Information card for entry 1564076

Structure parameters

• Formula: C10 H18 Mn N4 O10
• Calculated formula: C10 H18 Mn N4 O10
• SMILES: c1c(cc[n]([Mn]([OH2])([n]2ccc(cn2)C(=O)[O-])([OH2])([OH2])[OH2])n1)C(=O)[O-].O.O
• Title of publication: Comparison of structural, spectroscopic, theoretical and thermal properties of metal complexes (Zn(II), Mn(II), Cu(II), Ni(II) and Co(II)) of pyridazine-3-carboxylic acid and pyridazine-4-carboxylic acids
• Authors of publication: Świderski, Grzegorz; Łyszczek, Renata; Wojtulewski, Sławomir; Kalinowska, Monika; Świsłocka, Renata; Lewandowski, Włodzimierz
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 512
• Pages of publication: 119865
• a: 19.117 ± 0.001 Å
• b: 6.7745 ± 0.0003 Å
• c: 6.2323 ± 0.0004 Å
• α: 90°
• β: 97.344 ± 0.005°
• γ: 90°
• Cell volume: 800.51 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2056
• Weighted residual factors for all reflections included in the refinement: 0.2428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No