Information card for entry 7101328

Structure parameters

• Formula: C131 H264 N12 O4 Si12 Y4
• Calculated formula: C65.5 H132 N6 O2 Si6 Y2
• 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: 10.653 ± 0.001 Å
• b: 17.454 ± 0.002 Å
• c: 21.73 ± 0.002 Å
• α: 80.864 ± 0.002°
• β: 87.771 ± 0.002°
• γ: 85.449 ± 0.002°
• Cell volume: 3975.2 ± 0.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No