Information card for entry 2211975

Structure parameters

• Chemical name: Diaquabis(6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylato)cobalt(II) dihydrate
• Formula: C10 H18 Co N4 O10
• Calculated formula: C10 H18 Co N4 O10
• SMILES: C1(=O)C2CCC(=O)N[N]=2[Co]2(O1)([N]1=C(C(=O)O2)CCC(=O)N1)([OH2])[OH2].O.O
• Title of publication: Diaquabis(6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylato)cobalt(II) dihydrate
• Authors of publication: Yu, Qing; Bao, Xiao-Ge; Zhang, Xiu-Qing; Bian, He-Dong; Liang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m138 - m139
• a: 5.727 ± 0.009 Å
• b: 18.48 ± 0.03 Å
• c: 8.673 ± 0.011 Å
• α: 90°
• β: 114.07 ± 0.08°
• γ: 90°
• Cell volume: 838 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes