Information card for entry 2200348

Structure parameters

• Chemical name: Dichoro[(3-methyl-2-p-tolylsulfonamidobutyl)-κ^2^N,O:η^5^-cyclopentadienyl]- titanium
• Formula: C17 H21 Cl2 N O2 S Ti
• Calculated formula: C17 H21 Cl2 N O2 S Ti
• SMILES: [Ti]1(Cl)(Cl)([cH]23)([cH]24)([cH]32)([cH]23)([c]234)[O]=[S@](=O)(N1[C@H](C2)C(C)C)c1ccc(cc1)C
• Title of publication: Dichloro[(3-methyl-2-<i>p</i>-tolylsulfonamidobutyl)-κ^2^<i>N</i>,<i>O</i>:η^5^-cyclopentadienyl]titanium
• Authors of publication: Lensink, Cornelis; Gainsford, Graeme J.; Brandsma, Menno
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: m211 - m212
• a: 8.8053 ± 0.0018 Å
• b: 13.885 ± 0.003 Å
• c: 15.647 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1913 ± 0.7 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes