Information card for entry 7120458

Structure parameters

• Chemical name: porphMOM-1
• Formula: C57.96 H27.95 Fe0.43 N3.58 O37.23 S1.73 Zn5.9
• Calculated formula: C57.98 H27.95 Fe0.435 N3.59 O37.295 S1.73 Zn5.9
• Title of publication: Post-Synthetic Transformation of a Novel Zn(II) Polyhedral Coordination Network into a New Supramolecular Isomer of HKUST-1
• Authors of publication: Chen, Yao; Wojtas, Lukasz; Ma, Shengqian; Zaworotko, Michael; Zhang, Zhenjie
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 34.304 ± 0.002 Å
• b: 29.2049 ± 0.0019 Å
• c: 18.7738 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18808 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2413
• Weighted residual factors for all reflections included in the refinement: 0.2694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No