Information card for entry 2012069

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 ų
• 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 Fobs: Yes