Information card for entry 4505009

Structure parameters

• Formula: C18 H15 Cl6 Fe N6
• Calculated formula: C18 H15 Cl6 Fe N6
• 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: 14.6022 ± 0.0009 Å
• b: 14.6022 ± 0.0009 Å
• c: 18.5768 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3430.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0386
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 2.667
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No