Crystallography Open Database

Information card for entry 4078692

Preview

Coordinates	4078692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 O2 Ru
Calculated formula	C20 H30 O2 Ru
SMILES	[Ru]12345678(C[C]1(=[C]2(C[C]4(C3)=[CH]5C(=O)OCC)C)C)[CH]1=[CH]6CC[CH]7=[CH]8CC1
Title of publication	Stoichiometric Carbon‒Carbon Bond Forming Reaction of 1,3-Diene with 1,2-Diene in a Ruthenium(0) Complex
Authors of publication	Hirano, Masafumi; Okamoto, Takuya; Komine, Nobuyuki; Komiya, Sanshiro
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	13
Pages of publication	4639
a	7.24 ± 0.0018 Å
b	9.098 ± 0.003 Å
c	14.711 ± 0.005 Å
α	88.652 ± 0.011°
β	80.572 ± 0.01°
γ	67.346 ± 0.007°
Cell volume	881.3 ± 0.5 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	0.686
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
178675 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/86.	4078692.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078692.cif
66367	2012-09-09	cif/ Adding structures of 4078692, 4078693 via cif-deposit CGI script.	4078692.cif