Information card for entry 2012728

Structure parameters

• Chemical name: bis(2,2'-methyliminodiethanolato)-1κ^3^O,N,O';3κ^3^O,N,O'-di-μ~3~-propane- 1,3-diolato-1:2:3-κ^4^O:O,O':O'-μ-propane-1,3-diolato-1:3κ^2^O:O'-propane- 1,3-diolato-2κ^2^O,O'-trititanium(IV)
• Formula: C22 H46 N2 O12 Ti3
• Calculated formula: C22 H46 N2 O12 Ti3
• Title of publication: Multiple bridging modes in a novel trinuclear titanium 1,3-dioxypropane compound, Ti~3~(methyliminodiethanolate)~2~(1,3-propanediolate)~4~
• Authors of publication: Kemmitt, Tim; Gainsford, Graeme J.; Robson-Marsden, Hana
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m310 - m312
• a: 11.732 ± 0.004 Å
• b: 18.415 ± 0.006 Å
• c: 13.703 ± 0.005 Å
• α: 90°
• β: 92.842 ± 0.005°
• γ: 90°
• Cell volume: 2956.8 ± 1.8 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes