Information card for entry 4505011

Structure parameters

• Formula: C36 H30 Bi2 Cl12 N12 O6
• Calculated formula: C36 H30 Bi2 Cl12 N12 O6
• 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: 15.1595 ± 0.0002 Å
• b: 15.1595 ± 0.0002 Å
• c: 19.2129 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3823.78 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No