Information card for entry 4305579

Structure parameters

• Formula: C76 H107 Al2 N4 O3 Zr
• Calculated formula: C76 H107 Al2 N4 O3 Zr
• 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: 12.2881 ± 0.0009 Å
• b: 17.1318 ± 0.0013 Å
• c: 19.858 ± 0.002 Å
• α: 111.685 ± 0.001°
• β: 93.87 ± 0.001°
• γ: 109.309 ± 0.001°
• Cell volume: 3579.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No