Crystallography Open Database

Information card for entry 4329101

Preview

Coordinates	4329101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 Cl6 F6 N12 P Re2
Calculated formula	C26 H40 Cl6 F6 N12 P Re2
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	16.853 ± 0.009 Å
b	24.998 ± 0.013 Å
c	9.728 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4098 ± 4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0732
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.15
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
179394 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91.	4329101.cif
78141	2013-04-01	cif/ Adding structures of 4329101 via cif-deposit CGI script.	4329101.cif