Information card for entry 2201688

Structure parameters

• Chemical name: [TiZr(μ~2~-O-,μ~2~-O'-methyliminodiethanolate)(μ~2~-O-n-propanolate)~2~ (n-propanolate)~2.7~(iso-propanolate)~1.3~]~2~ bis(methyliminodiethanolato)dodecapropanolatodititaniumdizirconium
• Formula: C46 H106 N2 O16 Ti2 Zr2
• Calculated formula: C46.004 H63.688 N2 O16 Ti2 Zr2
• Title of publication: A centrosymmetric triply alkoxo-bridged titanium-μ~2~-<i>O</i>-zirconium tetranuclear complex: [TiZr(μ~2~-<i>O</i>,μ~2~-<i>O</i>'-methyliminodiethanolate)(μ~2~-<i>O</i>-<i>n</i>-propanolate)~2~(<i>n</i>-propanolate)~2.7~(isopropanolate)~1.3~]~2~
• Authors of publication: Gainsford, Graeme J.; Al-Salim, Najeh; Kemmitt, Tim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: m636 - m638
• a: 10.573 ± 0.003 Å
• b: 11.36 ± 0.004 Å
• c: 13.731 ± 0.005 Å
• α: 87.593 ± 0.005°
• β: 78.464 ± 0.004°
• γ: 81.396 ± 0.004°
• Cell volume: 1597.6 ± 0.9 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.14
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes