A water-stable Ni(ii) diphosphonate exhibiting water vapor adsorption and water-assisted high proton conductivity
Xu, Hailong; Feng, Lu; Huang, Wentao; Wang, Qiaoyun; Zhou, Hong; New Journal of Chemistry 43 (2019) 807–; doi:10.1039/C8NJ04776F

data_7057992
_publ_section_title
;
 A water-stable Ni(ii) diphosphonate exhibiting water vapor adsorption and
 water-assisted high proton conductivity
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              807
_journal_paper_doi               10.1039/C8NJ04776F
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'H12 Ni O6, 2(C9 H15 F N Ni O8 P2), 4(H2 O)'
_chemical_formula_sum            'C18 H50 F2 N2 Ni3 O26 P4'
_chemical_formula_weight         1048.61
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-11-22 deposited with the CCDC.
2018-11-27 downloaded from the CCDC.
;
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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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^)+(0.0344P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0799
_refine_ls_wR_factor_ref         0.0929
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_reflns_number_gt                2126
_reflns_number_total             3312
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nj04776f2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7057992.cif.'
_cod_database_code               7057992
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