Crystallography Open Database

Information card for entry 7023922

Preview

Coordinates	7023922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H81 Co4 N17 O24 S4
Calculated formula	C96 H74 Co4 N16 O21 S4
Title of publication	New metal-organic frameworks based on 2,5-thiophenedicarboxylate and pyridine- or imidazole-based spacers: syntheses, topological structures, and properties.
Authors of publication	Zhou, Li; Wang, Chenggang; Zheng, Xiaofang; Tian, Zhengfang; Wen, Lili; Qu, Hua; Li, Dongfeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	46
Pages of publication	16375 - 16386
a	11.196 ± 0.003 Å
b	13.02 ± 0.003 Å
c	16.52 ± 0.004 Å
α	84.072 ± 0.003°
β	85.182 ± 0.003°
γ	79.138 ± 0.003°
Cell volume	2347.2 ± 1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179944 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/39.	7023922.cif
91575	2013-12-13	cif/ Adding structures of 7023919, 7023920, 7023921, 7023922, 7023923, 7023924, 7023925 via cif-deposit CGI script.	7023922.cif