Information card for entry 7003600

Structure parameters

• Formula: C58 H89 Ca N5 O
• Calculated formula: C58 H89 Ca N5 O
• Title of publication: Insertion reactions of β-diketiminate-stabilised calcium amides with 1,3-dialkylcarbodiimides
• Authors of publication: Barrett, Anthony G. M.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 4474 - 4481
• a: 25.1755 ± 0.0003 Å
• b: 11.3831 ± 0.0002 Å
• c: 21.1589 ± 0.0003 Å
• α: 90°
• β: 113.849 ± 0.001°
• γ: 90°
• Cell volume: 5545.87 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0671
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No