Crystallography Open Database

Information card for entry 4330568

Preview

Coordinates	4330568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.3 H42.37 Cl5 F3 N7 O3 Rh S
Calculated formula	C38.28 H42.32 Cl5 F3 N7 O3 Rh S
Title of publication	Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand
Authors of publication	Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10572 - 10580
a	14.9796 ± 0.0004 Å
b	32.8756 ± 0.0007 Å
c	9.1507 ± 0.0003 Å
α	90°
β	105.548 ± 0.003°
γ	90°
Cell volume	4341.5 ± 0.2 Å³
Cell temperature	99.9 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
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	0.1414
Residual factor for significantly intense reflections	0.1329
Weighted residual factors for significantly intense reflections	0.299
Weighted residual factors for all reflections included in the refinement	0.3025
Goodness-of-fit parameter for all reflections included in the refinement	1.236
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	4330568.cif
80021	2013-04-06	cif/ Adding structures of 4330568 via cif-deposit CGI script.	4330568.cif