Information card for entry 7107521

Structure parameters

• Formula: C105 H59 N2 O22 Zn5
• Calculated formula: C105 H59 N2 O22 Zn5
• Title of publication: Extending the family of Zn-based MOFs: Synthetic approaches to chiral framework structures and MOFs with large pores and channels
• Authors of publication: Nianyong Zhu; Gerard Tobin; Wolfgang Schmitt
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3638
• a: 25.1355 ± 0.0017 Å
• b: 37.055 ± 0.002 Å
• c: 20.2587 ± 0.0014 Å
• α: 90°
• β: 124.71 ± 0.02°
• γ: 90°
• Cell volume: 15511 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No