Information card for entry 2223660

Structure parameters

• Chemical name: Di-μ-aqua-bis(μ-pyridazine-4-carboxylato- κ^2^<i>N</i>:<i>N</i>')bis[triaqua(pyridazine-4-carboxylato- κ^2^<i>O</i>,<i>O</i>')lead(II)] dihydrate
• Formula: C20 H32 N8 O18 Pb2
• Calculated formula: C20 H32 N8 O18 Pb2
• SMILES: [Pb]1234([OH2])([OH2])([OH2])(OC(=[O]4)c4ccnnc4)[OH2][Pb]4([OH2])([OH2])([OH2])(OC(=[O]4)c4ccnnc4)([OH2]1)([n]1[n]2ccc(C(=O)[O-])c1)[n]1[n]3ccc(C(=O)[O-])c1.O.O
• Title of publication: Di-μ-aqua-bis(μ-pyridazine-4-carboxylato-κ^2^<i>N</i>:<i>N</i>')bis[triaqua(pyridazine-4-carboxylato-κ^2^<i>O</i>,<i>O</i>')lead(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: 11
• Pages of publication: m1291
• a: 7.0762 ± 0.0014 Å
• b: 9.2967 ± 0.0019 Å
• c: 12.83 ± 0.003 Å
• α: 92.05 ± 0.03°
• β: 105.13 ± 0.03°
• γ: 102.85 ± 0.03°
• Cell volume: 790.4 ± 0.3 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: 0.0537
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1219
• 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