Crystallography Open Database

Information card for entry 4116298

Preview

Coordinates	4116298.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	{(C5Me5)Ru}2B4H10
Formula	C20 H40 B4 Ru2
Calculated formula	C20 H40 B4 Ru2
SMILES	[Ru]123456789([Ru]%10%11%12%13%14%15%16([H]1)([BH]12([BH]23([BH]34([BH]5%10([H]3)[H]%12)[H]2)[H]1)[H]%11)[c]1([c]%13([c]%14([c]%15([c]%161C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
Title of publication	Chemistry of Dimetallaboranes Derived from the Reaction of [CpMCl2]2 with Monoboranes (M = Ru, Rh; Cp = η5-C5Me5)
Authors of publication	Xinjian Lei; Maoyu Shang; Thomas P. Fehlner
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	1275 - 1287
a	34.003 ± 0.003 Å
b	34.003 ± 0.003 Å
c	8.3206 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	9620.3 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for all reflections	0.0879
Weighted residual factors for significantly intense reflections	0.0658
Goodness-of-fit parameter for all reflections	1.067
Goodness-of-fit parameter for significantly intense reflections	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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