Information card for entry 4081721

Structure parameters

• Formula: C51 H49 B2 P3 Sn
• Calculated formula: C51 H49 B2 P3 Sn
• SMILES: [Sn]1([P](C[B](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C[P]([BH3])(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Zwitterionic Group 14 Centered Complexes: Traditional Coordination and Unusual Insertion Chemistry
• Authors of publication: Weicker, Sarah A.; Dube, Jonathan W.; Ragogna, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6681
• a: 46.566 ± 0.006 Å
• b: 9.4725 ± 0.0012 Å
• c: 21.352 ± 0.003 Å
• α: 90°
• β: 112.228 ± 0.003°
• γ: 90°
• Cell volume: 8718 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No