Crystallography Open Database

Information card for entry 4069094

Preview

Coordinates	4069094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H66 Cl2 O4 P6 Ru2
Calculated formula	C32 H66 Cl2 O4 P6 Ru2
SMILES	C[P](C)(C)[Ru]([P](C)(C)C)([P](C)(C)C)(/C=C/c1c(OC)cc(/C=C/[Ru]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)(C#[O])Cl)c(OC)c1)(C#[O])Cl
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	9.5551 ± 0.0004 Å
b	11.5199 ± 0.0005 Å
c	21.744 ± 0.0009 Å
α	90°
β	97.335 ± 0.001°
γ	90°
Cell volume	2373.86 ± 0.17 Å³
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	6
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	0.0515
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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.	4069094.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069094.cif
40127	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069094 via cif-deposit CGI script.	4069094.cif