Information card for entry 4348756

Structure parameters

• Formula: C48 H68 P2
• Calculated formula: C48 H68 P2
• Title of publication: Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R₂P)₂E (E = Ge, Sn).
• Authors of publication: Izod, Keith; Evans, Peter; Waddell, Paul G.; Probert, Michael R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10510 - 10522
• a: 13.33377 ± 0.0001 Å
• b: 18.41362 ± 0.00015 Å
• c: 17.51452 ± 0.00014 Å
• α: 90°
• β: 99.2959 ± 0.0008°
• γ: 90°
• Cell volume: 4243.74 ± 0.06 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 3
• 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: 0.0471
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No