Crystallography Open Database

Information card for entry 7219942

7219941 << 7219942 >> 7219943

Preview

Coordinates	7219942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H62 Co4 O29 S7
Calculated formula	C36 H24 Co4 O24 S2
Title of publication	Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand
Authors of publication	Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	16
Pages of publication	3162
a	21.818 ± 0.004 Å
b	14.704 ± 0.003 Å
c	26.282 ± 0.005 Å
α	90°
β	126.84 ± 0.03°
γ	90°
Cell volume	6748 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1223
Residual factor for significantly intense reflections	0.1127
Weighted residual factors for significantly intense reflections	0.2865
Weighted residual factors for all reflections included in the refinement	0.2943
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
180530 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/99.	7219942.cif
138532	2015-06-07	cif/ Updating files of 7219937, 7219938, 7219939, 7219940, 7219941, 7219942 Original log message: Adding full bibliography for 7219937--7219942.cif.	7219942.cif
134103	2015-03-19	cif/ Adding structures of 7219937, 7219938, 7219939, 7219940, 7219941, 7219942 via cif-deposit CGI script.	7219942.cif