Information card for entry 7006229

Structure parameters

• Formula: C74 H98 N4 O2 Ti2
• Calculated formula: C74 H98 N4 O2 Ti2
• 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: 18.708 ± 0.0017 Å
• b: 20.4316 ± 0.0018 Å
• c: 9.0082 ± 0.0008 Å
• α: 90°
• β: 110.296 ± 0.004°
• γ: 90°
• Cell volume: 3229.5 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No