Information card for entry 7023484

Structure parameters

• Formula: C16 H22 F12 N8 P2
• Calculated formula: C16 H22 F12 N8 P2
• 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: 12.9534 ± 0.0006 Å
• b: 12.4354 ± 0.0003 Å
• c: 15.5327 ± 0.0007 Å
• α: 90°
• β: 99.439 ± 0.002°
• γ: 90°
• Cell volume: 2468.14 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No