Information card for entry 4103467

Structure parameters

• Formula: C18 H50 B20 Cr N4
• Calculated formula: C18 H50 B20 Cr N4
• SMILES: [BH]1234[C]5678[BH]9%10%11[BH]%12%135[C]516([Cr]1([N](=C7NC(C)C)C(C)C)[C]67%14%15[BH]%16%17%18[BH]%19%20%21[BH]%22%23%24[BH]%256([C]%14%18%21%23C(=[N]1C(C)C)NC(C)C)[BH]16%24[BH]%14%20%22[BH]%18%17%19[BH]%177%16[BH]%15%251[BH]6%14%18%17)[BH]16%13[BH]79%12[BH]9%12%11[BH]28%10[BH]249[BH]351[BH]67%122
• 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: 13.749 ± 0.003 Å
• b: 8.1504 ± 0.0016 Å
• c: 15.296 ± 0.003 Å
• α: 90°
• β: 103.1 ± 0.03°
• γ: 90°
• Cell volume: 1669.5 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No