Information card for entry 4084980

Structure parameters

• Formula: C31 H26 Cl2 P Tl
• Calculated formula: C31 H26 Cl2 P Tl
• 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: 11.3829 ± 0.0003 Å
• b: 19.2451 ± 0.0006 Å
• c: 12.1133 ± 0.0004 Å
• α: 90°
• β: 94.859 ± 0.001°
• γ: 90°
• Cell volume: 2644.06 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No