Information card for entry 7022220

Structure parameters

• Formula: C11 H13 N5 O3
• Calculated formula: C11 H13 N5 O3
• SMILES: O=C1N(c2c(nc(c(n2)C)C(=NO)C)C(=O)N1C)C
• Title of publication: Heteropolyhedral silver compounds containing the polydentate ligand N,N,O-E-[6-(hydroxyimino)ethyl]-1,3,7-trimethyllumazine. Preparation, spectral and XRD structural study and AIM calculations.
• Authors of publication: Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Fernández-Liencres, M Paz; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 530 - 541
• a: 8.14 ± 0.003 Å
• b: 8.304 ± 0.0015 Å
• c: 9.365 ± 0.005 Å
• α: 94.1 ± 0.02°
• β: 106.43 ± 0.03°
• γ: 110.59 ± 0.02°
• Cell volume: 558 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 77 ± 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: 0.175
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No