Information card for entry 7135258

Structure parameters

• Formula: C33 H66 Al Ca N5 Si4
• Calculated formula: C33 H66 Al Ca N5 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: 12.6499 ± 0.0012 Å
• b: 15.8975 ± 0.0017 Å
• c: 20.806 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4184.1 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No