Information card for entry 7101327

Structure parameters

• Formula: C22 H56 N3 Sc Si3
• Calculated formula: C22 H56 N3 Sc Si3
• SMILES: [Sc]12([N](C)(C)C3(C[N]1(C)CC[N]2(C)C3)C)(C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: The 6-amino-6-methyl-1,4-diazepine group as ancillary ligand framework for neutral and cationic scandium and yttrium alkyls
• Authors of publication: Bart Hessen; Sergio Bambirra; Shaozhong Ge; Auke Meetsma
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 31
• a: 18.418 ± 0.001 Å
• b: 17.99 ± 0.001 Å
• c: 18.694 ± 0.001 Å
• α: 90°
• β: 95.799 ± 0.001°
• γ: 90°
• Cell volume: 6162.4 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.1162
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No