Information card for entry 7135259

Structure parameters

• Formula: C54 H96 Al2 Ca N8 Si4
• Calculated formula: C54 H96 Al2 Ca N8 Si4
• Title of publication: Intriguing Metal-Ligand Interplays Leading to Diverse Al-H-M (M = Mg, Ca) Heterobimetallic Hydrides on a Picolyl-Based 3N Ligand
• Authors of publication: Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 11.6207 ± 0.0001 Å
• b: 25.9517 ± 0.0001 Å
• c: 21.1162 ± 0.0001 Å
• α: 90°
• β: 100.348 ± 0.001°
• γ: 90°
• Cell volume: 6264.58 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No