Water-assisted proton conduction regulated by hydrophilic groups in metallo-hydrogen-bonded organic frameworks: “like-attracts-like” between hydrophilic groups and water molecules
Wang, Sen; Xie, Fengxia; Zhang, Shiwen; Liang, Xiaoqiang; Gao, Qianhang; Chen, Yu; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan; CrystEngComm 25 (2023) 4701–4715; doi:10.1039/D3CE00438D

data_7247046
_publ_section_title
;
 Water-assisted proton conduction regulated by hydrophilic groups in
 metallo-hydrogen-bonded organic frameworks:
 &#x201C;like-attracts-like&#x201D; between hydrophilic groups and water
 molecules
;
_journal_issue                   33
_journal_name_full               CrystEngComm
_journal_page_first              4701
_journal_page_last               4715
_journal_paper_doi               10.1039/D3CE00438D
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         'C20 H20 Co N10 O2 S2,2(H2 O)'
_chemical_formula_sum            'C20 H24 Co N10 O4 S2'
_chemical_formula_weight         591.54
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2023-04-18 deposited with the CCDC.	2023-07-13 downloaded from the CCDC.
;
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_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.269
_cell_volume                     653.4(11)
_computing_cell_refinement       'SMART '
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_computing_molecular_graphics    'SHELXTL(Brucker, 2008)'
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_computing_structure_solution    'SHELXTL(Brucker, 2008)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       ' phi and omega scans'
_diffrn_radiation_type           MoK\a
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_exptl_crystal_preparation       'proton conduction'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0629P)^2^+0.2897P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7247046--7247047.cif.'
_cod_database_code               7247046
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