Information card for entry 4303285

Structure parameters

• Formula: C10 H38 B18 N Ni
• Calculated formula: C10 H38 B18 N Ni
• SMILES: [BH]1234[BH]567[BH]892[BH]2%10%11[CH]%1248[Ni]48%13%14%15%161([BH]1%17%18[BH]%19%20%21[BH]%22%23%24[CH]%14%18%20[C]%14%16%22([BH]%16%184[BH]4%131[BH]1%17%19[BH]%13%21%23[BH]%24%14%16[BH]%1841%13)C)[BH]14%13[BH]358[BH]37%13[BH]69%10[BH]%1143[C]2%12%151C.C[N+](C)(C)C
• Title of publication: Toward Unidirectional Rotary Motion in Nickelacarboranes: Characterization of Diastereomeric Nickel Bis(Dicarbollide) Complexes Derived from the [Nido-7-CH3-7,8-C2B9H11]- Anion
• Authors of publication: Robert D. Kennedy; Carolyn B. Knobler; M. Frederick Hawthorne
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9377 - 9384
• a: 10.0649 ± 0.0011 Å
• b: 10.8581 ± 0.0012 Å
• c: 22.268 ± 0.002 Å
• α: 90°
• β: 101.996 ± 0.002°
• γ: 90°
• Cell volume: 2380.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No