Information card for entry 7232643

Structure parameters

• Formula: C88 H92 B2 N12 Ni2 O4
• Calculated formula: C88 H92 B2 N12 Ni2 O4
• 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: 16.7786 ± 0.0013 Å
• b: 11.9023 ± 0.0009 Å
• c: 21.251 ± 0.0019 Å
• α: 90°
• β: 105.676 ± 0.002°
• γ: 90°
• Cell volume: 4086.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No