Information card for entry 4305578

Structure parameters

• Formula: C51 H65 Al N2 O Ti
• Calculated formula: C51 H65 Al N2 O Ti
• SMILES: [Ti](O[Al]1([N](c2c(cccc2C(C)C)C(C)C)=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: On the Quest for New Mixed-Metal μ-Oxo-bridged Complexes: Synthesis of Compounds Containing Transition Metal-Oxygen-Main Group Metal Motifs M-O-M1 (M = Ti, Zr; M1= Al, Ga) without Cyclopentadienyl Ligands
• Authors of publication: Grigory B. Nikiforov; Herbert W. Roesky; Thomas Schulz; Dietmar Stalke; M. Witt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6435 - 6443
• a: 18.312 ± 0.004 Å
• b: 23.545 ± 0.005 Å
• c: 21.309 ± 0.004 Å
• α: 90°
• β: 98.56 ± 0.03°
• γ: 90°
• Cell volume: 9085 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No