Information card for entry 2222294

Structure parameters

• Formula: C12 H14 Mn N8 O8
• Calculated formula: C12 H14 Mn N8 O8
• SMILES: C1(=O)c2cccn3c2[n]([Mn]2(O1)([n]1c4c(C(=O)O2)cccn4nn1)([OH2])[OH2])nn3.O.O
• Title of publication: Diaquabis(tetrazolo[1,5-<i>a</i>]pyridine-8-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)manganese(II) dihydrate
• Authors of publication: Zhao, Jian-De
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m812
• a: 19.041 ± 0.004 Å
• b: 11.694 ± 0.002 Å
• c: 7.5371 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1678.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes