Effects of two benzenedicarboxylic acids on the construction of Cd^II^ coordination polymers incorporating a flexible N-donor ligand
Li, Xiao-Fei; Cheng, Di; Meng, Xiang-Ru; Yang, Huai-Xia; Acta Crystallographica Section C 75 (2019) –; doi:10.1107/S2053229619005758

data_2021622
_publ_section_title
;
 Effects of two benzenedicarboxylic acids on the construction of Cd^II^
 coordination polymers incorporating a flexible N-donor ligand
;
_journal_coeditor_code           LG3237
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229619005758
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          '[Cd (C8 H5 O4) Cl (C11 H10 N4)], H2 O'
_chemical_formula_moiety         'C19 H15 Cd Cl N4 O4, (H2 O)'
_chemical_formula_sum            'C19 H17 Cd Cl N4 O5'
_chemical_formula_weight         529.21
_chemical_name_systematic
'<i>catena</i>-Poly[[[di-\m-chlorido-bis[(2-carboxybenzoato-\k^2^<i>O</i>^1^,<i>O</i>^1'^)cadmium(II)]]-bis{\m-2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole-\k^2^<i>N</i>:<i>N</i>'}] dihydrate]'
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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;
CrystalClear (Rigaku/MSC, 2004)
;
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;
CrystalClear (Rigaku/MSC, 2004)
;
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CrystalClear (Rigaku/MSC, 2004)
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_computing_molecular_graphics
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DIAMOND (Brandenburg & Putz, 2005)
;
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;
publCIF (Westrip, 2010)
;
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;
SHELXL2014 (Sheldrick, 2015)
;
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SHELXS97 (Sheldrick, 2008)
;
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;
(CrystalClear; Rigaku/MSC, 2004)
;
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_exptl_crystal_size_mid          0.180
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         4646
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0446
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0257P)^2^+0.7865P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_min   0.792
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