Crystallography Open Database

Information card for entry 1512067

1512066 << 1512067 >> 1512068

Preview

Coordinates	1512067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Ru
Calculated formula	C21 H24 Ru
SMILES	[Ru]12345678([cH]9[c]%105[c]4([cH]3[cH]2[cH]19)cccc%10)[CH]1=[C]6(C)[C@H]2C[CH]7=[C]8(C)[C@@H](C1)C2.[Ru]12345678([cH]9[c]%105[c]4([cH]3[cH]2[cH]19)cccc%10)[CH]1=[C]6(C)[C@@H]2C[CH]7=[C]8(C)[C@H](C1)C2
Title of publication	Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex
Authors of publication	Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi
Journal of publication	Organic Letters
Year of publication	2013
Journal volume	15
Journal issue	10
Pages of publication	2486
a	7.5875 ± 0.0015 Å
b	15.884 ± 0.003 Å
c	13.803 ± 0.003 Å
α	90°
β	97.204 ± 0.003°
γ	90°
Cell volume	1650.4 ± 0.6 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	3
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	0.0331
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	0.778
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512067.cif
87206	2013-07-14	cif/ Adding structures of 1512065, 1512066, 1512067, 1512068, 1512069, 1512070, 1512071, 1512072, 1512073 via cif-deposit CGI script.	1512067.cif