Information card for entry 7013620

Structure parameters

• Formula: C61 H83 K O9 Ti
• Calculated formula: C61 H83 K O9 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: 13.88 ± 0.0002 Å
• b: 20.3074 ± 0.0003 Å
• c: 21.3492 ± 0.0003 Å
• α: 90°
• β: 96.309 ± 0.002°
• γ: 90°
• Cell volume: 5981.18 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No