Crystallography Open Database

Information card for entry 4324426

Preview

Coordinates	4324426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 Cl2 N12 Re2
Calculated formula	C20 H32 Cl2 N12 Re2
Title of publication	Tuning the Electrochemistry of Re26+ Species with Divergent Bicyclic Guanidinate Ligands and by Modification of Axial π Interactions
Authors of publication	Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo; Mark D. Young
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1258 - 1264
a	8.977 ± 0.003 Å
b	8.977 ± 0.003 Å
c	15.36 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1237.8 ± 0.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0607
Goodness-of-fit parameter for all reflections included in the refinement	1.285
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
179347 (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 4/32/44.	4324426.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324426.cif
41134	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324426 via cif-deposit CGI script.	4324426.cif