Information card for entry 4111108

Structure parameters

• Common name: DIPPnacnacCaOH-OCPh2
• Formula: C45 H55 Ca N2 O2
• Calculated formula: C45 H55 Ca N2 O2
• Title of publication: A Well-Defined Hydrocarbon-Soluble Calcium Hydroxide: Synthesis, Structure, and Reactivity
• Authors of publication: Christian Ruspic; Sharanappa Nembenna; Anja Hofmeister; Jörg Magull; Sjoerd Harder; Herbert W. Roesky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 15000 - 15004
• a: 12.772 ± 0.0003 Å
• b: 13.1364 ± 0.0003 Å
• c: 14.9127 ± 0.0004 Å
• α: 94.776 ± 0.001°
• β: 111.066 ± 0.001°
• γ: 116.428 ± 0.001°
• Cell volume: 2000.27 ± 0.09 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71071 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No