Information card for entry 4103466

Structure parameters

• Formula: C18 H48 B20 N4 Sn
• Calculated formula: C18 H50 B20 N4 Sn
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[C]%14379[C]34%11([BH]471[BH]125[BH]268[BH]5%10%12[BH]%1334[BH]7125)[Sn]1([N](=C%14NC(C)C)C(C)C)[C]2345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%152([C]48%11%13C(=[N]1C(C)C)NC(C)C)[BH]12%14[BH]4%10%12[BH]879[BH]736[BH]5%151[BH]2487
• Title of publication: Carboranylamidinates
• Authors of publication: Peter Dröse; Cristian G. Hrib; Frank T. Edelmann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15540 - 15541
• a: 22.79 ± 0.005 Å
• b: 7.8311 ± 0.0016 Å
• c: 19.215 ± 0.004 Å
• α: 90°
• β: 101.3 ± 0.03°
• γ: 90°
• Cell volume: 3362.8 ± 1.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No