Crystallography Open Database

Information card for entry 4069768

Preview

Coordinates	4069768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 N2 O4 Ru
Calculated formula	C20 H30 N2 O4 Ru
SMILES	[Ru]1234([N]#CC)([N]#CC)([C@@H](CC[C@H]1C(=O)OC)C(=O)OC)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[Ru]1234([N]#CC)([N]#CC)([C@H](CC[C@@H]1C(=O)OC)C(=O)OC)[CH]1=[CH]2CC[CH]3=[CH]4CC1
Title of publication	Isolation oftrans-2,5-Bis(methoxycarbonyl)ruthenacyclopentane by Oxidative Coupling of Methyl Acrylate on Ruthenium(0) as an Active Intermediate for Tail-to-Tail Selective Catalytic Dimerization
Authors of publication	Hirano, Masafumi; Sakate, Yumiko; Komine, Nobuyuki; Komiya, Sanshiro; Bennett, Martin A.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	4902
a	22.828 ± 0.005 Å
b	14.256 ± 0.003 Å
c	15.801 ± 0.004 Å
α	90°
β	127.721 ± 0.002°
γ	90°
Cell volume	4067.5 ± 1.6 Å³
Cell temperature	200 K
Number of distinct elements	5
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	0.035
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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
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.	4069768.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069768.cif
40438	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069768 via cif-deposit CGI script.	4069768.cif