Crystallography Open Database

Information card for entry 7243967

Preview

Coordinates	7243967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H43 Cl2 N3 O3 Ru
Calculated formula	C38 H43 Cl2 N3 O3 Ru
SMILES	[Ru]1([O](c2c(C=1)cccc2)CCOc1ccccc1NC(=O)C)(=C1N(CCN1c1c(cc(C)cc1C)C)c1c(cc(cc1C)C)C)(Cl)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	8.8611 ± 0.0004 Å
b	10.6837 ± 0.0005 Å
c	19.3949 ± 0.001 Å
α	74.511 ± 0.002°
β	87.898 ± 0.002°
γ	89.558 ± 0.002°
Cell volume	1768.22 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0282
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	7243967.cif