Information card for entry 7135261

Structure parameters

• Formula: C40.3 H83.7 Al Ca N5 O Si4
• Calculated formula: C37 H76 Al Ca N5 O 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: 11.049 ± 0.0001 Å
• b: 19.6928 ± 0.0003 Å
• c: 23.4848 ± 0.0003 Å
• α: 90°
• β: 98.614 ± 0.001°
• γ: 90°
• Cell volume: 5052.32 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0784
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No