Information card for entry 7108014

Structure parameters

• Formula: C54 H56 O17 Zn4
• Calculated formula: C54 H56 O17 Zn4
• Title of publication: Oxozinc carboxylates: a predesigned platform for modelling prototypical Zn-MOFs' reactivity toward water and donor solvents
• Authors of publication: Wojciech Bury; Iwona Justyniak; Daniel Prochowicz; Zbigniew Wrobel; Janusz Lewinski
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7362
• a: 23.1389 ± 0.0009 Å
• b: 11.6701 ± 0.0005 Å
• c: 24.0951 ± 0.0005 Å
• α: 90°
• β: 117.427 ± 0.002°
• γ: 90°
• Cell volume: 5775.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No