Information card for entry 7008794

Structure parameters

• Formula: C12 H18 N8 O6
• Calculated formula: C12 H18 N8 O6
• SMILES: c1(nccc[nH+]1)NCCCCNc1nccc[nH+]1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Ag(i) complexes with alkylidene-bis(2-aminopyrimidines) as building units for discrete metallomacrocyclic frames. A structural and solution study
• Authors of publication: García-Raso, Angel; Fiol, Juan J.; Tasada, Andrés; Albertí, Francisca M.; Molins, Elies; Basallote, Manuel G.; Máñez, María A.; Fernández-Trujillo, María J.; Sánchez, David
• Journal of publication: Dalton Transactions
• Year of publication: 2005
• Journal issue: 23
• Pages of publication: 3763
• a: 4.8927 ± 0.0007 Å
• b: 7.4395 ± 0.0014 Å
• c: 12.6052 ± 0.0015 Å
• α: 107.169 ± 0.014°
• β: 90.492 ± 0.011°
• γ: 108.333 ± 0.014°
• Cell volume: 413.51 ± 0.12 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No