Information card for entry 4103464

Structure parameters

• Formula: C13 H35 B10 Li N2 O2
• Calculated formula: C13 H35 B10 Li N2 O2
• SMILES: [Li]12([O](CC[O]1C)C)[N](=C(NC(C)C)[C]1345[C]6782[BH]291[BH]1%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]391[BH]172[BH]845[BH]6%1131)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: 8.3125 ± 0.0017 Å
• b: 8.8541 ± 0.0018 Å
• c: 15.564 ± 0.003 Å
• α: 84.9 ± 0.03°
• β: 86.31 ± 0.03°
• γ: 81.66 ± 0.03°
• Cell volume: 1127.4 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No