Composite cluster-organic frameworks based on polyoxometalates and copper/cobalt-oxygen clusters.
Li, Xin-Xiong; Deng, Chu-Chu; Zhao, Dan; Yu, Hao; Zeng, Qing-Xin; Zheng, Shou-Tian; Dalton transactions (Cambridge, England : 2003) 47 (2018) 16408–16412; doi:10.1039/c8dt03401j

data_7047917
_publ_section_title
;
 Composite cluster-organic frameworks based on polyoxometalates and
 copper/cobalt-oxygen clusters.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16408
_journal_page_last               16412
_journal_paper_doi               10.1039/c8dt03401j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C74 H60 Cu4 Mn Mo6 N6 O34'
_chemical_formula_weight         2462.02
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-10-16 deposited with the CCDC.
2018-10-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.396(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   21.606(4)
_cell_length_c                   25.214(5)
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_cell_measurement_temperature    175(2)
_cell_measurement_theta_max      49.892
_cell_measurement_theta_min      5.557
_cell_volume                     12429(4)
_computing_cell_refinement       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      175(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruke duo apx2'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0503
_diffrn_reflns_av_unetI/netI     0.0920
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       27
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_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -28
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_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.975
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_diffrn_reflns_theta_max         25.039
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_exptl_absorpt_coefficient_mu    1.411
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5508
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_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
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_platon_squeeze_details          ' ?'
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         10701
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.1104
_refine_ls_R_factor_gt           0.0690
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1127P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1799
_refine_ls_wR_factor_ref         0.1974
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6673
_reflns_number_total             10701
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt03401j2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7047917--7047918.cif.'
_cod_database_code               7047917
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.719
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_shelx_res_checksum              51784