Information card for entry 4310014

Structure parameters

• Formula: C30 H57 N O6 Ti
• Calculated formula: C30 H57 N O6 Ti
• SMILES: [Ti]12(Oc3c(cc(cc3C[N]2(CC[O]1C)CCOC)C(C)(C)C)C(C)(C)C)(OC(C)C)(OC(C)C)OC(C)C
• Title of publication: Group IV Complexes of a Tetradentate Amine Mono(phenolate) Ligand: a Second Side-Arm Donor Stabilizes Cationic Species
• Authors of publication: Stanislav Groysman; Ekaterina Sergeeva; Israel Goldberg; Moshe Kol
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8188 - 8190
• a: 14.352 ± 0.0002 Å
• b: 15.556 ± 0.0004 Å
• c: 16.992 ± 0.0004 Å
• α: 105.077 ± 0.0012°
• β: 114.346 ± 0.0011°
• γ: 92.126 ± 0.0015°
• Cell volume: 3292.07 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No