Information card for entry 1519682

Structure parameters

• Formula: C14 H30 B18 Ni
• Calculated formula: C15 B17 Ni
• SMILES: [Ni]12345678([CH]9%10%11[CH]%12%131[BH]1%14%11[BH]%11%15%10[BH]%1039[BH]39%11[BH]%111%15[BH]1%13%14[BH]%137%12[BH]8%103[BH]9%111%13)[CH]137[CH]892[BH]2%105[BH]5%118[BH]879[BH]793[BH]341[BH]162[BH]273[BH]%1051[BH]%11892.c1cccc2ccccc12
• 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: 9.825 ± 0.007 Å
• b: 13.257 ± 0.01 Å
• c: 18.114 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2359 ± 3 ų
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No