Information card for entry 2207777

Structure parameters

• Chemical name: trans-Diaquabis(pyridazine-3-carboxylato-κ^2^N,O)magnesium(II) dihydrate
• Formula: C10 H14 Mg N4 O8
• Calculated formula: C10 H14 Mg N4 O8
• SMILES: c1(cccn[n]12)C(=O)O[Mg]12([OH2])(OC(=O)c2cccn[n]12)[OH2].O.O
• Title of publication: <i>trans</i>-Diaquabis(pyridazine-3-carboxylato-κ^2^<i>N</i>,<i>O</i>)magnesium(II) dihydrate
• Authors of publication: Michał Gryz; Wojciech Starosta; Janusz Leciejewicz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m123 - m124
• a: 5.338 ± 0.0011 Å
• b: 7.468 ± 0.0015 Å
• c: 9.641 ± 0.0019 Å
• α: 79.23 ± 0.03°
• β: 88.91 ± 0.03°
• γ: 71.93 ± 0.03°
• Cell volume: 358.63 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes