Information card for entry 4306810

Structure parameters

• Chemical name: Ti(Mecalix){N(tBu)C(NNMe3)O}.3 C6H6
• Formula: C71 H91 N3 O5 Ti
• Calculated formula: C71 H91 N3 O5 Ti
• Title of publication: Synthesis, Structures and Reactivity of Group 4 Hydrazido Complexes Supported by Calix[4]arene Ligands
• Authors of publication: Andrew J. Clulow; Jonathan D. Selby; Michael G. Cushion; Andrew D. Schwarz; Philip Mountford
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 12049 - 12062
• a: 13.0664 ± 0.0003 Å
• b: 23.5233 ± 0.0006 Å
• c: 23.6745 ± 0.0007 Å
• α: 90°
• β: 93.0525 ± 0.0011°
• γ: 90°
• Cell volume: 7266.4 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.1494
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections: 0.2808
• Weighted residual factors for significantly intense reflections: 0.2425
• Weighted residual factors for all reflections included in the refinement: 0.2808
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9381
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No