Information card for entry 2006408

Structure parameters

• Chemical name: Bis[aqua(chlorodifluoroacetato)triphenyltin-1,10-phenanthroline]
• Formula: C32 H25 Cl F2 N2 O3 Sn
• Calculated formula: C32 H25 Cl F2 N2 O3 Sn
• SMILES: c1(ccccc1)[Sn](OC(=O)C(F)(F)Cl)([OH2])(c1ccccc1)c1ccccc1.n1c2c(ccc1)ccc1cccnc21
• Title of publication: Bis[aqua(chlorodifluoroacetato-<i>O</i>)triphenyltin‒1,10-phenanthroline]
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1059 - 1061
• a: 9.515 ± 0.001 Å
• b: 12.234 ± 0.001 Å
• c: 12.787 ± 0.001 Å
• α: 89.888 ± 0.008°
• β: 97.377 ± 0.009°
• γ: 90.29 ± 0.009°
• Cell volume: 1476.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections: 0.1447
• Weighted residual factors for significantly intense reflections: 0.1397
• Goodness-of-fit parameter for all reflections: 1.087
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No