Information card for entry 4111066

Structure parameters

• Common name: bis(iminophosphorano)methandiide-Calcium.(2 Adamantyl-CN)2
• Formula: C180 H224 Ca4 N12 P8 Si8
• Calculated formula: C180 H224 Ca4 N12 P8 Si8
• Title of publication: Synthesis, Structure, and Reactivity of a Stabilized Calcium Carbene: R2CCa
• Authors of publication: Lars Orzechowski; Georg Jansen; Sjoerd Harder
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 14676 - 14684
• a: 91.647 ± 0.003 Å
• b: 19.2995 ± 0.0007 Å
• c: 20.5818 ± 0.0007 Å
• α: 90°
• β: 100.163 ± 0.0016°
• γ: 90°
• Cell volume: 35833 ± 2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.2364
• Weighted residual factors for all reflections included in the refinement: 0.2412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No