Information card for entry 4084974

Structure parameters

• Formula: C25 H20 B Cl4 P
• Calculated formula: C25 H20 B Cl4 P
• SMILES: C(Cl)Cl.c1c2CCc3ccc4c(c23)c(c1)[P](c1ccccc1)(c1ccccc1)[B]4(Cl)Cl
• 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: 10.188 ± 0.001 Å
• b: 15.934 ± 0.002 Å
• c: 14.79 ± 0.001 Å
• α: 90°
• β: 97.96 ± 0.01°
• γ: 90°
• Cell volume: 2377.8 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.056
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No