Information card for entry 7027687

Structure parameters

• Formula: C34 H45 Cl7 N2 P2 Si2 Ti
• Calculated formula: C34 H45 Cl7 N2 P2 Si2 Ti
• SMILES: [Ti]12(Cl)(Cl)(Cl)[N]([Si](C)(C)C)=P(c3ccccc3)(c3ccccc3)C2CP(c2ccccc2)(c2ccccc2)=[N]1[Si](C)(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Facile formation of a titanium‒carbon bond from TiCl4 by HCl elimination: the synthesis and structure of TiCl3[Me3SiNP(Ph)2CHCH2P(Ph)2NSiMe3] †
• Authors of publication: Sarsfield, Mark J.; Thornton-Pett, Mark; Bochmann, Manfred
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 19
• Pages of publication: 3329
• a: 22.4593 ± 0.0007 Å
• b: 9.4978 ± 0.0003 Å
• c: 21.4978 ± 0.0006 Å
• α: 90°
• β: 113.094 ± 0.0014°
• γ: 90°
• Cell volume: 4218.3 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No