Information card for entry 7101840

Structure parameters

• Formula: C49 H59 N3 O30 Zn4
• Calculated formula: C49 H53 N3 O30 Zn4
• Title of publication: Ligand flexibility and framework rearrangement in a new family of porous metal-organic frameworks.
• Authors of publication: Hawxwell, Samuel M; Espallargas, Guillermo Mínguez; Bradshaw, Darren; Rosseinsky, Matthew J; Prior, Timothy J; Florence, Alastair J; van de Streek, Jacco; Brammer, Lee
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1532 - 1534
• a: 13.0757 ± 0.0006 Å
• b: 14.1157 ± 0.0007 Å
• c: 16.6631 ± 0.0008 Å
• α: 66.602 ± 0.001°
• β: 87.138 ± 0.001°
• γ: 89.757 ± 0.001°
• Cell volume: 2818.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.846 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No