Information card for entry 7051550

Structure parameters

• Formula: C20 H44 Ni P2
• Calculated formula: C20 H44 Ni P2
• Title of publication: Valence shell charge concentrations and the Dewar‒Chatt‒Duncanson bonding model
• Authors of publication: Scherer, Wolfgang; Eickerling, Georg; Shorokhov, Dmitry; Gullo, Emanuel; McGrady, G. Sean; Sirsch, Peter
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 309
• a: 8.161 ± 0.0001 Å
• b: 19.739 ± 0.0001 Å
• c: 14.516 ± 0.0001 Å
• α: 90°
• β: 104.864 ± 0.0004°
• γ: 90°
• Cell volume: 2260.13 ± 0.03 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.739
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No