uani 1 1 d . . .
O9 O -0.48201(13) -0.0873(2) -0.67042(15) 0.0350(6) Uani 1 1 d . . .
O10 O -0.67028(14) -0.0353(2) -0.68934(16) 0.0406(7) Uani 1 1 d . . .
O11 O -0.69779(13) 0.0679(2) -0.59388(17) 0.0445(7) Uani 1 1 d . . .
O12 O -0.58745(12) 0.05912(19) -0.74880(14) 0.0309(6) Uani 1 1 d . . .
O13 O -0.55917(15) 0.2473(2) -0.71797(17) 0.0443(7) Uani 1 1 d . . .
O14 O -0.1237(2) -0.2490(3) -0.3826(2) 0.0801(13) Uani 1 1 d . . .
O15 O 0.19633(19) 0.0804(2) -0.0557(2) 0.0718(11) Uani 1 1 d . . .
N1 N -0.25491(16) -0.0878(2) -0.61719(19) 0.0360(8) Uani 1 1 d . . .
N2 N -0.1645(2) -0.1103(3) -0.3698(2) 0.0577(11) Uani 1 1 d . B .
H2A H -0.1844 -0.0562 -0.3946 0.069 Uiso 1 1 d R . .
N3 N 0.1155(2) 0.1787(3) -0.0807(3) 0.0662(13) Uani 1 1 d . . .
H3B H 0.0983 0.2366 -0.0981 0.079 Uiso 1 1 d R . .
N4 N 0.20871(16) 0.3879(2) -0.1459(2) 0.0369(8) Uani 1 1 d . . .
C1 C -0.23273(19) -0.1017(3) -0.5411(3) 0.0366(9) Uani 1 1 d . . .
H1A H -0.2553 -0.0754 -0.5183 0.044 Uiso 1 1 calc R . .
C2 C -0.1772(2) -0.1540(3) -0.4946(3) 0.0397(10) Uani 1 1 d . . .
C3 C -0.1437(3) -0.1909(4) -0.5296(3) 0.0618(15) Uani 1 1 d . . .
H3A H -0.1064 -0.2266 -0.5003 0.074 Uiso 1 1 calc R . .
C4 C -0.1660(3) -0.1746(4) -0.6074(3) 0.0696(17) Uani 1 1 d . . .
H4A H -0.1435 -0.1977 -0.6314 0.084 Uiso 1 1 calc R . .
C5 C -0.2219(2) -0.1237(3) -0.6495(3) 0.0533(13) Uani 1 1 d . . .
H5A H -0.2374 -0.1139 -0.7026 0.064 Uiso 1 1 calc R . .
C6 C -0.1531(2) -0.1743(3) -0.4099(3) 0.0434(11) Uani 1 1 d . . .
C7 C -0.1462(3) -0.1190(5) -0.2873(3) 0.083(2) Uani 1 1 d . . .
H7A H -0.1370 -0.1850 -0.2713 0.100 Uiso 1 1 calc R A 1
H7B H -0.1818 -0.0983 -0.2802 0.100 Uiso 1 1 calc R A 1
C8 C -0.0849(10) -0.0568(12) -0.2354(6) 0.102(4) Uani 0.73(3) 1 d PU B 1
H8A H -0.0496 -0.0792 -0.2425 0.123 Uiso 0.73(3) 1 calc PR B 1
H8B H -0.0942 0.0083 -0.2543 0.123 Uiso 0.73(3) 1 calc PR B 1
C8' C -0.121(2) -0.038(3) -0.2388(19) 0.102(4) Uani 0.27(3) 1 d P B 2
H8'A H -0.1554 -0.0073 -0.2350 0.123 Uiso 0.27(3) 1 calc PR B 2
H8'B H -0.1057 0.0062 -0.2643 0.123 Uiso 0.27(3) 1 calc PR B 2
C9 C -0.0638(4) -0.0566(7) -0.1542(5) 0.121(3) Uani 1 1 d U . .
H9A H -0.0635 -0.1223 -0.1389 0.145 Uiso 1 1 calc R B 1
H9B H -0.0968 -0.0242 -0.1477 0.145 Uiso 1 1 calc R B 1
C10 C -0.0025(8) -0.0161(15) -0.0983(9) 0.113(5) Uani 0.72(3) 1 d P B 1
H10A H 0.0278 -0.0682 -0.0747 0.135 Uiso 0.72(3) 1 calc PR B 1
H10B H -0.0080 0.0124 -0.0571 0.135 Uiso 0.72(3) 1 calc PR B 1
C10' C -0.026(2) 0.034(4) -0.117(2) 0.113(5) Uani 0.28(3) 1 d P B 2
H10C H -0.0558 0.0867 -0.1387 0.135 Uiso 0.28(3) 1 calc PR B 2
H10D H -0.0115 0.0312 -0.0617 0.135 Uiso 0.28(3) 1 calc PR B 2
C11 C 0.0299(3) 0.0581(5) -0.1241(4) 0.0803(18) Uani 1 1 d . . .
H11A H 0.0491 0.0265 -0.1515 0.096 Uiso 1 1 calc R B 1
H11B H -0.0027 0.1018 -0.1604 0.096 Uiso 1 1 calc R B 1
C12 C 0.0811(3) 0.1131(4) -0.0573(4) 0.0691(16) Uani 1 1 d . B .
H12A H 0.0613 0.1487 -0.0324 0.083 Uiso 1 1 calc R . .
H12B H 0.1119 0.0691 -0.0189 0.083 Uiso 1 1 calc R . .
C13 C 0.1706(2) 0.1575(3) -0.0788(3) 0.0452(11) Uani 1 1 d . . .
C14 C 0.2017(2) 0.2303(3) -0.1045(3) 0.0425(10) Uani 1 1 d . . .
C15 C 0.18072(19) 0.3233(3) -0.1219(2) 0.0364(9) Uani 1 1 d . . .
H15A H 0.1455 0.3421 -0.1168 0.044 Uiso 1 1 calc R . .
C16 C 0.2592(2) 0.3612(4) -0.1519(3) 0.0576(14) Uani 1 1 d . . .
H16A H 0.2789 0.4055 -0.1684 0.069 Uiso 1 1 calc R . .
C17 C 0.2839(3) 0.2707(4) -0.1345(4) 0.0797(19) Uani 1 1 d . . .
H17A H 0.3196 0.2542 -0.1393 0.096 Uiso 1 1 calc R . .
C18 C 0.2552(3) 0.2049(4) -0.1103(4) 0.0667(16) Uani 1 1 d . . .
H18A H 0.2716 0.1435 -0.0978 0.080 Uiso 1 1 calc R . .
O1W O -0.38495(14) -0.13173(19) -0.72274(16) 0.0373(7) Uani 1 1 d . . .
H1WA H -0.3841 -0.1741 -0.6914 0.045 Uiso 1 1 d R . .
H1WB H -0.4110 -0.1179 -0.7704 0.045 Uiso 1 1 d 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'
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'
O O 0.0106 0.0060 '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
O1W Cu1 O12 89.88(11) . 2_453
O1W Cu1 N1 91.12(13) . .
O12 Cu1 N1 175.57(13) 2_453 .
O1W Cu1 N4 175.31(13) . 8_455
O12 Cu1 N4 85.43(12) 2_453 8_455
N1 Cu1 N4 93.55(14) . 8_455
O1W Cu1 O8 89.01(11) . .
O12 Cu1 O8 92.90(10) 2_453 .
N1 Cu1 O8 91.43(12) . .
N4 Cu1 O8 91.33(13) 8_455 .
O7 Mo1 O6 104.53(13) . .
O7 Mo1 O2 101.22(12) . .
O6 Mo1 O2 96.49(11) . .
O7 Mo1 O3 102.10(12) . .
O6 Mo1 O3 95.56(11) . .
O2 Mo1 O3 150.07(10) . .
O7 Mo1 O1 100.81(12) . .
O6 Mo1 O1 154.64(11) . .
O2 Mo1 O1 79.08(10) . .
O3 Mo1 O1 78.33(10) . .
O7 Mo1 O1 175.87(11) . 5_454
O6 Mo1 O1 79.59(10) . 5_454
O2 Mo1 O1 78.29(9) . 5_454
O3 Mo1 O1 77.10(9) . 5_454
O1 Mo1 O1 75.06(10) . 5_454
O7 Mo1 Mo2 91.80(10) . .
O6 Mo1 Mo2 131.39(9) . .
O2 Mo1 Mo2 125.19(7) . .
O3 Mo1 Mo2 35.86(7) . .
O1 Mo1 Mo2 46.13(6) . .
O1 Mo1 Mo2 85.22(6) 5_454 .
O9 Mo2 O8 105.43(13) . .
O9 Mo2 O4 101.68(12) . .
O8 Mo2 O4 97.46(12) . .
O9 Mo2 O3 96.90(12) . .
O8 Mo2 O3 104.25(12) . .
O4 Mo2 O3 146.42(10) . .
O9 Mo2 O1 91.11(11) . .
O8 Mo2 O1 163.45(11) . .
O4 Mo2 O1 78.41(9) . .
O3 Mo2 O1 73.47(9) . .
O9 Mo2 O2 162.39(11) . 5_454
O8 Mo2 O2 90.87(11) . 5_454
O4 Mo2 O2 82.34(10) . 5_454
O3 Mo2 O2 72.14(9) . 5_454
O1 Mo2 O2 72.75(8) . 5_454
O9 Mo2 Mo1 83.17(9) . .
O8 Mo2 Mo1 139.59(9) . .
O4 Mo2 Mo1 119.79(7) . .
O3 Mo2 Mo1 35.47(7) . .
O1 Mo2 Mo1 41.38(6) . .
O2 Mo2 Mo1 80.02(6) 5_454 .
O11 Mo3 O10 105.02(14) . .
O11 Mo3 O5 102.54(14) . .
O10 Mo3 O5 98.72(13) . .
O11 Mo3 O2 100.21(13) . .
O10 Mo3 O2 99.70(13) . .
O5 Mo3 O2 145.76(11) . .
O11 Mo3 O3 88.09(12) . 5_454
O10 Mo3 O3 165.77(12) . 5_454
O5 Mo3 O3 83.47(10) . 5_454
O2 Mo3 O3 72.02(9) . 5_454
O11 Mo3 O1 159.20(12) . .
O10 Mo3 O1 95.50(11) . .
O5 Mo3 O1 77.20(10) . .
O2 Mo3 O1 72.51(9) . .
O3 Mo3 O1 71.16(8) 5_454 .
O13 Mo4 O12 105.27(13) . .
O13 Mo4 O4 103.77(13) . .
O12 Mo4 O4 98.31(12) . .
O13 Mo4 O5 102.39(13) . .
O12 Mo4 O5 95.52(12) . .
O4 Mo4 O5 145.88(11) . .
O13 Mo4 O6 95.53(12) . 5_454
O12 Mo4 O6 159.14(11) . 5_454
O4 Mo4 O6 77.84(11) . 5_454
O5 Mo4 O6 78.19(11) . 5_454
O13 Mo4 O1 166.12(12) . .
O12 Mo4 O1 88.54(10) . .
O4 Mo4 O1 75.04(10) . .
O5 Mo4 O1 74.30(10) . .
O6 Mo4 O1 70.63(9) 5_454 .
Mo1 O1 Mo2 92.50(9) . .
Mo1 O1 Mo3 92.50(9) . .
Mo2 O1 Mo3 163.37(12) . .
Mo1 O1 Mo1 104.94(10) . 5_454
Mo2 O1 Mo1 96.95(9) . 5_454
Mo3 O1 Mo1 97.07(9) . 5_454
Mo1 O1 Mo4 164.95(12) . .
Mo2 O1 Mo4 85.46(8) . .
Mo3 O1 Mo4 85.60(8) . .
Mo1 O1 Mo4 90.11(8) 5_454 .
Mo1 O2 Mo3 109.59(11) . .
Mo1 O2 Mo2 109.25(10) . 5_454
Mo3 O2 Mo2 102.77(11) . 5_454
Mo1 O3 Mo2 108.67(12) . .
Mo1 O3 Mo3 111.56(11) . 5_454
Mo2 O3 Mo3 104.15(11) . 5_454
Mo4 O4 Mo2 115.49(12) . .
Mo3 O5 Mo4 118.20(13) . .
Mo1 O6 Mo4 119.66(13) . 5_454
Mo2 O8 Cu1 124.84(14) . .
Mo4 O12 Cu1 148.04(15) . 2_453
C5 N1 C1 118.8(4) . .
C5 N1 Cu1 120.2(3) . .
C1 N1 Cu1 120.9(3) . .
C6 N2 C7 125.0(5) . .
C6 N2 H2A 117.6 . .
C7 N2 H2A 117.3 . .
C13 N3 C12 123.7(4) . .
C13 N3 H3B 118.1 . .
C12 N3 H3B 118.3 . .
C16 N4 C15 118.1(4) . .
C16 N4 Cu1 124.2(3) . 8_556
C15 N4 Cu1 117.3(3) . 8_556
N1 C1 C2 122.3(4) . .
N1 C1 H1A 118.9 . .
C2 C1 H1A 118.9 . .
C1 C2 C3 117.8(4) . .
C1 C2 C6 123.2(4) . .
C3 C2 C6 119.0(4) . .
C4 C3 C2 119.5(4) . .
C4 C3 H3A 120.2 . .
C2 C3 H3A 120.2 . .
C5 C4 C3 119.0(5) . .
C5 C4 H4A 120.5 . .
C3 C4 H4A 120.5 . .
N1 C5 C4 122.5(5) . .
N1 C5 H5A 118.8 . .
C4 C5 H5A 118.8 . .
O14 C6 N2 124.6(5) . .
O14 C6 C2 118.0(4) . .
N2 C6 C2 117.4(4) . .
C8' C7 N2 118.2(16) . .
C8' C7 C8 33.0(18) . .
N2 C7 C8 110.1(7) . .
C8' C7 H7A 126.8 . .
N2 C7 H7A 109.6 . .
C8 C7 H7A 109.6 . .
C8' C7 H7B 77.0 . .
N2 C7 H7B 109.6 . .
C8 C7 H7B 109.6 . .
H7A C7 H7B 108.2 . .
C9 C8 C7 115.4(11) . .
C9 C8 H8A 108.4 . .
C7 C8 H8A 108.4 . .
C9 C8 H8B 108.4 . .
C7 C8 H8B 108.4 . .
H8A C8 H8B 107.5 . .
C7 C8' C9 116(3) . .
C7 C8' H8'A 108.3 . .
C9 C8' H8'A 108.3 . .
C7 C8' H8'B 108.3 . .
C9 C8' H8'B 108.3 . .
H8'A C8' H8'B 107.4 . .
C8 C9 C10 121.3(11) . .
C8 C9 C10' 109.5(18) . .
C10 C9 C10' 33.5(17) . .
C8 C9 C8' 33.2(15) . .
C10 C9 C8' 139.7(19) . .
C10' C9 C8' 111(3) . .
C8 C9 H9A 107.0 . .
C10 C9 H9A 107.0 . .
C10' C9 H9A 137.5 . .
C8' C9 H9A 111.1 . .
C8 C9 H9B 107.0 . .
C10 C9 H9B 107.0 . .
C10' C9 H9B 82.6 . .
C8' C9 H9B 74.4 . .
H9A C9 H9B 106.7 . .
C9 C10 C11 120.3(12) . .
C9 C10 H10A 107.2 . .
C11 C10 H10A 107.2 . .
C9 C10 H10B 107.2 . .
C11 C10 H10B 107.2 . .
H10A C10 H10B 106.9 . .
C11 C10' C9 121(4) . .
C11 C10' H10C 107.2 . .
C9 C10' H10C 107.2 . .
C11 C10' H10D 107.2 . .
C9 C10' H10D 107.2 . .
H10C C10' H10D 106.8 . .
C10' C11 C12 115.3(17) . .
C10' C11 C10 33.5(18) . .
C12 C11 C10 112.9(7) . .
C10' C11 H11A 130.8 . .
C12 C11 H11A 109.0 . .
C10 C11 H11A 109.0 . .
C10' C11 H11B 77.3 . .
C12 C11 H11B 109.0 . .
C10 C11 H11B 109.0 . .
H11A C11 H11B 107.8 . .
N3 C12 C11 113.1(5) . .
N3 C12 H12A 109.0 . .
C11 C12 H12A 109.0 . .
N3 C12 H12B 109.0 . .
C11 C12 H12B 109.0 . .
H12A C12 H12B 107.8 . .
O15 C13 N3 121.3(5) . .
O15 C13 C14 119.6(5) . .
N3 C13 C14 119.1(4) . .
C18 C14 C15 117.4(5) . .
C18 C14 C13 118.9(4) . .
C15 C14 C13 123.7(4) . .
N4 C15 C14 123.1(4) . .
N4 C15 H15A 118.5 . .
C14 C15 H15A 118.5 . .
N4 C16 C17 122.5(5) . .
N4 C16 H16A 118.7 . .
C17 C16 H16A 118.7 . .
C18 C17 C16 119.2(5) . .
C18 C17 H17A 120.4 . .
C16 C17 H17A 120.4 . .
C17 C18 C14 119.6(5) . .
C17 C18 H18A 120.2 . .
C14 C18 H18A 120.2 . .
Cu1 O1W H1WA 120.0 . .
Cu1 O1W H1WB 102.7 . .
H1WA O1W H1WB 134.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1W 1.948(3) .
Cu1 O12 1.950(3) 2_453
Cu1 N1 1.984(3) .
Cu1 N4 2.013(3) 8_455
Cu1 O8 2.418(3) .
Mo1 O7 1.682(3) .
Mo1 O6 1.765(3) .
Mo1 O2 1.951(2) .
Mo1 O3 1.955(2) .
Mo1 O1 2.112(2) .
Mo1 O1 2.380(2) 5_454
Mo1 Mo2 3.1923(5) .
Mo2 O9 1.690(3) .
Mo2 O8 1.705(3) .
Mo2 O4 1.925(3) .
Mo2 O3 1.974(3) .
Mo2 O1 2.303(2) .
Mo2 O2 2.341(2) 5_454
Mo3 O11 1.688(3) .
Mo3 O10 1.713(3) .
Mo3 O5 1.896(3) .
Mo3 O2 2.001(3) .
Mo3 O3 2.326(2) 5_454
Mo3 O1 2.352(2) .
Mo4 O13 1.688(3) .
Mo4 O12 1.739(3) .
Mo4 O4 1.897(3) .
Mo4 O5 1.913(3) .
Mo4 O6 2.189(3) 5_454
Mo4 O1 2.457(2) .
O1 Mo1 2.380(2) 5_454
O2 Mo2 2.341(2) 5_454
O3 Mo3 2.326(2) 5_454
O6 Mo4 2.189(3) 5_454
O12 Cu1 1.950(3) 2_453
O14 C6 1.228(5) .
O15 C13 1.216(5) .
N1 C5 1.331(6) .
N1 C1 1.332(5) .
N2 C6 1.310(6) .
N2 C7 1.460(7) .
N2 H2A 0.8998 .
N3 C13 1.324(6) .
N3 C12 1.452(7) .
N3 H3B 0.8999 .
N4 C16 1.318(6) .
N4 C15 1.344(5) .
N4 Cu1 2.013(3) 8_556
C1 C2 1.385(6) .
C1 H1A 0.9300 .
C2 C3 1.387(7) .
C2 C6 1.497(6) .
C3 C4 1.367(7) .
C3 H3A 0.9300 .
C4 C5 1.367(7) .
C4 H4A 0.9300 .
C5 H5A 0.9300 .
C7 C8' 1.41(4) .
C7 C8 1.567(16) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C9 1.416(13) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C8' C9 1.56(4) .
C8' H8'A 0.9700 .
C8' H8'B 0.9700 .
C9 C10 1.437(14) .
C9 C10' 1.52(4) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.526(15) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C10' C11 1.44(4) .
C10' H10C 0.9700 .
C10' H10D 0.9700 .
C11 C12 1.489(8) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.493(7) .
C14 C18 1.379(7) .
C14 C15 1.380(6) .
C15 H15A 0.9300 .
C16 C17 1.372(7) .
C16 H16A 0.9300 .
C17 C18 1.368(8) .
C17 H17A 0.9300 .
C18 H18A 0.9300 .
O1W H1WA 0.8501 .
O1W H1WB 0.8500 .
