Information card for entry 4312232

Structure parameters

• Common name: (iPr4Xan)Ti2Cp2Cl2
• Formula: C39 H50 Cl2 N4 O Ti2
• Calculated formula: C39 H50 Cl2 N4 O Ti2
• SMILES: [Ti]1234567([Cl][Ti]89%10%11%12([Cl]1)([N](=C(N%10C(C)C)c1c%10Oc%13c(C(=[N]2C(C)C)N3C(C)C)cccc%13C(C)(C)c%10ccc1)C(C)C)[cH]1[cH]8[cH]9[cH]%11[cH]%121)[cH]1[cH]6[cH]7[cH]4[cH]51
• 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: 10.9048 ± 0.0003 Å
• b: 24.8225 ± 0.0006 Å
• c: 13.9014 ± 0.0003 Å
• α: 90°
• β: 92.788 ± 0.001°
• γ: 90°
• Cell volume: 3758.44 ± 0.16 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No