Crystallography Open Database

Information card for entry 4108965

Preview

Coordinates	4108965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 O4 Rh2 S2
Calculated formula	C22 H34 O3.98 Rh2 S2
Title of publication	Photochromism of an Organorhodium Dithionite Complex in the Crystalline-State: Molecular Motion of Pentamethylcyclopentadienyl Ligands Coupled to Atom Rearrangement in a Dithionite Ligand
Authors of publication	Hidetaka Nakai; Takashi Nonaka; Yousuke Miyano; Motohiro Mizuno; Yoshiki Ozawa; Koshiro Toriumi; Nobuaki Koga; Takanori Nishioka; Masahiro Irie; Kiyoshi Isobe
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	17836 - 17845
a	8.3642 ± 0.0004 Å
b	36.67 ± 0.002 Å
c	8.4039 ± 0.0004 Å
α	90°
β	115.267 ± 0.002°
γ	90°
Cell volume	2331 ± 0.2 Å³
Cell temperature	110.2 K
Sample thermal history	photo irradiation for 190h at 110K and keep in the dark for 84h at 293K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.2092
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4108965.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108965.cif
57590	2012-05-18	cif/ Adding structures of 4108965 via cif-deposit CGI script.	4108965.cif