Information card for entry 7010676

Structure parameters

• Formula: C32 H80 N8 O12 Ti4
• Calculated formula: C32 H80 N8 O12 Ti4
• Title of publication: The compound [Ti4O4{OCH2CH2N(CH3)2}8] containing the new Ti4O4 cluster core
• Authors of publication: Brian F. G. Johnson; Marek C. Klunduk; Timothy J. O'Connell; Calum McIntosh; John Ridland
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2001
• Journal issue: 10
• Pages of publication: 1553 - 1555
• a: 10.444 ± 0.009 Å
• b: 11.479 ± 0.009 Å
• c: 20.085 ± 0.005 Å
• α: 90°
• β: 90.24 ± 0.05°
• γ: 90°
• Cell volume: 2408 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0941
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No