Crystallography Open Database

Information card for entry 4078389

Preview

Coordinates	4078389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H37 O P3 Ru
Calculated formula	C18 O P3 Ru
Title of publication	Successive O−C/O−H and sp3C−H Bond Activation oforthoSubstituents in Allyl Phenyl Ethers and Phenols by a Ruthenium(0) Complex
Authors of publication	Hirano, Masafumi; Kurata, Naoki; Marumo, Tsuyoshi; Komiya, Sanshiro
Journal of publication	Organometallics
Year of publication	1998
Journal volume	17
Journal issue	4
Pages of publication	501
a	15.706 ± 0.004 Å
b	9.197 ± 0.004 Å
c	16.57 ± 0.003 Å
α	90°
β	109.27 ± 0.02°
γ	90°
Cell volume	2259.4 ± 1.2 Å³
Cell temperature	20 K
Ambient diffraction temperature	20 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.03
Goodness-of-fit parameter for significantly intense reflections	1.62
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
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.	4078389.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078389.cif
61063	2012-06-20	cif/ Adding structures of 4078389, 4078390 via cif-deposit CGI script.	4078389.cif