Crystallography Open Database

Information card for entry 4082675

Preview

Coordinates	4082675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H46 O P4 Ru
Calculated formula	C21 H46 O P4 Ru
SMILES	[Ru]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)Oc2c(cccc2CC)C1
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	10.4676 ± 0.0016 Å
b	15.184 ± 0.002 Å
c	17.564 ± 0.003 Å
α	90°
β	106.491 ± 0.002°
γ	90°
Cell volume	2676.8 ± 0.7 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
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	0.0247
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	0.612
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoK?
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178715 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/26.	4082675.cif
106763	2014-03-16	cif/ Adding structures of 4082674, 4082675, 4082676, 4082677 via cif-deposit CGI script.	4082675.cif