Information card for entry 7716860

Structure parameters

• Formula: C65 H97 Al N4 Ni O4 P3
• Calculated formula: C65 H98 Al N4 Ni O4 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: 19.6897 ± 0.0002 Å
• b: 18.2605 ± 0.0002 Å
• c: 40.6637 ± 0.0004 Å
• α: 90°
• β: 100.044 ± 0.001°
• γ: 90°
• Cell volume: 14396.3 ± 0.3 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 K
• Number of distinct elements: 7
• 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: 0.0856
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No