Crystallography Open Database

Information card for entry 4329102

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Structure parameters

Formula	C30 H46 Cl21 N12 Re2
Calculated formula	C30 H46 Cl21 N12 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	10.046 ± 0.008 Å
b	10.935 ± 0.008 Å
c	13.492 ± 0.01 Å
α	85.469 ± 0.012°
β	79.659 ± 0.012°
γ	79.016 ± 0.012°
Cell volume	1429.8 ± 1.9 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4329102.cif
179394	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.	4329102.cif
78142	2013-04-01	cif/ Adding structures of 4329102 via cif-deposit CGI script.	4329102.cif