Crystallography Open Database

Information card for entry 4305978

Preview

Coordinates	4305978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H48.7 Cl2 N3 O4.35 Rh S3
Calculated formula	C20 H30 Cl2 N3 O4.35714 Rh S3
Title of publication	Separation and Optical Resolution of a Pair of atrop Diastereomers of the Octahedral Rhodium(III) Complex with a Nine-Membered S,S-Chelate Ring
Authors of publication	Nobuto Yoshinari; Takumi Konno
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	7450 - 7452
a	18.478 ± 0.003 Å
b	22.337 ± 0.004 Å
c	24.275 ± 0.003 Å
α	90°
β	99.449 ± 0.006°
γ	90°
Cell volume	9883 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/a 1
Hall space group symbol	-P 2ya
Residual factor for all reflections	0.1349
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.1777
Weighted residual factors for all reflections included in the refinement	0.2051
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71075 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.	4305978.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305978.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305978.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305978.cif