Crystallography Open Database

Information card for entry 2012069

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Structure parameters

Chemical name	1,1'-bis(nido-decaboranyl)
Formula	B20 H26
Calculated formula	B20 H26
SMILES	[B]1234([BH]567[BH]891[BH]1%102[BH]2%119[BH]978[BH]76([BH]35([BH]34%10[BH]12([H]%11)[H]3)[H]7)[H]9)[B]1234[BH]567[BH]891[BH]1%102[BH]2%119[BH]978[BH]76([BH]35([BH]34%10[BH]12([H]%11)[H]3)[H]7)[H]9
Title of publication	Isomeric icosaboranes B~20~H~26~: the synchrotron structure of 1,1'-bis(<i>nido</i>-decaboranyl)
Authors of publication	Bould, Jonathan; William Clegg; Kennedy, John D.; Simon J. Teat
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	7
Pages of publication	779 - 780
a	10.6601 ± 0.0005 Å
b	10.5515 ± 0.0005 Å
c	14.5604 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1637.75 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	2
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.689 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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