Information card for entry 2019234

Structure parameters

• Chemical name: Poly[diaqua[1,2-bis(pyridin-4-yl)ethylene][μ~3~-3-carboxy-\ 5-(carboxylatomethoxy)benzoato]manganese(II)]
• Formula: C22 H20 Mn N2 O9
• Calculated formula: C22 H20 Mn N2 O9
• Title of publication: A two-dimensional network containing an ‒Mn—O—C—O—Mn‒ chain: poly[diaqua[1,2-bis(pyridin-4-yl)ethylene][μ~3~-3-carboxy-5-(carboxylatomethoxy)benzoato]manganese(II)]
• Authors of publication: Lei, Yong-Qian; Wang, Guan-Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1311 - 1313
• a: 9.092 ± 0.004 Å
• b: 29.484 ± 0.012 Å
• c: 9.093 ± 0.004 Å
• α: 90°
• β: 117.04 ± 0.05°
• γ: 90°
• Cell volume: 2171.1 ± 1.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No