Information card for entry 7053454

Structure parameters

• Formula: C37.5 H65 Ca N3 Si2
• Calculated formula: C37.5 H65 Ca N3 Si2
• Title of publication: Synthesis of β-diketiminato calcium silylamides and their reactions with triethylaluminium
• Authors of publication: Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.; Mahon, Mary F.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1572
• a: 26.9889 ± 0.0011 Å
• b: 26.9889 ± 0.0011 Å
• c: 11.5798 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8434.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1658
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No