Information card for entry 7232647

Structure parameters

• Formula: C163 H151 B3 N12 Ni3 O7
• Calculated formula: C163 H151 B3 N12 Ni3 O7
• 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: 42.319 ± 0.003 Å
• b: 22.6 ± 0.0014 Å
• c: 15.7228 ± 0.0009 Å
• α: 90°
• β: 93.976 ± 0.004°
• γ: 90°
• Cell volume: 15001.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No