Crystallography Open Database

Information card for entry 4507883

Preview

Coordinates	4507883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H34 Cl F9 N5 P Ru
Calculated formula	C29 H21 Cl F9 N5 P Ru
Title of publication	Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines
Authors of publication	Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki
Journal of publication	ACS Catalysis
Year of publication	2013
Journal volume	3
Journal issue	5
Pages of publication	812
a	8.6237 ± 0.0008 Å
b	30.965 ± 0.003 Å
c	11.965 ± 0.0011 Å
α	90°
β	109.38 ± 0.001°
γ	90°
Cell volume	3014 ± 0.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	7
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	0.0442
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71069 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.	4507883.cif
87160	2013-07-14	cif/ Adding structures of 4507883 via cif-deposit CGI script.	4507883.cif