Information card for entry 2013003

Structure parameters

• Chemical name: bis(μ-methyliminodiethanolato-1κ^3^O,N,O';1:2κ^2^O)(methyliminodiethanolato- 2κ^3^O,N,O')dipropanolato-1κO,2κO-titanium(IV)zirconium(IV)
• Formula: C21 H47 N3 O8 Ti Zr
• Calculated formula: C21.006 H44.186 N3 O8 Ti Zr
• Title of publication: A novel titanium‒μ-O‒zirconium complex: bis(μ-methyliminodiethanolato-1κ^3^<i>O</i>,<i>N</i>,<i>O</i>';1:2κ^2^<i>O</i>)(methyliminodiethanolato-2κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dipropanolato-1κ<i>O</i>,2κ<i>O</i>-titanium(IV)zirconium(IV)
• Authors of publication: Gainsford, Graeme J.; Al-Salim, Najeh; Kemmitt, Tim
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m509 - m510
• a: 31.172 ± 0.01 Å
• b: 10.407 ± 0.003 Å
• c: 19.116 ± 0.006 Å
• α: 90°
• β: 116.002 ± 0.003°
• γ: 90°
• Cell volume: 5574 ± 3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes