Information card for entry 2019516

Structure parameters

• Chemical name: Poly[[(μ~4~-benzene-1,3,5-tricarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')(μ-hydroxido-κ^2^<i>O</i>:<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')dizinc(II)] monohydrate]
• Formula: C33 H20.64 N4 O7.32 Zn2
• Calculated formula: C33 H20 N4 O7.316 Zn2
• Title of publication: Zn/Mn‒MOFs with `S-shaped' packing modes
• Authors of publication: Fan, Hong-Jie; Xu, Qian-Qian; Ren, Tie-Zhen; Xing, Xiang-Ying; Christensen, Kirsten E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: 502 - 507
• a: 11.9003 ± 0.0001 Å
• b: 17.6185 ± 0.0003 Å
• c: 13.7173 ± 0.0002 Å
• α: 90°
• β: 91.157 ± 0.001°
• γ: 90°
• Cell volume: 2875.46 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No