Information card for entry 4303287

Structure parameters

• Formula: C6 H26 B18 Ni
• Calculated formula: C6 H26 B18 Ni
• SMILES: [Ni]12345678([C]9%10%11(C)[CH]%12%131[BH]1%14%11[BH]%11%15%10[BH]%1029[BH]294[BH]43%12[BH]3%13%14[BH]%121%15[BH]%11%102[BH]943%12)[C]123(C)[CH]495[BH]5%103[BH]3%112[BH]261[BH]168[BH]874[BH]49%10[BH]75%11[BH]321[BH]6847
• 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: 13.2839 ± 0.0012 Å
• b: 13.4258 ± 0.0012 Å
• c: 19.9942 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3565.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No