Crystallography Open Database

Information card for entry 1512066

1512065 << 1512066 >> 1512067

Preview

Coordinates	1512066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Ru
Calculated formula	C20 H22 Ru
SMILES	[Ru]12345678([cH]9[cH]1[cH]2[cH]3[c]14cccc[c]591)[C]1(=[CH]6C[C@@H]2[CH]7=[CH]8C[C@H]1C2)C.[Ru]12345678([cH]9[cH]1[cH]2[cH]3[c]14cccc[c]591)[C]1(=[CH]6C[C@H]2[CH]7=[CH]8C[C@@H]1C2)C
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	10.3078 ± 0.0006 Å
b	10.4979 ± 0.0004 Å
c	14.5178 ± 0.0012 Å
α	90°
β	109.452 ± 0.003°
γ	90°
Cell volume	1481.3 ± 0.16 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	0.909
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.	1512066.cif
87206	2013-07-14	cif/ Adding structures of 1512065, 1512066, 1512067, 1512068, 1512069, 1512070, 1512071, 1512072, 1512073 via cif-deposit CGI script.	1512066.cif