Reversible Single-Crystal to Single-Crystal Transformations of a Zn(II)-Salicyaldimine Coordination Polymer Accompanying Changes in Coordination Sphere and Network Dimensionality upon Dehydration and Rehydration.
Wu, Jing-Yun; Chang, Ching-Yun; Tsai, Chi-Jou; Lee, Jey-Jau; Inorganic chemistry 54 (2015) 10918–10924; doi:10.1021/acs.inorgchem.5b01963

data_4346695
_publ_section_title
;
 Reversible Single-Crystal to Single-Crystal Transformations of a
 Zn(II)-Salicyaldimine Coordination Polymer Accompanying Changes in
 Coordination Sphere and Network Dimensionality upon Dehydration and
 Rehydration.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10918
_journal_page_last               10924
_journal_paper_doi               10.1021/acs.inorgchem.5b01963
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C14 H10 N2 O3 Zn'
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_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.071(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.0274(3)
_cell_length_b                   14.6548(6)
_cell_length_c                   12.4091(7)
_cell_measurement_temperature    450
_cell_volume                     1192.50(11)
_diffrn_ambient_temperature      450
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.77491
_exptl_absorpt_coefficient_mu    2.686
_exptl_crystal_density_diffrn    1.7797
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_pd_instr_location               ' ?'
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_restraints     33
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0446
_refine_ls_shift/su_max          1.3363
_refine_ls_shift/su_mean         0.3572
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0499
_refine_ls_wR_factor_gt          0.0499
_cod_data_source_file            ic5b01963_si_003.cif
_cod_data_source_block           cpd_1'
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_Hall     '-P 2ycb'
_cod_original_formula_sum        'C14 H10 N2 O3 Zn1'
_cod_database_code               4346695