Information card for entry 2213393

Structure parameters

• Chemical name: Bis(benzimidazolium) diaquabis(pyridine-2,4-dicarboxylato-κ^2^N,O)manganese(II) dihydrate
• Formula: C28 H28 Mn N6 O12
• Calculated formula: C28 H28 Mn N6 O12
• SMILES: c1c2c(ccc1)[nH]c[nH+]2.O=C1O[Mn]2([n]3c1cc(cc3)C(=O)[O-])([n]1c(cc(cc1)C(=O)[O-])C(=O)O2)([OH2])[OH2].O.c1c2c(ccc1)[nH]c[nH+]2.O
• Title of publication: Bis(benzimidazolium) diaquabis(pyridine-2,4-dicarboxylato-κ^2^<i>N</i>,<i>O</i>)manganese(II) dihydrate
• Authors of publication: Zhang, Chun-Xia; Ma, Cheng-Bing; Hu, Ming-Qiang; Chen, Chang-Neng; Liu, Qiu-Tian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1424 - m1426
• a: 8.4882 ± 0.0018 Å
• b: 9.0617 ± 0.0019 Å
• c: 10.7716 ± 0.0019 Å
• α: 96.539 ± 0.006°
• β: 101.032 ± 0.006°
• γ: 111.508 ± 0.005°
• Cell volume: 741.1 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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 significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes