Information card for entry 2222803

Structure parameters

• Chemical name: Diaquabis(5-carboxy-1<i>H</i>-pyrazole-3-carboxylato- κ^2^<i>N</i>^2^,<i>O</i>^3^)cobalt(II) dihydrate
• Formula: C10 H14 Co N4 O12
• Calculated formula: C10 H14 Co N4 O12
• SMILES: [nH]1c(cc2C(=O)O[Co]3([n]12)([n]1c(C(=O)O3)cc(C(=O)O)[nH]1)([OH2])[OH2])C(=O)O.O.O
• Title of publication: Diaquabis(5-carboxy-1<i>H</i>-pyrazole-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>^3^)cobalt(II) dihydrate
• Authors of publication: Xie, Hui-Dong; Jin, Li; Xie, Cheng-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m1009 - m1010
• a: 10.03 ± 0.003 Å
• b: 12.483 ± 0.004 Å
• c: 6.827 ± 0.002 Å
• α: 90°
• β: 108.641 ± 0.004°
• γ: 90°
• Cell volume: 809.9 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes