Crystallography Open Database

Information card for entry 7129334

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Coordinates	7129334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H47 B20 Cl P2 Ru
Calculated formula	C30.5 H47 B20 Cl P2 Ru
Title of publication	C,Cʹ-Ru to C,Bʹ-Ru Isomerisation in Bis(phosphine)Ru Complexes of [1,1ʹ-Bis(ortho-carborane)]
Authors of publication	Jeans, Rebekah; Rosair, Georgina; Welch, Alan Jeffrey
Journal of publication	Chemical Communications
Year of publication	2021
a	38.4205 ± 0.0009 Å
b	10.5927 ± 0.0002 Å
c	21.1877 ± 0.0005 Å
α	90°
β	111.387 ± 0.001°
γ	90°
Cell volume	8029.1 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0214
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.0531
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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