Information card for entry 2020801

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[tetraaquamanganese(II)]-μ-2,2'-oxydiacetato-[dioxidouranium(VI)]-μ-2,2'-oxydiacetato] dihydrate]
• Formula: C8 H20 Mn O18 U
• Calculated formula: C8 H20 Mn O18 U
• SMILES: [U]1234(=O)([O]=C(O[Mn]([OH2])([OH2])([OH2])(OC5=[O][U]678(=O)([O](C5)CC(=O)O6)(=O)OC(=O)C[O]7CC(=O)O8)[OH2])C[O]1CC(=O)O2)(=O)[O]=C(O[Mn]([OH2])([OH2])([OH2])[OH2])C[O]3CC(=O)O4.O.O.O.O
• Title of publication: Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands
• Authors of publication: Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L.
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 8
• a: 6.997 ± 0.002 Å
• b: 7.185 ± 0.003 Å
• c: 11.043 ± 0.003 Å
• α: 106.356 ± 0.012°
• β: 93.891 ± 0.01°
• γ: 115.13 ± 0.016°
• Cell volume: 470.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0114
• Residual factor for significantly intense reflections: 0.0114
• Weighted residual factors for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections included in the refinement: 0.0282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes