Information card for entry 2004484

Structure parameters

• Chemical name: Aquachlorotriphenyltin.3,4,7,8-tetramethyl-1,10-phenanthroline
• Formula: C34 H33 Cl N2 O Sn
• Calculated formula: C34 H33 Cl N2 O Sn
• SMILES: [Sn](Cl)([OH2])(c1ccccc1)(c1ccccc1)c1ccccc1.n1c2c(c(c(c1)C)C)ccc1c(c(cnc12)C)C
• Title of publication: A 1:1 Adduct of Aquachlorotriphenyltin with 3,4,7,8-Tetramethyl-1,10-phenanthroline
• Authors of publication: Ng, S. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 354 - 356
• a: 16.373 ± 0.004 Å
• b: 10.4066 ± 0.0006 Å
• c: 17.629 ± 0.005 Å
• α: 90°
• β: 90.101 ± 0.014°
• γ: 90°
• Cell volume: 3003.8 ± 1.1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for all reflections: 1.002
• Goodness-of-fit parameter for significantly intense reflections: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No