Reversible Single-Crystal-to-Single-Crystal Transformation and Magnetic Change of Nonporous Copper(II) Complexes by the Chemisorption/Desorption of HCl and H2O.
Cai, Li-Zhen; Jiang, Xiao-Ming; Zhang, Zhang-Jing; Guo, Pei-Yu; Jin, Ai-Ping; Wang, Ming-Sheng; Guo, Guo-Cong; Inorganic chemistry 56 (2017) 1036–1040; doi:10.1021/acs.inorgchem.6b02671

data_4345453
_publ_section_title
;
 Reversible Single-Crystal-to-Single-Crystal Transformation and Magnetic
 Change of Nonporous Copper(II) Complexes by the Chemisorption/Desorption
 of HCl and H2O.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1036
_journal_page_last               1040
_journal_paper_doi               10.1021/acs.inorgchem.6b02671
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'C20 H40 Cl3 Cu K O10'
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_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
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_cell_angle_gamma                90
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_cell_length_b                   28.246(2)
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_cell_measurement_theta_min      4.9300
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_diffrn_ambient_temperature      150.01(10)
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_diffrn_measured_fraction_theta_full 0.590
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_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_av_R_equivalents  0.1377
_diffrn_reflns_av_unetI/netI     0.0716
_diffrn_reflns_Laue_measured_fraction_full 0.590
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_diffrn_reflns_theta_full        67.680
_diffrn_reflns_theta_max         51.532
_diffrn_reflns_theta_min         3.129
_diffrn_source                   'sealed X-ray tube'
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_exptl_absorpt_correction_type   multi-scan
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_refine_diff_density_min         -0.949
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_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] 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_data_source_block
;
;
_cod_original_cell_volume        2954.3(4)
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