Crystallography Open Database

Information card for entry 4082677

Preview

Coordinates	4082677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20.5 H42.5 O P3 Ru
Calculated formula	C19.75 H39 O P3 Ru
Title of publication	Multiple C–H Bond Cleavage of the Alkyl Group in (2,6-Dialkylphenoxo)ruthenium(II) Complexes
Authors of publication	Hirano, Masafumi; Yanagisawa, Yasuto; Mulyadi, Endin; Komine, Nobuyuki; Komiya, Sanshiro
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	5
Pages of publication	1235
a	12.598 ± 0.011 Å
b	14.207 ± 0.011 Å
c	16.743 ± 0.014 Å
α	75.16 ± 0.04°
β	75.52 ± 0.04°
γ	64.48 ± 0.03°
Cell volume	2580 ± 4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.2639
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275197 (current)	2022-05-07	cif/4/08/26/ Replaced the '' sequences with backslash symbols ('\') in multiple data values in entries 4082674, 4082677.	4082677.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4082677.cif
106763	2014-03-16	cif/ Adding structures of 4082674, 4082675, 4082676, 4082677 via cif-deposit CGI script.	4082677.cif