Information card for entry 7008793

Structure parameters

• Formula: C10 H14 N8 O6
• Calculated formula: C10 H14 N8 O6
• SMILES: c1([nH+]cccn1)NCCNc1[nH+]cccn1.O=N(=O)[O-].O=N(=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: 19.812 ± 0.002 Å
• b: 6.892 ± 0.01 Å
• c: 11.955 ± 0.002 Å
• α: 90°
• β: 114.135 ± 0.012°
• γ: 90°
• Cell volume: 1490 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.104
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No