Information card for entry 2021088

Structure parameters

• Chemical name: Poly[[μ~3~-2,2'-(1,2-phenylene)bis(4-carboxy-1<i>H</i>-imidazole-5-carboxylato)-κ^6^<i>O</i>^4^,<i>N</i>^3^,<i>N</i>^3'^,<i>O</i>^4'^:<i>O</i>^5^:<i>O</i>^5'^:]manganese(II)]
• Formula: C16 H8 Mn N4 O8
• Calculated formula: C16 H8 Mn N4 O8
• Title of publication: A new two-dimensional managnese(II) coordination polymer constructed by 2,2'-(1,2-phenylene)bis(1<i>H</i>-imidazole-4,5-dicarboxylate)
• Authors of publication: Liu, Yan-Ju; Cheng, Di; Li, Ya-Xue; Meng, Xiang-Ru; Yang, Huai-Xia
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 599 - 603
• a: 8.3422 ± 0.0004 Å
• b: 16.45 ± 0.0008 Å
• c: 11.8773 ± 0.0005 Å
• α: 90°
• β: 93.108 ± 0.002°
• γ: 90°
• Cell volume: 1627.51 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes