Information card for entry 4332372

Structure parameters

• Formula: C11 H25 Cl2 N3 O Ti
• Calculated formula: C11 H25 Cl2 N3 O Ti
• SMILES: C1C[O]2CC[NH]3CC(CN1[Ti]23(N(C)C)(Cl)Cl)(C)C
• Title of publication: Titanium(IV) and Zirconium(IV) Amido Complexes Derived from the Azaoxa Macrocycle 3,3-Dimethyl-1,5-diaza-8-oxacyclodecane
• Authors of publication: Porter, Robin M.; Danopoulos, Andreas A.; Reid, Gillian
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6516 - 6522
• a: 11.5966 ± 0.0009 Å
• b: 9.8494 ± 0.0006 Å
• c: 13.8793 ± 0.0009 Å
• α: 90°
• β: 96.639 ± 0.006°
• γ: 90°
• Cell volume: 1574.66 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No