Crystallography Open Database

Information card for entry 4322938

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Coordinates	4322938.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,2,3-{C5Me5Ru}3B3H8
Formula	C30 H53 B3 Ru3
Calculated formula	C30 H53 B3 Ru3
Title of publication	Synthesis and Characterization of Cp3Ru3B3H8, Cp = η5-C5Me5, Exhibiting a Capped Nido Geometry. Cluster Geometry Driven by Hydrogen Bridging
Authors of publication	Xinjian Lei; Maoyu Shang; Thomas P. Fehlner
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	3900 - 3901
a	8.4142 ± 0.0007 Å
b	11.0943 ± 0.0016 Å
c	18.1697 ± 0.0019 Å
α	90.023 ± 0.008°
β	95.992 ± 0.008°
γ	107.529 ± 0.009°
Cell volume	1607.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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