Information card for entry 7045506

Structure parameters

• Formula: C80 H102 B2 Cl16 N8 O4 Si6 Ti2
• Calculated formula: C80 H102 B2 Cl16 N8 O4 Si6 Ti2
• SMILES: C12=[N](CC[N]34CCN([Si](C)(C)C)[Ti]4(N(CC3)[Si](C)(C)C)(O1)OC1=[N](CC[N]34CCN([Si](C)(C)C)[Ti]4(N(CC3)[Si](C)(C)C)(O1)O2)[Si](C)(C)C)[Si](C)(C)C.c1c(cc(cc1[B-](c1cc(Cl)cc(c1)Cl)(c1cc(cc(c1)Cl)Cl)c1cc(cc(c1)Cl)Cl)Cl)Cl.[B-](c1cc(cc(c1)Cl)Cl)(c1cc(cc(c1)Cl)Cl)(c1cc(cc(c1)Cl)Cl)c1cc(cc(c1)Cl)Cl
• 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: 13.75 ± 0.005 Å
• b: 14.046 ± 0.006 Å
• c: 14.333 ± 0.006 Å
• α: 85.429 ± 0.007°
• β: 88.237 ± 0.007°
• γ: 60.975 ± 0.006°
• Cell volume: 2412.7 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1729
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.2399
• Weighted residual factors for all reflections included in the refinement: 0.2853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No