Cobalt substitution in a flexible metal-organic framework: modulating a soft paddle-wheel unit for tunable gate-opening adsorption.
Zhu, Jiaxing; Chen, Junye; Qiu, Tianze; Deng, Mingli; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Zhou, Yaming; Dalton transactions (Cambridge, England : 2003) 48 (2019) 7100–7104; doi:10.1039/c9dt00115h

data_7049429
_publ_section_title
;
 Cobalt substitution in a flexible metal-organic framework: modulating a
 soft paddle-wheel unit for tunable gate-opening adsorption.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7100
_journal_page_last               7104
_journal_paper_doi               10.1039/c9dt00115h
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C18 H10 Co N5 O8 Zn, C2 H8 N, 6.5(H2 O)'
_chemical_formula_sum            'C20 H31 Co N6 O14.5 Zn'
_chemical_formula_weight         711.81
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-03-02 deposited with the CCDC.    2019-03-08 downloaded from the CCDC.
;
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_cell_measurement_temperature    296(2)
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_cell_volume                     3579.9(7)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_source                   'fine-focus fiber'
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'w=1/[\s^2^(Fo^2^)+(0.0310P)^2^+22.4345P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             3284
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00115h2.cif
_cod_data_source_block           MAC-6-Zn1Co1
_cod_depositor_comments
'Adding full bibliography for 7049426--7049429.cif.'
_cod_original_cell_volume        3579.9(8)
_cod_original_formula_sum        'C20 H31 Co N6 O14.50 Zn'
_cod_database_code               7049429
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_shelx_estimated_absorpt_t_min   0.754
_shelx_estimated_absorpt_t_max   0.841
_exptl_absorpt_special_details   none
_platon_squeeze_void_probe_radius 1.20
_shelx_res_checksum              43916