#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:53:55 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180101 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/47/7054712.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_7054712
loop_
_publ_author_name
'Li, Shaobin'
'Zhang, Li'
'Ma, Huiyuan'
'Pang, Haijun'
'Zhao, Chunyan'
_publ_section_title
;
 Tuning the topology structures of polymolybdate-based hybrids from
 interpenetrated framework to interdigitated architecture via changing
 polymolybdate clusters
;
_journal_issue                   5
_journal_name_full               'New J. Chem.'
_journal_page_first              3528
_journal_paper_doi               10.1039/C5NJ00238A
_journal_volume                  39
_journal_year                    2015
_chemical_formula_sum            'C36 H40 Cu Mo12 N12 O44 P'
_chemical_formula_weight         2590.58
_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
_audit_update_record
;
2015-02-06 deposited with the CCDC.
2015-02-13 downloaded from the CCDC.
;
_cell_angle_alpha                97.478(5)
_cell_angle_beta                 112.381(5)
_cell_angle_gamma                104.018(5)
_cell_formula_units_Z            1
_cell_length_a                   11.158(5)
_cell_length_b                   12.946(5)
_cell_length_c                   13.292(5)
_cell_measurement_reflns_used    3170
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.17
_cell_measurement_theta_min      2.67
_cell_volume                     1668.8(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'Bruker SMART'
_computing_publication_material  'Bruker SMART'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0331
_diffrn_reflns_av_sigmaI/netI    0.0637
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8358
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.24
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    2.618
_exptl_absorpt_correction_T_max  0.624
_exptl_absorpt_correction_T_min  0.485
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            block
_exptl_crystal_density_diffrn    2.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1236.0
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.450
_refine_diff_density_min         -1.504
_refine_diff_density_rms         0.287
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     509
_refine_ls_number_reflns         5962
_refine_ls_number_restraints     97
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0994
_refine_ls_R_factor_gt           0.0716
_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)+(0.1334P)²+17.1338P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1931
_refine_ls_wR_factor_ref         0.2236
_reflns_number_gt                4282
_reflns_number_total             6050
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5nj00238a2.cif
_cod_data_source_block           Compound2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 3086 2015-02-26 13:12:21Z robertas 

 Adding full bibliography for 7054711--7054713.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7054712
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
Mo2 Mo 1.03259(11) -0.12196(9) 0.23165(10) 0.0350(3) Uani 1 1 d .
Mo1 Mo 1.07692(10) 0.16492(8) 0.26671(9) 0.0322(3) Uani 1 1 d .
Mo3 Mo 0.74962(11) 0.10242(9) 0.03839(9) 0.0358(3) Uani 1 1 d .
Mo5 Mo 1.04277(11) 0.28613(8) 0.03582(9) 0.0310(3) Uani 1 1 d .
Mo6 Mo 0.70539(11) -0.18393(8) -0.00109(9) 0.0327(3) Uani 1 1 d .
Mo4 Mo 0.67332(11) -0.05830(9) -0.22746(10) 0.0421(3) Uani 1 1 d .
Cu1 Cu 0.5000 0.5000 0.0000 0.0505(6) Uani 1 2 d S
P1 P 1.0000 0.0000 0.0000 0.0086(6) Uani 1 2 d S
N1 N 0.5737(10) 0.5458(7) 0.3246(8) 0.030(2) Uani 1 1 d .
O4 O 0.5684(9) -0.2721(7) -0.0014(8) 0.043(2) Uani 1 1 d .
O7 O 1.0433(10) -0.1854(8) 0.3349(8) 0.048(2) Uani 1 1 d .
O16 O 1.0616(11) 0.4184(7) 0.0545(9) 0.060(3) Uani 1 1 d .
O19 O 0.9773(13) 0.0986(10) 0.0564(10) 0.014(3) Uani 0.50 1 d PU
O11 O 0.9481(13) -0.1053(10) 0.0299(10) 0.014(3) Uani 0.50 1 d PU
N16 N 0.6102(10) 0.8946(8) 0.3398(8) 0.029(2) Uani 1 1 d .
O14 O 1.1054(9) 0.2339(7) 0.3932(7) 0.040(2) Uani 1 1 d .
N18 N 0.1390(11) 0.5929(9) 0.3185(9) 0.041(3) Uani 1 1 d .
O3 O 0.6332(10) 0.1480(8) 0.0599(10) 0.054(3) Uani 1 1 d .
N2 N 0.5635(11) 0.5401(8) 0.1567(9) 0.036(2) Uani 1 1 d .
C9 C 0.4066(12) 0.7346(10) 0.2359(10) 0.034(3) Uani 1 1 d .
H9 H 0.4300 0.7276 0.1758 0.040 Uiso 1 1 calc R
C6 C 0.3365(13) 0.7602(11) 0.4161(10) 0.039(3) Uani 1 1 d .
H6 H 0.3109 0.7689 0.4747 0.047 Uiso 1 1 calc R
C7 C 0.2580(12) 0.6730(9) 0.3218(10) 0.030(3) Uani 1 1 d .
O18 O 0.8810(9) 0.1291(10) 0.1895(8) 0.059(3) Uani 1 1 d .
C5 C 0.4527(13) 0.8337(10) 0.4220(10) 0.035(3) Uani 1 1 d .
H5 H 0.5072 0.8917 0.4851 0.042 Uiso 1 1 calc R
C14 C 0.5014(13) 0.4971(9) 0.2149(10) 0.033(3) Uani 1 1 d .
H14 H 0.4185 0.4405 0.1841 0.039 Uiso 1 1 calc R
O5 O 0.6899(13) -0.0486(7) 0.0469(8) 0.063(3) Uani 1 1 d U
O15 O 1.0985(10) 0.2714(8) 0.1931(8) 0.047(2) Uani 1 1 d U
C2 C 0.8168(14) 1.0095(14) 0.4076(13) 0.059(4) Uani 1 1 d U
H2 H 0.9044 1.0553 0.4567 0.070 Uiso 1 1 calc R
C8 C 0.2907(14) 0.6600(10) 0.2309(11) 0.040(3) Uani 1 1 d .
H8 H 0.2355 0.6022 0.1676 0.047 Uiso 1 1 calc R
C17 C 0.5725(13) 0.6058(9) 0.5085(10) 0.035(3) Uani 1 1 d .
H17 H 0.6205 0.6771 0.5129 0.042 Uiso 1 1 calc R
O12 O 1.0737(12) 0.0143(10) 0.1324(10) 0.013(3) Uani 0.50 1 d PU
O20 O 0.8437(12) -0.0269(9) -0.0294(10) 0.012(2) Uani 0.50 1 d PU
O2 O 0.6678(14) 0.0476(8) -0.1176(8) 0.068(3) Uani 1 1 d U
O17 O 0.8597(9) 0.2271(10) 0.0244(8) 0.060(3) Uani 1 1 d .
O9 O 1.2187(12) -0.0612(10) 0.2635(10) 0.069(3) Uani 1 1 d U
O8 O 1.0288(11) 0.0123(8) 0.2857(12) 0.070(3) Uani 1 1 d U
C15 C 0.6886(13) 0.6265(10) 0.3378(11) 0.038(3) Uani 1 1 d .
H15 H 0.7571 0.6744 0.4044 0.046 Uiso 1 1 calc R
C18 C 0.5382(14) 0.5834(10) 0.5928(11) 0.037(3) Uani 1 1 d .
H18 H 0.5647 0.6393 0.6559 0.045 Uiso 1 1 calc R
C4 C 0.4874(12) 0.8198(9) 0.3315(9) 0.028(2) Uani 1 1 d .
C3 C 0.7285(13) 0.9457(12) 0.4358(11) 0.048(4) Uani 1 1 d .
H3 H 0.7439 0.9371 0.5077 0.058 Uiso 1 1 calc R
O1 O 0.6350(13) -0.1656(8) -0.1515(8) 0.065(3) Uani 1 1 d U
N3 N 0.7579(11) 0.9966(9) 0.2964(9) 0.042(3) Uani 1 1 d U
H21 H 0.7956 1.0278 0.2578 0.051 Uiso 1 1 calc R
C13 C 0.6801(14) 0.6206(11) 0.2330(11) 0.042(3) Uani 1 1 d .
H13 H 0.7444 0.6650 0.2153 0.050 Uiso 1 1 calc R
C16 C 0.5348(12) 0.5205(9) 0.4145(9) 0.028(2) Uani 1 1 d .
O10 O 0.8379(9) -0.1693(9) 0.1435(7) 0.051(3) Uani 1 1 d .
O23 O 0.5207(9) -0.0841(7) -0.3324(7) 0.0373(19) Uani 1 1 d .
O21 O 1.2180(9) 0.2857(9) 0.0544(7) 0.050(3) Uani 1 1 d .
O22 O 0.9748(9) 0.2397(9) -0.1172(7) 0.048(2) Uani 1 1 d .
N4 N -0.0656(12) 0.4817(9) 0.2590(11) 0.054(3) Uani 1 1 d .
C1 C 0.6328(12) 0.9282(11) 0.2560(10) 0.035(3) Uani 1 1 d .
H1 H 0.5701 0.9066 0.1809 0.042 Uiso 1 1 calc R
C10 C 0.0164(13) 0.5539(11) 0.2315(12) 0.042(3) Uani 1 1 d .
H10 H -0.0078 0.5736 0.1635 0.051 Uiso 1 1 calc R
C12 C 0.132(2) 0.5398(16) 0.4009(18) 0.083(6) Uani 1 1 d U
H12 H 0.2030 0.5513 0.4710 0.100 Uiso 1 1 calc R
C20 C 0.010(2) 0.4714(17) 0.3643(17) 0.091(7) Uani 1 1 d .
H20 H -0.0212 0.4239 0.4023 0.109 Uiso 1 1 calc R
O1W O 0.7175(11) 0.3876(8) 0.0522(9) 0.057(3) Uani 1 1 d .
H1WA H 0.6923 0.3198 0.0539 0.069 Uiso 1 1 d R
H1WB H 0.7868 0.4199 0.1182 0.069 Uiso 1 1 d R
O13 O 1.2492(12) 0.1491(9) 0.2932(10) 0.068(3) Uani 1 1 d U
O2W O 0.6899(19) 0.3054(17) 0.2918(14) 0.074(6) Uani 0.60 1 d PU
O3W O 0.887(4) 0.259(3) 0.454(4) 0.105(13) Uani 0.40 1 d PU
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'
P P 0.1023 0.0942 '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
O7 Mo2 O8 104.4(5) . .
O7 Mo2 O9 101.5(5) . .
O8 Mo2 O9 90.2(5) . .
O7 Mo2 O10 100.9(5) . .
O8 Mo2 O10 90.1(4) . .
O9 Mo2 O10 156.8(5) . .
O7 Mo2 O22 100.4(4) . 2_755
O8 Mo2 O22 155.1(5) . 2_755
O9 Mo2 O22 86.5(4) . 2_755
O10 Mo2 O22 83.5(4) . 2_755
O7 Mo2 O12 161.8(5) . .
O8 Mo2 O12 63.8(5) . .
O9 Mo2 O12 66.3(5) . .
O10 Mo2 O12 93.2(4) . .
O22 Mo2 O12 92.5(4) 2_755 .
O14 Mo1 O15 103.8(4) . .
O14 Mo1 O13 101.9(5) . .
O15 Mo1 O13 93.3(5) . .
O14 Mo1 O18 100.4(5) . .
O15 Mo1 O18 90.0(4) . .
O13 Mo1 O18 156.0(5) . .
O14 Mo1 O8 99.1(5) . .
O15 Mo1 O8 156.9(5) . .
O13 Mo1 O8 84.8(5) . .
O18 Mo1 O8 82.9(5) . .
O14 Mo1 O12 155.5(4) . .
O15 Mo1 O12 97.8(4) . .
O13 Mo1 O12 64.9(5) . .
O18 Mo1 O12 91.1(5) . .
O8 Mo1 O12 60.6(5) . .
O14 Mo1 O19 160.0(4) . .
O15 Mo1 O19 64.8(4) . .
O13 Mo1 O19 95.3(5) . .
O18 Mo1 O19 64.7(4) . .
O8 Mo1 O19 92.4(5) . .
O12 Mo1 O19 43.5(4) . .
O3 Mo3 O17 102.0(5) . .
O3 Mo3 O2 102.3(6) . .
O17 Mo3 O2 89.8(5) . .
O3 Mo3 O18 100.2(5) . .
O17 Mo3 O18 89.0(4) . .
O2 Mo3 O18 157.1(5) . .
O3 Mo3 O5 100.5(5) . .
O17 Mo3 O5 157.5(5) . .
O2 Mo3 O5 86.6(4) . .
O18 Mo3 O5 85.7(4) . .
O3 Mo3 O20 157.9(5) . .
O17 Mo3 O20 96.6(5) . .
O2 Mo3 O20 65.4(4) . .
O18 Mo3 O20 92.0(5) . .
O5 Mo3 O20 61.8(5) . .
O3 Mo3 O19 159.1(5) . .
O17 Mo3 O19 63.7(5) . .
O2 Mo3 O19 93.2(5) . .
O18 Mo3 O19 66.0(4) . .
O5 Mo3 O19 94.3(5) . .
O20 Mo3 O19 42.9(4) . .
O16 Mo5 O22 102.2(5) . .
O16 Mo5 O21 101.3(5) . .
O22 Mo5 O21 91.6(4) . .
O16 Mo5 O17 101.3(5) . .
O22 Mo5 O17 89.3(4) . .
O21 Mo5 O17 156.6(5) . .
O16 Mo5 O15 100.8(5) . .
O22 Mo5 O15 156.8(4) . .
O21 Mo5 O15 86.7(4) . .
O17 Mo5 O15 83.4(4) . .
O16 Mo5 O11 161.5(5) . 2_755
O22 Mo5 O11 65.7(4) . 2_755
O21 Mo5 O11 66.5(4) . 2_755
O17 Mo5 O11 92.8(5) . 2_755
O15 Mo5 O11 92.6(4) . 2_755
O16 Mo5 O19 158.8(5) . .
O22 Mo5 O19 92.6(5) . .
O21 Mo5 O19 93.2(5) . .
O17 Mo5 O19 63.4(5) . .
O15 Mo5 O19 64.4(4) . .
O11 Mo5 O19 39.7(4) 2_755 .
O4 Mo6 O5 102.5(5) . .
O4 Mo6 O10 101.0(5) . .
O5 Mo6 O10 90.1(4) . .
O4 Mo6 O1 101.8(5) . .
O5 Mo6 O1 88.1(4) . .
O10 Mo6 O1 157.0(5) . .
O4 Mo6 O21 100.1(4) . 2_755
O5 Mo6 O21 157.3(5) . 2_755
O10 Mo6 O21 86.8(4) . 2_755
O1 Mo6 O21 86.1(4) . 2_755
O4 Mo6 O20 159.9(4) . .
O5 Mo6 O20 63.3(5) . .
O10 Mo6 O20 93.5(5) . .
O1 Mo6 O20 65.4(5) . .
O21 Mo6 O20 94.4(4) 2_755 .
O4 Mo6 O11 158.1(4) . .
O5 Mo6 O11 94.2(5) . .
O10 Mo6 O11 64.5(4) . .
O1 Mo6 O11 92.8(5) . .
O21 Mo6 O11 64.3(4) 2_755 .
O20 Mo6 O11 42.0(4) . .
O23 Mo4 O1 101.2(5) . .
O23 Mo4 O2 101.1(5) . .
O1 Mo4 O2 89.0(4) . .
O23 Mo4 O13 101.5(5) . 2_755
O1 Mo4 O13 88.9(5) . 2_755
O2 Mo4 O13 157.4(5) . 2_755
O23 Mo4 O9 100.2(5) . 2_755
O1 Mo4 O9 158.5(5) . 2_755
O2 Mo4 O9 88.8(5) . 2_755
O13 Mo4 O9 85.1(5) 2_755 2_755
O23 Mo4 O12 157.5(4) . 2_755
O1 Mo4 O12 95.4(5) . 2_755
O2 Mo4 O12 94.2(5) . 2_755
O13 Mo4 O12 63.6(4) 2_755 2_755
O9 Mo4 O12 63.5(4) 2_755 2_755
O23 Mo4 O20 157.1(4) . .
O1 Mo4 O20 63.7(4) . .
O2 Mo4 O20 63.5(4) . .
O13 Mo4 O20 95.6(5) 2_755 .
O9 Mo4 O20 96.4(4) 2_755 .
O12 Mo4 O20 45.3(4) 2_755 .
N2 Cu1 N2 180.0(3) 2_665 .
O11 P1 O11 180.0(12) 2_755 .
O11 P1 O19 66.2(7) 2_755 .
O11 P1 O19 113.8(7) . .
O11 P1 O19 113.8(7) 2_755 2_755
O11 P1 O19 66.2(7) . 2_755
O19 P1 O19 180.0(11) . 2_755
O11 P1 O20 69.5(6) 2_755 2_755
O11 P1 O20 110.5(6) . 2_755
O19 P1 O20 109.1(6) . 2_755
O19 P1 O20 70.9(6) 2_755 2_755
O11 P1 O20 110.5(6) 2_755 .
O11 P1 O20 69.5(6) . .
O19 P1 O20 70.9(6) . .
O19 P1 O20 109.1(6) 2_755 .
O20 P1 O20 180.0(14) 2_755 .
O11 P1 O12 69.7(6) 2_755 2_755
O11 P1 O12 110.3(6) . 2_755
O19 P1 O12 107.5(6) . 2_755
O19 P1 O12 72.5(6) 2_755 2_755
O20 P1 O12 105.2(6) 2_755 2_755
O20 P1 O12 74.8(6) . 2_755
O11 P1 O12 110.3(6) 2_755 .
O11 P1 O12 69.7(6) . .
O19 P1 O12 72.5(6) . .
O19 P1 O12 107.5(6) 2_755 .
O20 P1 O12 74.8(6) 2_755 .
O20 P1 O12 105.2(6) . .
O12 P1 O12 180.0(14) 2_755 .
C14 N1 C15 108.0(9) . .
C14 N1 C16 126.0(10) . .
C15 N1 C16 126.0(10) . .
P1 O19 O11 56.7(6) . 2_755
P1 O19 O20 55.9(6) . .
O11 O19 O20 94.5(8) 2_755 .
P1 O19 Mo5 126.4(7) . .
O11 O19 Mo5 69.7(6) 2_755 .
O20 O19 Mo5 134.9(7) . .
P1 O19 Mo3 123.1(7) . .
O11 O19 Mo3 133.5(8) 2_755 .
O20 O19 Mo3 67.2(5) . .
Mo5 O19 Mo3 92.9(4) . .
P1 O19 Mo1 122.0(7) . .
O11 O19 Mo1 130.6(8) 2_755 .
O20 O19 Mo1 126.8(7) . .
Mo5 O19 Mo1 91.7(4) . .
Mo3 O19 Mo1 91.1(4) . .
P1 O11 O19 57.1(6) . 2_755
P1 O11 O20 56.8(6) . .
O19 O11 O20 95.0(9) 2_755 .
P1 O11 O12 57.3(6) . .
O19 O11 O12 94.0(8) 2_755 .
O20 O11 O12 90.7(8) . .
P1 O11 Mo5 127.7(7) . 2_755
O19 O11 Mo5 70.6(6) 2_755 2_755
O20 O11 Mo5 134.1(8) . 2_755
O12 O11 Mo5 132.4(7) . 2_755
P1 O11 Mo6 122.9(7) . .
O19 O11 Mo6 132.8(8) 2_755 .
O20 O11 Mo6 66.1(5) . .
O12 O11 Mo6 127.1(7) . .
Mo5 O11 Mo6 91.6(4) 2_755 .
C1 N16 C3 106.5(10) . .
C1 N16 C4 127.0(10) . .
C3 N16 C4 126.5(10) . .
C10 N18 C12 107.2(12) . .
C10 N18 C7 125.3(10) . .
C12 N18 C7 127.5(12) . .
C14 N2 C13 106.0(11) . .
C14 N2 Cu1 126.1(9) . .
C13 N2 Cu1 127.8(9) . .
C4 C9 C8 119.3(11) . .
C5 C6 C7 119.4(11) . .
C8 C7 C6 121.7(11) . .
C8 C7 N18 119.3(11) . .
C6 C7 N18 119.0(10) . .
Mo3 O18 Mo1 136.4(5) . .
C6 C5 C4 119.1(11) . .
N2 C14 N1 110.7(11) . .
Mo6 O5 Mo3 139.4(7) . .
Mo1 O15 Mo5 138.8(5) . .
N3 C2 C3 108.1(12) . .
C9 C8 C7 119.0(11) . .
C18 C17 C16 119.5(11) . .
P1 O12 O11 52.9(5) . .
P1 O12 Mo2 126.2(6) . .
O11 O12 Mo2 73.3(6) . .
P1 O12 Mo1 122.0(6) . .
O11 O12 Mo1 136.3(8) . .
Mo2 O12 Mo1 94.9(4) . .
P1 O12 Mo4 119.6(6) . 2_755
O11 O12 Mo4 129.4(7) . 2_755
Mo2 O12 Mo4 93.5(4) . 2_755
Mo1 O12 Mo4 92.4(4) . 2_755
P1 O20 O11 53.7(6) . .
P1 O20 O19 53.2(5) . .
O11 O20 O19 91.3(8) . .
P1 O20 Mo6 125.6(6) . .
O11 O20 Mo6 72.0(6) . .
O19 O20 Mo6 137.1(7) . .
P1 O20 Mo3 123.1(6) . .
O11 O20 Mo3 136.2(8) . .
O19 O20 Mo3 69.9(6) . .
Mo6 O20 Mo3 94.9(4) . .
P1 O20 Mo4 120.3(6) . .
O11 O20 Mo4 129.5(7) . .
O19 O20 Mo4 126.5(7) . .
Mo6 O20 Mo4 92.6(4) . .
Mo3 O20 Mo4 91.6(4) . .
Mo3 O2 Mo4 139.2(6) . .
Mo3 O17 Mo5 139.8(7) . .
Mo2 O9 Mo4 136.2(7) . 2_755
Mo2 O8 Mo1 139.6(7) . .
C13 C15 N1 104.9(11) . .
C17 C18 C16 120.4(11) . 2_666
C9 C4 C5 121.4(11) . .
C9 C4 N16 119.9(10) . .
C5 C4 N16 118.6(10) . .
C2 C3 N16 107.6(12) . .
Mo4 O1 Mo6 137.6(6) . .
C1 N3 C2 108.6(11) . .
C15 C13 N2 110.3(12) . .
C18 C16 C17 120.1(11) 2_666 .
C18 C16 N1 121.1(10) 2_666 .
C17 C16 N1 118.8(10) . .
Mo6 O10 Mo2 141.6(6) . .
Mo5 O21 Mo6 136.2(6) . 2_755
Mo5 O22 Mo2 139.7(6) . 2_755
C10 N4 C20 108.2(13) . .
N3 C1 N16 109.2(11) . .
N4 C10 N18 108.1(12) . .
C20 C12 N18 108.8(17) . .
C12 C20 N4 107.6(15) . .
Mo1 O13 Mo4 139.1(7) . 2_755
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo2 O7 1.670(8) .
Mo2 O8 1.809(10) .
Mo2 O9 1.888(12) .
Mo2 O10 1.923(9) .
Mo2 O22 1.972(9) 2_755
Mo2 O12 2.395(12) .
Mo1 O14 1.670(8) .
Mo1 O15 1.812(9) .
Mo1 O13 1.885(12) .
Mo1 O18 1.930(9) .
Mo1 O8 1.993(10) .
Mo1 O12 2.450(12) .
Mo1 O19 2.516(13) .
Mo3 O3 1.652(8) .
Mo3 O17 1.855(10) .
Mo3 O2 1.870(10) .
Mo3 O18 1.907(9) .
Mo3 O5 1.940(9) .
Mo3 O20 2.428(12) .
Mo3 O19 2.473(13) .
Mo5 O16 1.647(8) .
Mo5 O22 1.832(9) .
Mo5 O21 1.877(9) .
Mo5 O17 1.938(9) .
Mo5 O15 1.991(10) .
Mo5 O11 2.430(12) 2_755
Mo5 O19 2.444(12) .
Mo6 O4 1.670(8) .
Mo6 O5 1.856(9) .
Mo6 O10 1.877(9) .
Mo6 O1 1.920(10) .
Mo6 O21 1.932(9) 2_755
Mo6 O20 2.403(12) .
Mo6 O11 2.499(13) .
Mo4 O23 1.659(8) .
Mo4 O1 1.881(10) .
Mo4 O2 1.898(11) .
Mo4 O13 1.922(12) 2_755
Mo4 O9 1.950(12) 2_755
Mo4 O12 2.492(12) 2_755
Mo4 O20 2.500(12) .
Cu1 N2 1.878(10) 2_665
Cu1 N2 1.878(10) .
P1 O11 1.512(12) 2_755
P1 O11 1.512(12) .
P1 O19 1.519(12) .
P1 O19 1.519(12) 2_755
P1 O20 1.571(12) 2_755
P1 O20 1.571(12) .
P1 O12 1.596(12) 2_755
P1 O12 1.596(12) .
N1 C14 1.340(15) .
N1 C15 1.377(15) .
N1 C16 1.467(14) .
O19 O11 1.654(17) 2_755
O19 O20 1.792(17) .
O11 O19 1.654(17) 2_755
O11 O20 1.758(17) .
O11 O12 1.778(17) .
O11 Mo5 2.430(12) 2_755
N16 C1 1.334(15) .
N16 C3 1.372(15) .
N16 C4 1.429(15) .
N18 C10 1.331(17) .
N18 C12 1.383(19) .
N18 C7 1.455(15) .
N2 C14 1.311(15) .
N2 C13 1.368(17) .
C9 C4 1.388(16) .
C9 C8 1.387(17) .
C6 C5 1.377(17) .
C6 C7 1.389(17) .
C7 C8 1.390(17) .
C5 C4 1.400(16) .
C2 N3 1.337(18) .
C2 C3 1.33(2) .
C17 C18 1.358(17) .
C17 C16 1.404(16) .
O12 Mo4 2.492(12) 2_755
O9 Mo4 1.950(12) 2_755
C15 C13 1.350(18) .
C18 C16 1.363(16) 2_666
N3 C1 1.315(16) .
C16 C18 1.363(16) 2_666
O21 Mo6 1.932(9) 2_755
O22 Mo2 1.972(9) 2_755
N4 C10 1.331(17) .
N4 C20 1.37(2) .
C12 C20 1.29(3) .
O13 Mo4 1.922(12) 2_755
