Crystallography Open Database

Information card for entry 4319987

4319986 << 4319987 >> 4319988

Preview

Coordinates	4319987.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Co((SC6F5)(TC-4,4)]
Formula	C35 H34 Co F5 N4 S
Calculated formula	C35 H26 Co F5 N4 S
Title of publication	Pentacoordinate Cobalt(III) Thiolate and Nitrosyl Tropocoronand Compounds
Authors of publication	Katherine J. Franz; Linda H. Doerrer; Bernhard Spingler; Stephen J. Lippard
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3774 - 3780
a	9.532 ± 0.005 Å
b	13.29 ± 0.005 Å
c	13.449 ± 0.005 Å
α	71.055 ± 0.005°
β	89.469 ± 0.005°
γ	77.928 ± 0.005°
Cell volume	1572.6 ± 1.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1241
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1941
Weighted residual factors for all reflections included in the refinement	0.2042
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179279 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/99.	4319987.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319987.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319987.cif
16792	2011-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4319987 via cif-deposit CGI script.	4319987.cif