Information card for entry 2220601

Structure parameters

• Common name: Uranium pyridazinate dihydrate
• Chemical name: Bis(μ-pyridazine-3-carboxylato-κ^2^O:O')bis[aquadioxido(pyridazine-3- carboxylato-κ^2^N^2^,O)uranium(VI)] dihydrate
• Formula: C20 H20 N8 O16 U2
• Calculated formula: C20 H20 N8 O16 U2
• SMILES: O=[U]12(=O)([OH2])([n]3c(cccn3)C(=O)O1)[O]=C(c1cccnn1)O[U]1(=O)(=O)([OH2])([n]3c(cccn3)C(=O)O1)[O]=C(c1cccnn1)O2.O.O
• Title of publication: Bis(μ-pyridazine-3-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[aquadioxido(pyridazine-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)uranium(VI)] dihydrate
• Authors of publication: Leciejewicz, Janusz; Starosta, Wojciech
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m94
• a: 25.66 ± 0.005 Å
• b: 6.833 ± 0.0014 Å
• c: 16.673 ± 0.003 Å
• α: 90°
• β: 96.73 ± 0.03°
• γ: 90°
• Cell volume: 2903.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes