Information card for entry 1517598

Structure parameters

• Formula: C16 H16 Mn N2 O10
• Calculated formula: C16 H16 Mn N2 O10
• SMILES: [Mn]1([OH2])(OC(=O)c2cc(cc([NH3+])c2)C(=O)O[Mn](OC(=O)c2cc(cc([NH3+])c2)C(=O)O1)([OH2])(OC(=O)c1cc(cc([NH3+])c1)C(=O)[O-])([OH2])OC(=O)c1cc(cc([NH3+])c1)C(=O)[O-])[OH2]
• Title of publication: Influential factors on assembly of first-row transition metal coordination polymers
• Authors of publication: Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 403
• Pages of publication: 53 - 62
• a: 6.9972 ± 0.0002 Å
• b: 10.0161 ± 0.0003 Å
• c: 13.8929 ± 0.0005 Å
• α: 90°
• β: 124.842 ± 0.002°
• γ: 90°
• Cell volume: 799.13 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No