Crystallography Open Database

Information card for entry 4115743

Preview

Coordinates	4115743.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	csen
Chemical name	mu-ethylenediaminododecahydroxodisulfatooctacobalt(II)-6-water
Formula	C H16 Co4 N O13 S
Calculated formula	C0.99 H9.96 Co4 N0.99 O12.97 S
Title of publication	Layered Cobalt Hydroxysulfates with Both Rigid and Flexible Organic Pillars: Synthesis, Structure, Porosity, and Cooperative Magnetism
Authors of publication	Apinpus Rujiwatra; Cameron J. Kepert; John B. Claridge; Matthew J. Rosseinsky; Hitoshi Kumagai; Mohamedally Kurmoo
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	10584 - 10594
a	8.298 ± 0.001 Å
b	8.298 ± 0.001 Å
c	10.519 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	627.27 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.2179
Weighted residual factors for all reflections included in the refinement	0.2193
Goodness-of-fit parameter for all reflections included in the refinement	1.321
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
178928 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/57.	4115743.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115743.cif
69467	2012-12-18	cif/ Adding structures of 4115743 via cif-deposit CGI script.	4115743.cif