Information card for entry 7000843

Structure parameters

• Formula: C14 H24 B10 N2 Sn
• Calculated formula: C14 H24 B10 N2 Sn
• SMILES: [Sn]123456([C]78([BH]91[C]1%103([BH]3%119[BH]9%128[BH]827[BH]274[BH]498[BH]83%12[BH]3%10%11[BH]512[BH]7483)C)C)[n]1ccccc1c1[n]6cccc1
• Title of publication: Adducts of the supraicosahedral stannacarborane 1,6-Me2-4,1,6-closo-SnC2B10H10; synthetic, structural and computational studies
• Authors of publication: Abram, Peter D.; McKay, David; Ellis, David; Macgregor, Stuart A.; Rosair, Georgina M.; Sancho, Rodrigo; Welch, Alan J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 13
• Pages of publication: 2345 - 2351
• a: 7.9073 ± 0.0008 Å
• b: 16.9367 ± 0.0014 Å
• c: 14.7949 ± 0.0013 Å
• α: 90°
• β: 95.924 ± 0.004°
• γ: 90°
• Cell volume: 1970.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No