Information card for entry 4312233

Structure parameters

• Common name: iPrLDBFTi2Cp2Me4
• Formula: C40 H56 N4 O Ti2
• Calculated formula: C40 H56 N4 O Ti2
• SMILES: C1(c2cccc3c2Oc2c3cccc2C2=[N](C(C)C)[Ti]3456(C)([cH]7[cH]6[cH]5[cH]4[cH]37)(N2C(C)C)C)=[N](C(C)C)[Ti]2345([cH]6[cH]2[cH]5[cH]4[cH]36)(N1C(C)C)(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: 24.6997 ± 0.001 Å
• b: 12.8143 ± 0.0005 Å
• c: 12.1194 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3835.9 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No