Information card for entry 2204362

Structure parameters

• Chemical name: Diaqua-trans-bis(pyridazine-3-carboxylato-κ^2^O,N)zinc(II)
• Formula: C10 H10 N4 O6 Zn
• Calculated formula: C10 H10 N4 O6 Zn
• SMILES: c1ccc2[n](n1)[Zn]1(OC(=O)c3cccn[n]13)([OH2])(OC2=O)[OH2]
• Title of publication: Diaqua-<i>trans</i>-bis(pyridazine-3-carboxylato-κ^2^<i>O,N</i>)zinc(II)
• Authors of publication: Gryz, Michał; Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1481 - m1483
• a: 5.227 ± 0.001 Å
• b: 11.709 ± 0.002 Å
• c: 9.799 ± 0.002 Å
• α: 90°
• β: 101.63 ± 0.03°
• γ: 90°
• Cell volume: 587.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes