Information card for entry 2019517

Structure parameters

• Chemical name: Poly[[bis(μ~6~-benzene-1,3,5-tricarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')bis(μ~3~-hydroxido-κ^2^<i>O</i>:<i>O</i>:<i>O</i>)bis(μ~2~-hydroxido-κ^2^<i>O</i>:<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tetramanganese(II)] 1.32-hydrate]
• Formula: C21 H13.26 Mn2 N2 O7.63
• Calculated formula: C21 H12 Mn2 N2 O7.628
• 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: 10.0433 ± 0.0001 Å
• b: 10.8307 ± 0.0001 Å
• c: 18.5159 ± 0.0001 Å
• α: 90°
• β: 93.779 ± 0.001°
• γ: 90°
• Cell volume: 2009.71 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No