Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation
Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin; CrystEngComm 23 (2021) 282–291; doi:10.1039/D0CE01395A

data_7241528
_publ_section_title
;
 Supramolecular Cu(ii)--dipyridyl frameworks featuring weakly coordinating
 dodecaborate dianions for selective gas separation
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              282
_journal_page_last               291
_journal_paper_doi               10.1039/D0CE01395A
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C44 H48 B12 Cl12 Cu N4 O4'
_chemical_formula_weight         1315.52
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_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-2018/3
_audit_update_record
;
2020-09-23 deposited with the CCDC.	2020-11-23 downloaded from the CCDC.
;
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.25
_cell_measurement_theta_min      2.23
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measurement_device_type  'BRUKER D8 VENTURE PHOTON 100'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       52
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_diffrn_reflns_theta_max         26.574
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_exptl_absorpt_coefficient_mu    0.578
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_exptl_crystal_description       block
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_refine_diff_density_max         1.047
_refine_diff_density_min         -1.235
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0600P)^2^+175.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.2738
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11887
_reflns_number_total             20151
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ce01395a2.cif
_cod_data_source_block           yb2_0m_a_sq_sq
_cod_depositor_comments
'Adding full bibliography for 7241528--7241530.cif.'
_cod_original_cell_volume        19578(5)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7241528
_shelx_shelxl_version_number     2018/3
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_shelx_estimated_absorpt_t_max   0.893
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