Information card for entry 2011652

Structure parameters

• Formula: C6 H7 Br4 N Ti
• Calculated formula: C6 H7 Br4 N Ti
• SMILES: [Ti](Br)(Br)(Br)(Br)[n]1c(C)cccc1
• Title of publication: Tetrabromo(2-methylpyridine-<i>N</i>)titanate(IV)
• Authors of publication: Hensen, Karl; Lemke, Alexander; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: e565 - e566
• a: 6.7416 ± 0.0001 Å
• b: 9.8984 ± 0.0002 Å
• c: 17.3338 ± 0.0003 Å
• α: 90°
• β: 91.82 ± 0.001°
• γ: 90°
• Cell volume: 1156.12 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.093
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes