Information card for entry 7007355

Structure parameters

• Common name: (5-(SMe2)-nido-B10H12)
• Formula: C2 H18 B10 S
• Calculated formula: C2 H18 B10 S
• SMILES: [BH]1234[BH]567[BH]891[BH]1%102[BH]2%119[B]78([BH]76[BH]35([H]7)[BH]34%10[BH]1%11([H]2)[H]3)[S](C)C
• 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: 5.7777 ± 0.0004 Å
• b: 12.9809 ± 0.0008 Å
• c: 15.0483 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1128.62 ± 0.11 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No