Crystallography Open Database

Information card for entry 1565583

Preview

Coordinates	1565583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H41 B9 Cl P2 Ru
Calculated formula	C32 H41 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	13.9369 ± 0.0018 Å
b	12.4716 ± 0.0016 Å
c	20.085 ± 0.003 Å
α	90°
β	93.786 ± 0.004°
γ	90°
Cell volume	3483.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0715
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.177
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
271242 (current)	2021-12-07	cif/ Adding structures of 1565583 via cif-deposit CGI script.	1565583.cif