Crystallography Open Database

Information card for entry 4324425

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Structure parameters

Formula	C26 H40 F6 N12 O6 Re2 S2
Calculated formula	C26 H40 F6 N12 O6 Re2 S2
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	9.015 ± 0.006 Å
b	15.094 ± 0.009 Å
c	15.296 ± 0.007 Å
α	90°
β	119.56 ± 0.03°
γ	90°
Cell volume	1810.5 ± 1.9 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0967
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	0.848
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.	4324425.cif
179347	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.	4324425.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324425.cif
41133	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324425 via cif-deposit CGI script.	4324425.cif