Two heterovalent copper‒organic frameworks with multiple secondary building units: high performance for gas adsorption and separation and I2 sorption and release
Yao, Shuo; Sun, Xiaodong; Liu, Bing; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling; Journal of Materials Chemistry A 4 (2016) 15081–; doi:10.1039/C6TA05142A

data_7236341
_publ_section_title
;
 Two heterovalent copper--organic frameworks with multiple secondary
 building units: high performance for gas adsorption and separation and I2
 sorption and release
;
_journal_issue                   39
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              15081
_journal_paper_doi               10.1039/C6TA05142A
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'C136 H180 Cu8 I4 N24 O32'
_chemical_formula_sum            'C136 H180 Cu8 I4 N24 O32'
_chemical_formula_weight         3678.95
_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-06-04 deposited with the CCDC.
2016-09-05 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
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_diffrn_reflns_theta_max         25.326
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_exptl_absorpt_coefficient_mu    1.399
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_correction_T_min  0.7214
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
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_exptl_crystal_description       block
_exptl_crystal_F_000             7456
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.037
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_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
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_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^)+(0.0878P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1465
_refine_ls_wR_factor_ref         0.1575
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6671
_reflns_number_total             10118
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ta05142a2.cif
_cod_data_source_block           JLU-Liu31
_cod_original_cell_volume        21595(7)
_cod_database_code               7236341
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              42353
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