Information card for entry 7131756

Structure parameters

• Formula: C36 H30 Cl P Sn
• Calculated formula: C36 H30 Cl P Sn
• SMILES: [Sn](Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Tuneable Tetrel Bonds between Tin and Heavy Pnictogens
• Authors of publication: Liyanage, Sachin; Ovens, Jeffrey S.; Scheiner, Steve; Bryce, David L.
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 10.949 ± 0.003 Å
• b: 11.464 ± 0.003 Å
• c: 12.442 ± 0.003 Å
• α: 90.554 ± 0.007°
• β: 99.184 ± 0.006°
• γ: 97.708 ± 0.007°
• Cell volume: 1527 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1447
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No