Crystallography Open Database

Information card for entry 7053167

Preview

Coordinates	7053167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H23 N Ru
Calculated formula	C15 H23 N Ru
SMILES	[Ru]123456([N]#CC)([CH2]=[CH]1[CH]2=[CH]3C)[CH]1=[CH]4CC[CH]5=[CH]6CC1
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	12.7069 ± 0.0013 Å
b	11.0731 ± 0.0008 Å
c	20.3584 ± 0.0016 Å
α	90°
β	101.572 ± 0.005°
γ	90°
Cell volume	2806.3 ± 0.4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.2931
Goodness-of-fit parameter for all reflections included in the refinement	1.29
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
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.	7053167.cif
90675	2013-11-18	cif/ Adding structures of 7053167, 7053168 via cif-deposit CGI script.	7053167.cif