Information card for entry 4076665

Structure parameters

• Formula: C27 H45 N Si Ti
• Calculated formula: C27 H45 N Si Ti
• SMILES: [c]123[c]4([c]5([c]6([c]1(C)[Ti]1783456([C](=[C]1C(C)(C)C)=[C]8=[C]7C(C)(C)C)N(C(C)(C)C)[Si]2(C)C)C)C)C
• Title of publication: Five-Membered Titanacyclocumulenes that Contain Linked Amido−Cyclopentadienyl Ligands
• Authors of publication: Spannenberg, Anke; Baumann, Wolfgang; Becke, Sigurd; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1512
• a: 11.233 ± 0.002 Å
• b: 11.79 ± 0.002 Å
• c: 20.887 ± 0.004 Å
• α: 90°
• β: 98.65 ± 0.03°
• γ: 90°
• Cell volume: 2734.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0976
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections: 0.2235
• Weighted residual factors for significantly intense reflections: 0.1884
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No