Information card for entry 7013622

Structure parameters

• Formula: C55 H97 K O16 Ti
• Calculated formula: C56 H52 K O16 Ti
• Title of publication: A facile route to hetero-bimetallic Ti(iv)-alkali metal calix[4]arene complexes
• Authors of publication: Petrella, Antonella J.; Craig, Donald C.; Lamb, Robert N.; Raston, Colin L.; Roberts, Nicholas K.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4590
• a: 15.558 ± 0.003 Å
• b: 15.558 ± 0.003 Å
• c: 26.922 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6517 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 2.63
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No