Crystallography Open Database

Information card for entry 4083930

Preview

Coordinates	4083930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H38 O6 P2 Ru S2
Calculated formula	C51 H38 O6 P2 Ru S2
SMILES	[Ru]234([P](c5c(S(=[O]2)(O3)=O)cccc5)(c1ccccc1)c1ccccc1)([P](c1c(S(=O)(=O)O4)cccc1)(c1ccccc1)c1ccccc1)=C=C=C(c1ccccc1)c1ccccc1
Title of publication	18-Electron Ruthenium Phosphine Sulfonate Catalysts for Olefin Metathesis
Authors of publication	Bashir, Oumar; Piche, Laurence; Claverie, Jerome P.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	14
Pages of publication	3695
a	10.3632 ± 0.0008 Å
b	11.2217 ± 0.0009 Å
c	11.5003 ± 0.0009 Å
α	117.744 ± 0.001°
β	107.588 ± 0.001°
γ	95.622 ± 0.001°
Cell volume	1082.24 ± 0.15 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0664
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
178728 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/39.	4083930.cif
121328	2014-08-05	cif/ Updating files of 4083927, 4083928, 4083929, 4083930 Original log message: Adding full bibliography for 4083927--4083930.cif.	4083930.cif
119928	2014-07-10	cif/ Adding structures of 4083927, 4083928, 4083929, 4083930 via cif-deposit CGI script.	4083930.cif