Information card for entry 2227828

Structure parameters

• Chemical name: Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquamanganese(II)
• Formula: C10 H12 Mn N6 O6
• Calculated formula: C10 H12 Mn N6 O6
• SMILES: c1[n]2c(C(=O)O[Mn]32([OH2])([n]2ccnc(c2C(=O)O3)N)[OH2])c(nc1)N
• Title of publication: Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquamanganese(II)
• Authors of publication: Zheng, Min-Yan; Wei, Yong-Sheng; Geng, Wei; Fan, Guang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1228
• a: 7.9257 ± 0.0011 Å
• b: 12.6994 ± 0.0018 Å
• c: 13.663 ± 0.002 Å
• α: 90°
• β: 91.903 ± 0.002°
• γ: 90°
• Cell volume: 1374.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes