Information card for entry 2015089

Structure parameters

• Common name: [(Cp*TiCl)(μ-O)~2~(Cp*Ti)~2~(μ-O)(μ-O)~2~]~2~Ti
• Chemical name: dichlorodeca-μ~2~oxo-hexakis(pentamethylcyclopentadienyl)hexatitanium(IV)
• Formula: C60 H90 Cl2 O10 Ti7
• Calculated formula: C60 H90 Cl2 O10 Ti7
• SMILES: [Ti]1(Cl)(O[Ti]2(O[Ti]3(O[Ti](O1)(O2)([c]12C)([c]14C)([c]21C)([c]12C)[c]24C)O[Ti]1(O[Ti](Cl)(O[Ti](O3)(O1)([c]12C)([c]13C)([c]21C)([c]12C)[c]23C)([c]12C)([c]13C)([c]21C)([c]12C)[c]23C)([c]12C)([c]13C)([c]21C)([c]12C)[c]23C)([c]12C)([c]13C)([c]21C)([c]12C)[c]23C)([c]12C)([c]13C)([c]21C)([c]12C)[c]23C
• Title of publication: The new polynuclear titanium(IV) complex [(Cp*TiCl)(μ-O)~2~(Cp*Ti)~2~(μ-O)(μ-O)~2~]~2~Ti (Cp* is η^5^-C~5~Me~5~)
• Authors of publication: Jie Chen; Ning-Hai Hu; Jie Zhan; Yue-Sheng Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m337 - m338
• a: 11.4724 ± 0.0014 Å
• b: 29.713 ± 0.004 Å
• c: 19.495 ± 0.002 Å
• α: 90°
• β: 92.09 ± 0.002°
• γ: 90°
• Cell volume: 6641 ± 1.4 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: 0.0568
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes