Information card for entry 7018185

Structure parameters

• Common name: 1,6,7,12-Tetraazaperylene
• Chemical name: 1,6,7,12-Tetraazaperylene
• Formula: C18 H10 Cl6 N4
• Calculated formula: C18 H10 Cl6 N4
• SMILES: c1cc2ccnc3c4c5c(c(c23)n1)nccc5ccn4.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Mono- and dinuclear ruthenium(ii) 1,6,7,12-tetraazaperylene complexes.
• Authors of publication: Brietzke, Thomas; Mickler, Wulfhard; Kelling, Alexandra; Holdt, Hans-Jürgen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2788 - 2797
• a: 18.436 ± 0.004 Å
• b: 5.6121 ± 0.0007 Å
• c: 19.241 ± 0.004 Å
• α: 90°
• β: 97.222 ± 0.017°
• γ: 90°
• Cell volume: 1975 ± 0.6 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 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: 0.0524
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No