Crystallography Open Database

Information card for entry 4329103

Preview

Coordinates	4329103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.75 H46 F8.5 N12 O9.5 Re2 S3.25
Calculated formula	C38.792 H46 F8.376 N12 O9.624 Re2 S3.208
Title of publication	Direct Evidence from Electron Paramagnetic Resonance for Additional Configurations in Uncommon Paddlewheel Re27+ Units Surrounded by an Unsymmetrical Bicyclic Guanidinate
Authors of publication	Gina M. Chiarella; F. Albert Cotton; Naresh S. Dalal; Carlos A. Murillo; Zhenxing Wang; Mark D. Young
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5257 - 5263
a	16.5175 ± 0.0013 Å
b	17.4347 ± 0.0014 Å
c	17.5012 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	5040 ± 0.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	67
Hermann-Mauguin space group symbol	C m m a
Hall space group symbol	-C 2a 2
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4329103.cif
78143	2013-04-01	cif/ Adding structures of 4329103 via cif-deposit CGI script.	4329103.cif