Crystallography Open Database

Information card for entry 4088279

Preview

Coordinates	4088279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H68 Cl2 P2 Ru
Calculated formula	C37 H68 Cl2 P2 Ru
SMILES	[Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)=C
Title of publication	Sterically Driven Olefin Metathesis: The Impact of Alkylidene Substitution on Catalyst Activity
Authors of publication	Lummiss, Justin A. M.; Perras, Frédéric A.; McDonald, Robert; Bryce, David L.; Fogg, Deryn E.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	5
Pages of publication	691
a	10.2601 ± 0.0002 Å
b	10.6107 ± 0.0002 Å
c	18.071 ± 0.0003 Å
α	100.204 ± 0.0008°
β	98.7088 ± 0.0009°
γ	96.6684 ± 0.0009°
Cell volume	1893.12 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0273
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237435 (current)	2019-11-24	cif/ Adding structures of 4088279 via cif-deposit CGI script.	4088279.cif