Novel Ba^2+^ and Pb^2+^ metal‒organic frameworks based on a semi-rigid tetracarboxylic acid: syntheses, structures, topologies and luminescence properties
Sun, Yanwen; Chen, Zhen; Wang, Xiaozhong; Wang, Lei; Yang, Xue; Liang, Xiaoting; Fan, Shuangshuang; Zhang, Peiran; Acta Crystallographica Section C 77 (2021) 291–298; doi:10.1107/S2053229621005143

data_2022382
_publ_section_title
;
 Novel Ba^2+^ and Pb^2+^ metal--organic frameworks based on a semi-rigid
 tetracarboxylic acid: syntheses, structures, topologies and luminescence
 properties
;
_journal_coeditor_code           DG3016
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              291
_journal_page_last               298
_journal_paper_doi               10.1107/S2053229621005143
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac
'[Ba2 (C23 H20 O8) (C3 H7 N O) (H2 O)4], 3H2 O'
_chemical_formula_moiety         'C26 H35 Ba2 N O13, 3(H2 O1)'
_chemical_formula_sum            'C26 H41 Ba2 N O16'
_chemical_formula_weight         898.26
_chemical_name_systematic
'Poly[[di-\m-aqua-diaqua(dimethylformamide)[\m~7~-5,5'-methylenebis(2,4,6-trimethylbenzene-1,3-dicarboxylato)]dibarium(II)] trihydrate]'
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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_computing_cell_refinement
;
APEX2 (Bruker, 2005)
;
_computing_data_collection
;
APEX2 (Bruker, 2005)
;
_computing_data_reduction
;
SAINT (Bruker, 2005)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov <i>et al.</i>,  2009)
;
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;
OLEX2 (Dolomanov <i>et al.</i>,  2009)
;
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;
SHELXL2014 (Sheldrick, 2015)
;
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;
SHELXS97 (Sheldrick, 2008)
;
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;
(SADABS; Bruker, 2005)
;
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0430P)^2^+1.1405P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.0823
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_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 2022381--2022382.cif.'
_cod_original_cell_volume        3301.4(15)
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