Information card for entry 7202248

Structure parameters

• Formula: C41 H70 O18 S5 Zn3
• Calculated formula: C41 H69 O18 S5 Zn3
• 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: 16.3499 ± 0.0013 Å
• b: 15.4909 ± 0.0013 Å
• c: 42.062 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10653.2 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1216
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.8459 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No