Information card for entry 7210028

Structure parameters

• Formula: C12 H10 F4 N4
• Calculated formula: C12 H10 F4 N4
• SMILES: c1(ncc(c2c(c(c(N(C)C)c(c2F)F)F)F)cn1)N
• Title of publication: Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview
• Authors of publication: Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 4225
• a: 7.4891 ± 0.0019 Å
• b: 13.333 ± 0.002 Å
• c: 51.316 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5124 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No