Crystallography Open Database

Information card for entry 7243968

Preview

Coordinates	7243968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H43 Cl2 N3 O3 Ru S
Calculated formula	C37 H43 Cl2 N3 O3 Ru S
SMILES	[Ru]1(Cl)([O](c2c(C=1)cccc2)CCNS(=O)(=O)c1ccc(cc1)C)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)Cl
Title of publication	Highly efficient Ru(ii)–alkylidene based Hoveyda–Grubbs catalysts for ring-closing metathesis reactions
Authors of publication	Al-Enezi, Mariam Y.; John, Elizabeth; Ibrahim, Yehia A.; Al-Awadi, Nouria A.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	60
Pages of publication	37866 - 37876
a	28.642 ± 0.0005 Å
b	28.642 ± 0.0005 Å
c	24.4463 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	17368 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1513
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
270872 (current)	2021-11-25	cif/ Adding structures of 7243967, 7243968, 7243969 via cif-deposit CGI script.	7243968.cif