Information card for entry 4348752

Structure parameters

• Formula: C48 H68 P2 Sn
• Calculated formula: C48 H68 P2 Sn
• SMILES: [Sn](P(c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)P(c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 13.9682 ± 0.0003 Å
• b: 17.3921 ± 0.0003 Å
• c: 18.5886 ± 0.0004 Å
• α: 90°
• β: 90.5139 ± 0.0018°
• γ: 90°
• Cell volume: 4515.66 ± 0.16 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No