Information card for entry 7716857

Structure parameters

• Formula: C76 H74 Al N2 Ni O2 P3
• Calculated formula: C76 H74 Al N2 Ni O2 P3
• Title of publication: Synthesis and Characterization of NiAl-Hydride Heterometallics: Perturbing Electron Density Within Al–H–Ni Subunits
• Authors of publication: Gonzalez, Aleida G.; Gonzalez, Fernando; De Leon, Edgardo; Birkhoff, Kaitlyn M.; Yruegas, Samantha; Chen , Haoyuan; Shoshani, Manar M.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 21.9928 ± 0.0005 Å
• b: 17.509 ± 0.0004 Å
• c: 17.8697 ± 0.0004 Å
• α: 90°
• β: 96.555 ± 0.002°
• γ: 90°
• Cell volume: 6836.1 ± 0.3 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• 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: 0.1287
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No