Information card for entry 7202246

Structure parameters

• Formula: C14.7 H22.1 Cl1.95 N1.35 O5.35 Zn
• Calculated formula: C14.7 H22.1 Cl1.95 N1.35 O5.35 Zn
• 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: 13.293 ± 0.0004 Å
• b: 16.1758 ± 0.0005 Å
• c: 18.5027 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3978.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.6934 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No