Information card for entry 4312229

Structure parameters

• Common name: iPrLXanTi2(NMe2)6
• Formula: C41 H76 N10 O Ti2
• Calculated formula: C41 H76 N10 O Ti2
• SMILES: c1(cccc2c1Oc1c(cccc1C2(C)C)C1=[N](C(C)C)[Ti](N1C(C)C)(N(C)C)(N(C)C)N(C)C)C1=[N](C(C)C)[Ti](N1C(C)C)(N(C)C)(N(C)C)N(C)C
• Title of publication: Dititanium Complexes of Preorganized Binucleating Bis(amidinates)
• Authors of publication: Michael J. McNevin; John R. Hagadorn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8547 - 8554
• a: 13.2566 ± 0.0019 Å
• b: 13.2566 ± 0.0019 Å
• c: 23.143 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3522.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No