Crystallography Open Database

Information card for entry 1565582

Preview

Coordinates	1565582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H44 B9 Cl P2 Ru
Calculated formula	C32 H44 B9 Cl P2 Ru
Title of publication	Synthesis and Catalytic Properties of Novel Ruthenacarboranes Based on nido-[5-Me-7,8-C2B9H10]2− and nido-[5,6-Me2-7,8-C2B9H9]2− Dicarbollide Ligands
Authors of publication	Grishin, Ivan D.; Zimina, Anastasiya M.; Anufriev, Sergey A.; Knyazeva, Nadezhda A.; Piskunov, Alexander V.; Dolgushin, Fedor M.; Sivaev, Igor B.
Journal of publication	Catalysts
Year of publication	2021
Journal volume	11
Journal issue	11
Pages of publication	1409
a	16.8803 ± 0.001 Å
b	20.5774 ± 0.0012 Å
c	20.9312 ± 0.0012 Å
α	90°
β	106.242 ± 0.002°
γ	90°
Cell volume	6980.3 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0769
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
271241 (current)	2021-12-07	cif/ Adding structures of 1565582 via cif-deposit CGI script.	1565582.cif