Crystallography Open Database

Information card for entry 4318320

Preview

Coordinates	4318320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13.5 H30 Cl N O0.5 P2 Re3 Se4
Calculated formula	C13.5 H30 Cl N O0.5 P2 Re3 Se4
Title of publication	Site-Differentiated Hexanuclear Rhenium(III) Cyanide Clusters [Re6Se8(PEt3)n(CN)6-n]n-4 (n= 4, 5) and Kinetics of Solvate Ligand Exchange on the Cubic [Re6Se8]2+ Core
Authors of publication	Thomas G. Gray; R. H. Holm
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	4211 - 4216
a	18.5879 ± 0.0007 Å
b	35.3143 ± 0.0013 Å
c	18.0726 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	11863.2 ± 0.7 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	8
Space group number	72
Hermann-Mauguin space group symbol	I b a m
Hall space group symbol	-I 2 2c
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1441
Weighted residual factors for all reflections included in the refinement	0.1689
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	4318320.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318320.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318320.cif
15033	2011-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4318320 via cif-deposit CGI script.	4318320.cif