Crystallography Open Database

Information card for entry 7113016

Preview

Coordinates	7113016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H68 Co8 N8 O32 S2
Calculated formula	C96 H68 Co8 N8 O32 S2
Title of publication	An octacobalt cluster based, (3,12)-connected, magnetic, porous coordination polymer.
Authors of publication	Hou, Lei; Zhang, Wei-Xiong; Zhang, Jie-Peng; Xue, Wei; Zhang, Yue-Biao; Chen, Xiao-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	34
Pages of publication	6311 - 6313
a	17.7875 ± 0.0002 Å
b	17.7875 ± 0.0002 Å
c	32.8115 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	10381.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	137
Hermann-Mauguin space group symbol	P 42/n m c :2
Hall space group symbol	-P 4ac 2a
Residual factor for all reflections	0.1071
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180244 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/30.	7113016.cif
112205	2014-04-30	cif/ Adding structures of 7113016 via cif-deposit CGI script.	7113016.cif