Crystallography Open Database

Information card for entry 1573582

Preview

Coordinates	1573582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H40 Cl2 N2 O Ru S2
Calculated formula	C41 H40 Cl2 N2 O Ru S2
Title of publication	Modifications of substituents on the chelating oxygen atom in stereoretentive Hoveyda–Grubbs-type complexes and their influence on catalytic properties
Authors of publication	Matveeva, Maria; Trzaskowski, Bartosz; Kajetanowicz, Anna
Journal of publication	Catalysis Science & Technology
Year of publication	2025
Journal volume	15
Journal issue	3
Pages of publication	783 - 793
a	8.31031 ± 0.00008 Å
b	20.0084 ± 0.0002 Å
c	44.3627 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7376.45 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297982 (current)	2025-03-04	cif/ Updating files of 1573582 Original log message: Adding full bibliography for 1573582.cif.	1573582.cif
297142	2025-01-07	cif/ Adding structures of 1573582 via cif-deposit CGI script.	1573582.cif