Crystallography Open Database

Information card for entry 2243984

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Structure parameters

Chemical name	Poly[[μ~12~-4,4',4'',4'''-(benzene-1,2,4,5-tetrayl)tetrabenzoato](dimethylformamide)distrontium(II)]
Formula	C40 H32 N2 O10 Sr2
Calculated formula	C40 H32 N2 O10 Sr2
SMILES	C(=O)(c1ccc(cc1)c1cc(c(c2ccc(C(=O)[O-])cc2)cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])[O-].[Sr+2].[Sr+2].N(C=O)(C)C.N(C=O)(C)C
Title of publication	Two metal–organic frameworks based on Sr^2+^ and 1,2,4,5-tetrakis(4-carboxyphenyl)benzene linkers
Authors of publication	Usman, Muhammad; Ogebule, Lydia; Castañeda, Raúl; Oskolkov, Evgenii; Timofeeva, Tatiana
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	12
Pages of publication	1243 - 1248
a	5.935 ± 0.0002 Å
b	18.613 ± 0.0008 Å
c	16.1256 ± 0.0007 Å
α	90°
β	91.853 ± 0.002°
γ	90°
Cell volume	1780.43 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	0.87
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
271903 (current)	2022-01-07	cif/ hkl/ Adding structures of 2243983, 2243984 via cif-deposit CGI script.	2243984.cif 2243984.hkl