Crystallography Open Database

Information card for entry 7053168

Preview

Coordinates	7053168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Ru
Calculated formula	C18 H28 Ru
SMILES	[Ru]12345678(C[C]1(=[C]2(CC[CH]3=[CH]4C5)C)C)[CH]1=[CH]6CC[CH]7=[CH]8CC1
Title of publication	Cross-dimerisation between different cisoid- and transoid-1,3-dienes at a ruthenium(0) centre
Authors of publication	Hirano, Masafumi; Inoue, Haruka; Okamoto, Takuya; Ueda, Takao; Komine, Nobuyuki; Komiya, Sanshiro; Wang, Xian-qi; Bennett, Martin A.
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	11
Pages of publication	3433
a	8.852 ± 0.006 Å
b	14.382 ± 0.009 Å
c	24.096 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	3068 ± 3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180085 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/31.	7053168.cif
90675	2013-11-18	cif/ Adding structures of 7053167, 7053168 via cif-deposit CGI script.	7053168.cif