Crystallography Open Database

Information card for entry 4107515

Preview

Coordinates	4107515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 Cu6 O26
Calculated formula	C32 H24 Cu6 O26
SMILES	O1[Cu]23[O]4c5c6cccc5C1=[O][Cu](OC1=[O][Cu]57[O]8c9c(cccc9C(O5)=[O][Cu](OC(=[O]2)c2c5c(ccc2)C(=O)O[Cu]4(OC6=O)[O]35)([OH2])([OH2])[OH2])C(=O)O[Cu]28OC(=O)c3c(c1ccc3)[O]72)([OH2])([OH2])[OH2]
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	7.0738 ± 0.0006 Å
b	10.8611 ± 0.0008 Å
c	12.079 ± 0.0009 Å
α	104.014 ± 0.001°
β	99.412 ± 0.001°
γ	98.208 ± 0.001°
Cell volume	872.01 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	4107515.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107515.cif
55201	2012-05-04	cif/ Adding structures of 4107515 via cif-deposit CGI script.	4107515.cif