Information card for entry 7000582

Structure parameters

• Common name: Nonafluorobiphenyl dimethyl tin bromide acetonitrile solvate
• Chemical name: Nonafluorobiphenyl dimethyl tin bromide acetonitrile solvate
• Formula: C16 H9 Br F9 N Sn
• Calculated formula: C16 H9 Br F9 N Sn
• SMILES: [Sn](Br)(c1c(F)c(F)c(c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C)C.N#CC
• Title of publication: The synthesis, structure and reactivity of 4-nonafluorobiphenyl complexes
• Authors of publication: Martin, Eddy; Hughes, David L.; Hursthouse, Michael B.; Male, Louise; Lancaster, Simon J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1593 - 1601
• a: 9.8151 ± 0.0002 Å
• b: 10.5666 ± 0.0003 Å
• c: 18.0686 ± 0.0004 Å
• α: 90°
• β: 96.468 ± 0.002°
• γ: 90°
• Cell volume: 1862.01 ± 0.08 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 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: 0.0606
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No