Information card for entry 7023223

Structure parameters

• Formula: C12 H10 Cu N4 O13 U
• Calculated formula: C12 H10 Cu N4 O13 U
• SMILES: [U]123(=O)(=O)([O]=C4C(O1)=O[Cu]1(O4)([OH2])[n]4ccccc4c4[n]1cccc4)(ON(=[O]2)=O)ON(=[O]3)=O
• Title of publication: Uranyl-copper(II) heterometallic oxalate complexes: coordination polymers and frameworks.
• Authors of publication: Thuéry, Pierre; Rivière, Eric
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10551 - 10558
• a: 7.7582 ± 0.0004 Å
• b: 11.0274 ± 0.0008 Å
• c: 12.1812 ± 0.001 Å
• α: 66.717 ± 0.003°
• β: 85.541 ± 0.004°
• γ: 87.653 ± 0.004°
• Cell volume: 954.31 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No