Information card for entry 4103468

Structure parameters

• Formula: C18 H50 B20 Cl2 Cr2 N4
• Calculated formula: C18 H50 B20 Cl2 Cr2 N4
• SMILES: [BH]1234[BH]567[C]89%101C(=[N](C(C)C)[Cr]1([Cl][Cr]%11([C]%12%13%14%15[BH]%16%17%18[BH]%19%20%21[BH]%22%23%24[BH]%25%12([C]%14%18%21%23C(=[N]%11C(C)C)NC(C)C)[BH]%11%12%24[BH]%14%20%22[BH]%18%17%19[BH]%17%13%16[BH]%15%25%11[BH]%12%14%18%17)[Cl]1)[C]1%114%10[BH]4%109[BH]958[BH]587[BH]736[BH]321[BH]1%11%10[BH]495[BH]8731)NC(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: 10.378 ± 0.002 Å
• b: 11.887 ± 0.002 Å
• c: 15.418 ± 0.003 Å
• α: 90°
• β: 103.29 ± 0.03°
• γ: 90°
• Cell volume: 1851.1 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No