Crystallography Open Database

Information card for entry 7713274

Preview

Coordinates	7713274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H38 Cl2 N2 O Ru S
Calculated formula	C31 H38 Cl2 N2 O Ru S
SMILES	[Ru]12(Cl)(Cl)([S](CC[O]1c1c(cccc1)C=2)C)=C1N(c2c(cc(cc2C)C)C)CCN1c1c(cc(cc1C)C)C
Title of publication	Reactivity regulation for olefin metathesis-catalyzing ruthenium complexes with sulfur atoms at the terminal of 2-alkoxybenzylidene ligands.
Authors of publication	Kinugawa, Tsubasa; Matsuo, Takashi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	13.1608 ± 0.0002 Å
b	10.8969 ± 0.0002 Å
c	21.8863 ± 0.0004 Å
α	90°
β	103.35 ± 0.007°
γ	90°
Cell volume	3053.94 ± 0.13 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103.15 K
Number of distinct elements	7
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	0.0335
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.231
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284615 (current)	2023-06-29	cif/ Adding structures of 7713274, 7713275 via cif-deposit CGI script.	7713274.cif