Synthesis of boron imidazolate frameworks with cobalt clusters for efficient visible-light driven CO2 reduction
Hong, Qin-Long; Zhang, Hai-Xia; Zhang, Jian; Journal of Materials Chemistry A 7 (2019) 17272–; doi:10.1039/C9TA04842A

data_7237675
_publ_section_title
;
 Synthesis of boron imidazolate frameworks with cobalt clusters for
 efficient visible-light driven CO2 reduction
;
_journal_issue                   29
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              17272
_journal_paper_doi               10.1039/C9TA04842A
_journal_volume                  7
_journal_year                    2019
_chemical_formula_sum            'C43 H36 B2 Co3 N14 O17'
_chemical_formula_weight         1219.27
_chemical_name_common            BIF-95-Co
_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'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-01-23 deposited with the CCDC.	2019-07-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.738(16)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   22.084(4)
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_cell_measurement_temperature    293(2)
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_cell_measurement_theta_min      2.0677
_cell_volume                     7056(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  Saturn724+
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.1273
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -23
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_max         27.528
_diffrn_reflns_theta_min         2.063
_exptl_absorpt_coefficient_mu    0.759
_exptl_crystal_colour            purple
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_exptl_crystal_description       bulk
_exptl_crystal_F_000             2476
_exptl_crystal_size_max          0.3000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_refine_diff_density_max         1.069
_refine_diff_density_min         -0.554
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         8074
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_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                4712
_reflns_number_total             8074
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           w
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7237675
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              40669