Crystallography Open Database

Information card for entry 1567870

Preview

Coordinates	1567870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H45 Cl2 N O Ru S2
Calculated formula	C36 H45 Cl2 N O Ru S2
SMILES	c12c(ccc(c1S[Ru]1(=C3C(C)(C)CC(C)(C)N3c3c(cccc3C(C)C)C(C)C)(=Cc3ccccc3[O]1C(C)C)S2)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	15.6535 ± 0.0012 Å
b	12.8229 ± 0.0009 Å
c	17.9202 ± 0.0015 Å
α	90°
β	100.381 ± 0.004°
γ	90°
Cell volume	3538.1 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1636
Residual factor for significantly intense reflections	0.1108
Weighted residual factors for significantly intense reflections	0.2393
Weighted residual factors for all reflections included in the refinement	0.277
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
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.	1567870.cif
278861	2022-10-29	cif/ Adding structures of 1567867, 1567868, 1567869, 1567870, 1567871, 1567872 via cif-deposit CGI script.	1567870.cif