Information card for entry 4070917

Structure parameters

• Formula: C55 H80 Ca N4 O P
• Calculated formula: C55 H80 Ca N4 O P
• Title of publication: Heavier Group 2 Element Catalyzed Hydrophosphination of Carbodiimides
• Authors of publication: Crimmin, Mark R.; Barrett, Anthony G. M.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 497
• a: 13.2577 ± 0.0002 Å
• b: 14.4217 ± 0.0003 Å
• c: 28.4727 ± 0.0004 Å
• α: 90°
• β: 103.202 ± 0.001°
• γ: 90°
• Cell volume: 5300.06 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0684
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No