Information card for entry 7232645

Structure parameters

• Formula: C96 H94 B2 N12 Ni2 S2
• Calculated formula: C96 H94 B2 N12 Ni2 S2
• Title of publication: Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride
• Authors of publication: Angamuthu, Raja; Raje, Sakthi
• Journal of publication: Green Chemistry
• Year of publication: 2019
• a: 10.8252 ± 0.0014 Å
• b: 11.8798 ± 0.0016 Å
• c: 17.529 ± 0.003 Å
• α: 70.982 ± 0.004°
• β: 72.243 ± 0.003°
• γ: 78.092 ± 0.003°
• Cell volume: 2015.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.178
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No