Information card for entry 4103465

Structure parameters

• Formula: C9 H26 B10 N2
• Calculated formula: C9 H26 B10 N2
• SMILES: N(=C(\NC(C)C)[C]1234[CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)\C(C)C
• 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: 6.9667 ± 0.0014 Å
• b: 15.763 ± 0.003 Å
• c: 15.394 ± 0.003 Å
• α: 90°
• β: 99.95 ± 0.03°
• γ: 90°
• Cell volume: 1665.1 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No