Information card for entry 7023490

Structure parameters

• Formula: C10 H16 N4 O2
• Calculated formula: C10 H16 N4 O2
• SMILES: c1(OC)nc(OC)nc(n1)N1CCCCC1
• Title of publication: Convenient syntheses of cyanuric chloride-derived NHC ligands, their Ag(I) and Au(I) complexes and antimicrobial activity.
• Authors of publication: Almalioti, Foteini; MacDougall, James; Hughes, Stephen; Hasson, Mohammed M.; Jenkins, Robert L.; Ward, Benjamin D.; Tizzard, Graham J.; Coles, Simon J.; Williams, David W.; Bamford, Sarah; Fallis, Ian A.; Dervisi, Athanasia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 34
• Pages of publication: 12370 - 12380
• a: 7.3461 ± 0.0006 Å
• b: 8.7159 ± 0.0008 Å
• c: 8.8803 ± 0.0009 Å
• α: 91.82 ± 0.007°
• β: 102.865 ± 0.007°
• γ: 100.602 ± 0.007°
• Cell volume: 543.28 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0854
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2089
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No