Crystallography Open Database

Information card for entry 4069092

Preview

Coordinates	4069092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H61 Cl2 N O4 P6 Ru2
Calculated formula	C30 H61 Cl2 N O4 P6 Ru2
SMILES	[Ru](C#[O])(Cl)(/C=C/c1cc(c(cc1)/C=C/[Ru](C#[O])(Cl)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C)N(=O)=O)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C
Title of publication	Synthesis, Characterization, and Substituent Effects of Binuclear Ruthenium Vinyl Complexes [RuCl(CO)(PMe3)3]2(μ-CHCH−Ar−CHCH)
Authors of publication	Wu, Xiang Hua; Jin, Shan; Liang, Jin Hua; Li, Zi Yong; Yu, Guang-ao; Liu, Sheng Hua
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	8
Pages of publication	2450
a	9.9338 ± 0.0005 Å
b	35.9326 ± 0.0017 Å
c	13.3665 ± 0.0012 Å
α	90°
β	111.814 ± 0.001°
γ	90°
Cell volume	4429.5 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178507 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/90.	4069092.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069092.cif
40125	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069092 via cif-deposit CGI script.	4069092.cif