Information card for entry 4306813

Structure parameters

• Chemical name: (Me2calix)TiNNMe2 . 1.75 C7H8
• Formula: C60.25 H78 N2 O4 Ti
• Calculated formula: C60.25 H78 N2 O4 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: 12.8906 ± 0.0002 Å
• b: 13.5333 ± 0.0002 Å
• c: 18.6807 ± 0.0003 Å
• α: 74.0201 ± 0.0005°
• β: 80.0566 ± 0.0005°
• γ: 62.9365 ± 0.0006°
• Cell volume: 2785.63 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0881
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1563
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No