Information card for entry 7002736

Structure parameters

• Formula: C10 H6 N12 O22 U4
• Calculated formula: C10 H6 N12 O22 U4
• SMILES: c1(c2ncccn2)n2[n](nn1)[U]13(=O)(O[U]4(=O)(n5c(c6ncccn6)nn[n]5[U]5(O[U]2([O]35)(=O)(=O)=O)([O]14)(=O)(=O)=O)(=O)=O)(=O)=O.O.O.O.O.O.O
• Title of publication: Influence of metal ions, coligands and reaction conditions on the structural versatility and properties of 5-pyrimidyl-tetrazolate containing complexes
• Authors of publication: Rodríguez-Diéguez, Antonio; Mota, Antonio J.; Seco, José M.; Palacios, María A.; Romerosa, Antonio; Colacio, Enrique
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9578 - 9586
• a: 7.286 ± 0.0008 Å
• b: 9.1012 ± 0.001 Å
• c: 13.1812 ± 0.0014 Å
• α: 82.668 ± 0.001°
• β: 79.381 ± 0.002°
• γ: 73.624 ± 0.001°
• Cell volume: 821.59 ± 0.15 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: 0.0398
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 0.797
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No