Information card for entry 7716859

Structure parameters

• Formula: C204 H199 Al2 N4 Ni2 O4 P10
• Calculated formula: C192 H187 Al2 N4 Ni2 O4 P10
• 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, Sam; Chen, Haoyuan; Shoshani, Manar M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 47
• Pages of publication: 18932 - 18945
• a: 17.4356 ± 0.0002 Å
• b: 48.598 ± 0.0006 Å
• c: 20.8299 ± 0.0002 Å
• α: 90°
• β: 90.369 ± 0.001°
• γ: 90°
• Cell volume: 17649.5 ± 0.3 ų
• Cell temperature: 100.02 ± 0.16 K
• Ambient diffraction temperature: 100.02 ± 0.16 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No