Information card for entry 7202250

Structure parameters

• Formula: C21 H32 O11 Zn2
• Calculated formula: C21 H27 O11 Zn2
• Title of publication: Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers
• Authors of publication: Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 1474
• a: 7.539 ± 0.004 Å
• b: 13.843 ± 0.008 Å
• c: 12.155 ± 0.007 Å
• α: 90°
• β: 90.19 ± 0.009°
• γ: 90°
• Cell volume: 1268.5 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1663
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.846 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No