Information card for entry 4312606

Structure parameters

• Formula: C15 H26 B2 N6 Ni
• Calculated formula: C15 H26 B2 N6 Ni
• SMILES: [Ni]1234([n]6n(c(cc6C)C)[BH](n6[n]1c(cc6C)C)n1[n]2c(cc1C)C)[H][BH]([H]3)[H]4
• Title of publication: A Stable Monomeric Nickel Borohydride
• Authors of publication: Patrick J. Desrochers; Stacey LeLievre; Rosemary J. Johnson; Brian T. Lamb; Andrea L. Phelps; A. W. Cordes; Weiwei Gu; Stephen P. Cramer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7945 - 7950
• a: 13.469 ± 0.009 Å
• b: 7.74 ± 0.0011 Å
• c: 18.851 ± 0.002 Å
• α: 90°
• β: 107.605 ± 0.009°
• γ: 90°
• Cell volume: 1873.2 ± 1.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0878
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No