Crystallography Open Database

Information card for entry 1540419

Preview

Coordinates	1540419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H73 Cl2 N2 P Ru
Calculated formula	C56 H73 Cl2 N2 P Ru
SMILES	[Ru](Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(Cl)(=C1c2c(c(ccc2)C)C(=C1)c1c(cccc1)C)=C1N(c2c(C)cc(cc2C)C)CCN1c1c(cc(cc1C)C)C
Title of publication	Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts
Authors of publication	Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis
Journal of publication	Catal. Sci. Technol.
Year of publication	2016
Journal volume	6
Journal issue	7
Pages of publication	2092
a	14.15 ± 0.0004 Å
b	14.3631 ± 0.0003 Å
c	24.5735 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4994.27 ± 0.19 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0762
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	0.905
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181521 (current)	2016-04-05	cif/ Updating files of 1540417, 1540418, 1540419 Original log message: Adding full bibliography for 1540417--1540419.cif.	1540419.cif
169731	2015-10-24	cif/ Adding structures of 1540417, 1540418, 1540419 via cif-deposit CGI script.	1540419.cif