Information card for entry 2201644

Structure parameters

• Chemical name: bis(methyliminodiethanolato-κ^5^O:O,N,O':O')tetra-μ-n-propanolato-κ^8^O:O- octa-n-propanolato-κO-tetrazirconium
• Formula: C23 H53 N O8 Zr2
• Calculated formula: C45.996 H54 N2 O16 Zr4
• Title of publication: A centrosymmetric μ~2~-alkoxo-bridged zirconium tetrameric complex: [Zr~2~(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)~4~]~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: m619 - m621
• a: 18.271 ± 0.006 Å
• b: 16.941 ± 0.005 Å
• c: 20.221 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6259 ± 3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.181
• 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