Information card for entry 4071672

Structure parameters

• Common name: [(thf)2Ca{Pic(Se)PPh2}2]
• Chemical name: Bis[diphenyl-(2-picolyl)phosphan selenide]calcium
• Formula: C52 H62 Ca N2 O4 P2 Se2
• Calculated formula: C52.0056 H62.0112 Ca N2 O4 P2 Se2
• Title of publication: Heteroaromatic Substituted Phosphoranes with Enhanced Hemilabile Character
• Authors of publication: Kling, Christian; Ott, Holger; Schwab, Gerald; Stalke, Dietmar
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 5038
• a: 27.69 ± 0.002 Å
• b: 9.1573 ± 0.0007 Å
• c: 19.4842 ± 0.0014 Å
• α: 90°
• β: 96.946 ± 0.001°
• γ: 90°
• Cell volume: 4904.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No