Information card for entry 7025980

Structure parameters

• Formula: C52 H76 Ca2 F4 N12
• Calculated formula: C52 H74 Ca2 F4 N12
• Title of publication: Carbodiimide insertion reactions of homoleptic heavier alkaline earth amides and phosphides.
• Authors of publication: Barrett, Anthony G. M.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.; Lomas, Sarah L.; Mahon, Mary F.; Procopiou, Panayiotis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 31
• Pages of publication: 7393 - 7400
• a: 10.7164 ± 0.0002 Å
• b: 14.787 ± 0.0002 Å
• c: 18.3215 ± 0.0003 Å
• α: 85.925 ± 0.001°
• β: 80.722 ± 0.001°
• γ: 79.709 ± 0.001°
• Cell volume: 2816.54 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No