Information card for entry 7006230

Structure parameters

• Formula: C66 H102 N4 O2 Ti2
• Calculated formula: C66 H102 N4 O2 Ti2
• SMILES: C[Ti]123([N](=C(C)C=C(C)N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)O[Ti]13(O2)(C)[N](=C(C)C=C(C)N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.CCCCCC
• Title of publication: A ligand influence on the stability of heterobimetallic complexes containing the Ti(µ-O)Al skeleton. Transformation of heterometallic systems to the homometallic Ti(iv) and Al(iii) complexes
• Authors of publication: Nikiforov, Grigory B.; Roesky, Herbert W.; Jones, Peter G.; Oswald, Rainer B.; Noltemeyer, Mathias
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 37
• Pages of publication: 4149
• a: 8.9759 ± 0.0011 Å
• b: 13.085 ± 0.0016 Å
• c: 13.5178 ± 0.0016 Å
• α: 88.349 ± 0.004°
• β: 79.207 ± 0.004°
• γ: 80.387 ± 0.004°
• Cell volume: 1537.7 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No