Information card for entry 7045505

Structure parameters

• Formula: C55 H79 B F20 N8 O2 Si6 Ti2
• Calculated formula: C55 H79 B F20 N8 O2 Si6 Ti2
• SMILES: [Ti]123([O]=CO[Ti]456N([Si](C)(C)C)CC[N]6(CCN4[Si](C)(C)C)CCN5[Si](C)(C)C)N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C.Fc1c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F
• Title of publication: Formate complexes of titanium(iv) supported by a triamido-amine ligand.
• Authors of publication: Paparo, A.; van Krüchten, F D; Spaniol, T. P.; Okuda, J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 3530 - 3537
• a: 11.2553 ± 0.0007 Å
• b: 27.0488 ± 0.0017 Å
• c: 23.3434 ± 0.0015 Å
• α: 90°
• β: 91.2981 ± 0.0013°
• γ: 90°
• Cell volume: 7104.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.797
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No