Information card for entry 2222098

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis(6-methoxycarbonylpyridazine-3-carboxylato- κ^2^<i>N</i>,<i>O</i>)zinc(II) dihydrate
• Formula: C14 H18 N4 O12 Zn
• Calculated formula: C14 H18 N4 O12 Zn
• SMILES: [OH2][Zn]12([n]3c(ccc(n3)C(=O)OC)C(=O)O1)([OH2])[n]1c(ccc(C(=O)OC)n1)C(=O)O2.O.O
• Title of publication: <i>trans</i>-Diaquabis(6-methoxycarbonylpyridazine-3-carboxylato-κ^2^<i>N</i>,<i>O</i>)zinc(II) dihydrate
• Authors of publication: Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m640
• a: 6.3678 ± 0.0013 Å
• b: 8.3178 ± 0.0017 Å
• c: 9.7717 ± 0.0019 Å
• α: 102.99 ± 0.03°
• β: 108.9 ± 0.03°
• γ: 94.97 ± 0.03°
• Cell volume: 469.9 ± 0.2 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: 0.0449
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes