Information card for entry 4084981

Structure parameters

• Formula: C25 H20 Cl4 P2
• Calculated formula: C25 H20 Cl4 P2
• SMILES: ClCCl.P1(=P(Cl)(Cl)c2c3c4c(cc2)CCc4ccc13)(c1ccccc1)c1ccccc1
• Title of publication: Probing Donor‒Acceptor Interactions inperi-Substituted Diphenylphosphinoacenaphthyl‒Element Dichlorides of Group 13 and 15 Elements
• Authors of publication: Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Chęcińska, Lilianna; Beckmann, Jens
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7247
• a: 10.149 ± 0.002 Å
• b: 17.806 ± 0.004 Å
• c: 14.673 ± 0.003 Å
• α: 90°
• β: 102.06 ± 0.03°
• γ: 90°
• Cell volume: 2593.1 ± 1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0511
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No