Crystallography Open Database

Information card for entry 1567867

Preview

Coordinates	1567867.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	;
Formula	C28 H37 Cl4 P
Calculated formula	C28 H37 Cl4 P
SMILES	[Cl-].Cl.[PH+](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(Cl)Cl
Title of publication	Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis
Authors of publication	Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc
Journal of publication	Catalysis Science & Technology
Year of publication	2023
Journal volume	13
Journal issue	2
Pages of publication	381 - 388
a	8.2809 ± 0.0007 Å
b	22.5668 ± 0.0016 Å
c	16.3964 ± 0.0018 Å
α	90°
β	103.932 ± 0.008°
γ	90°
Cell volume	2973.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.1398
Residual factor for significantly intense reflections	0.0988
Weighted residual factors for significantly intense reflections	0.2768
Weighted residual factors for all reflections included in the refinement	0.3098
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
281311 (current)	2023-03-04	cif/ Updating files of 1567867, 1567868, 1567869, 1567870, 1567871, 1567872 Original log message: Adding full bibliography for 1567867--1567872.cif.	1567867.cif
278861	2022-10-29	cif/ Adding structures of 1567867, 1567868, 1567869, 1567870, 1567871, 1567872 via cif-deposit CGI script.	1567867.cif