Information card for entry 4505003

Structure parameters

• Formula: C18 H15 Cl6 N6 Sb
• Calculated formula: C18 H15 Cl6 N6 Sb
• SMILES: c1c(cc[nH+]c1)c1nc(c2cc[nH+]cc2)nc(c2cc[nH+]cc2)n1.Cl[Sb](Cl)(Cl)([Cl-])([Cl-])[Cl-]
• Title of publication: Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures
• Authors of publication: Podesta, Thomas J.; Orpen, A. Guy
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 681
• a: 14.6255 ± 0.0015 Å
• b: 14.6255 ± 0.0015 Å
• c: 18.848 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3491.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No