Information card for entry 7202247

Structure parameters

• Formula: C20 H33 Cd2 O12.5
• Calculated formula: C20 H24 Cd2 O12.5
• 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: 11.9762 ± 0.001 Å
• b: 14.2223 ± 0.0012 Å
• c: 15.5903 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2655.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.6934 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No