Crystallography Open Database

Information card for entry 4107516

Preview

Coordinates	4107516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H4 Cu O4
Calculated formula	C8 H4 Cu O4
Title of publication	A Structurally Perfect S=1/2 Metal-Organic Hybrid Kagomé Antiferromagnet
Authors of publication	Emily A. Nytko; Joel S. Helton; Peter Müller; Daniel G. Nocera
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	2922 - 2923
a	9.1081 ± 0.0002 Å
b	9.1081 ± 0.0002 Å
c	15.9432 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	1145.41 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0674
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
178821 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/75.	4107516.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107516.cif
55202	2012-05-04	cif/ Adding structures of 4107516 via cif-deposit CGI script.	4107516.cif