Information card for entry 7116332

Structure parameters

• Formula: C54 H28 Cu3 N2 O15
• Calculated formula: C54 H28 Cu3 N2 O15
• Title of publication: Assembly of metal-organic polyhedra into highly porous frameworks for ethene delivery
• Authors of publication: Ulrich Stoeck; Irena Senkovska; Volodymyr Bon; Simon Krause; Stefan Kaskel
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 1046
• a: 33.97 ± 0.004 Å
• b: 33.97 ± 0.004 Å
• c: 33.97 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 39200 ± 8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.88561 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No