Information card for entry 7027975

Structure parameters

• Formula: C102 H120 Cl4 O10 Ti4
• Calculated formula: C102 H120 Cl4 O10 Ti4
• Title of publication: A novel titanium‒oxygen ladder structure supported by calix[4]arene ligands, characterised by synchrotron crystallography
• Authors of publication: Clegg, William; Elsegood, Mark R. J.; Teat, Simon J.; Redshaw, Carl; Gibson, Vernon C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 18
• Pages of publication: 3037
• a: 12.5692 ± 0.0014 Å
• b: 13.4268 ± 0.0015 Å
• c: 15.4275 ± 0.0017 Å
• α: 89.299 ± 0.003°
• β: 68.935 ± 0.003°
• γ: 85.043 ± 0.003°
• Cell volume: 2420 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 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: 0.0822
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.6879 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No