Information card for entry 1519683

Structure parameters

• Formula: C20 H32 B18 Ni
• Calculated formula: C20 B18 Ni
• SMILES: [Ni]12345678([CH]9%10%11[CH]%12%131[BH]1%14%11[BH]%11%15%10[BH]%1039[BH]395[BH]54%12[BH]4%13%14[BH]%121%15[BH]%11%103[BH]954%12)[CH]134[CH]592[BH]2%104[BH]4%113[BH]361[BH]168[BH]875[BH]59%10[BH]72%11[BH]431[BH]6857.c12cccc3c2c2c(cc1)cccc2cc3
• Title of publication: Structural Characterization of Charge Transfer Complexes of the Nickel(IV) Bis(3,1,2-dicarbollyl) Sandwich Compound
• Authors of publication: Schubert, David M.; Harwell, David E.; Knobler, Carolyn B.; Hawthorne, M. Frederick
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1999
• Journal volume: 53
• Pages of publication: 721 - 730
• a: 6.967 ± 0.001 Å
• b: 14.804 ± 0.002 Å
• c: 26.2 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2702.3 ± 0.7 ų
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No