Crystallography Open Database

Information card for entry 4115742

Preview

Coordinates	4115742.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	csdab
Formula	C3 H14 Co4 N O11 S
Calculated formula	C4 H16 Co5.33333 N1.33333 O14.6667 S1.33333
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	8.303 ± 0.0003 Å
b	8.303 ± 0.0003 Å
c	20.334 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1214.01 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0817
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.689 Å
Diffraction radiation type	synchrotron
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.	4115742.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115742.cif
69466	2012-12-18	cif/ Adding structures of 4115742 via cif-deposit CGI script.	4115742.cif