Information card for entry 4303347

Structure parameters

• Common name: manganesetetrazol-5-carboxylate
• Formula: C4 H20 Mn2 N8 O14
• Calculated formula: C4 H20 Mn2 N8 O14
• SMILES: n12[Mn]3([OH2])([OH2])([OH2])[n]4n5c(nn4)C(=O)O[Mn]5([n]2nnc1C(=O)O3)([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Tetrazole-5-carboxylic Acid Based Salts of Earth Alkali and Transition Metal Cations
• Authors of publication: Vera Hartdegen; Thomas M. Klapötke; Stefan M. Sproll
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9549 - 9556
• a: 7.3516 ± 0.0005 Å
• b: 12.9931 ± 0.0009 Å
• c: 19.8142 ± 0.0016 Å
• α: 90°
• β: 100.351 ± 0.005°
• γ: 90°
• Cell volume: 1861.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0575
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No