Crystallography Open Database

Information card for entry 4001055

Preview

Coordinates	4001055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H12 Co3 N2 O14 S3
Calculated formula	C2 H12 Co3 N2 O14 S3
Title of publication	Co3(SO4)3(OH)2[enH2]: A NewS= 3/2 Kagome-Type Layered Sulfate with a Unique Connectivity
Authors of publication	Powell, Anthony V.; Leyva-Bailen, Patricia; Vaqueiro, Paz; Sanchez, Rodolfo D.
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	18
Pages of publication	4102
a	11.6795 ± 0.0003 Å
b	19.9926 ± 0.0006 Å
c	8.9249 ± 0.0003 Å
α	90°
β	93.168 ± 0.001°
γ	90°
Cell volume	2080.81 ± 0.11 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Residual factor for all reflections	0.022
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for all reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0255
Weighted residual factors for all reflections included in the refinement	0.0255
Goodness-of-fit parameter for all reflections included in the refinement	1.0646
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001055.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001055.cif
38946	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4001055 via cif-deposit CGI script.	4001055.cif