Information card for entry 7007357

Structure parameters

• Common name: [1,6'-(nido-B10H13)2]
• Formula: B20 H26
• Calculated formula: B20 H26
• SMILES: [B]1234([BH]567[BH]891[BH]1%102[BH]29%11[BH]789[H][BH]679[H][BH]357[BH]34%10[H][BH]123[H]%11)[B]1234[BH]567[BH]89%10[BH]6%11%12[BH]69%13[BH]9%12([BH]25%11[H]3)[H][BH]269[H][BH]28%13[BH]17%10[H]4
• Title of publication: Macropolyhedral boron-containing cluster chemistry. A synthetic approach via the auto-fusion of [6,9-(SMe2)2-arachno-B10H12].
• Authors of publication: Bould, Jonathan; Dörfler, Udo; Rath, Nigam P.; Barton, Lawrence; Kilner, Colin A.; Londesborough, Michael G. S.; Ormsby, Daniel L.; Kennedy, John D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 31
• Pages of publication: 3752 - 3765
• a: 11.3252 ± 0.0003 Å
• b: 14.045 ± 0.0004 Å
• c: 20.8013 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3308.71 ± 0.17 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: 0.0808
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No