Information card for entry 4505010

Structure parameters

• Formula: C18 H15 Cl6 N6 O3 Sb
• Calculated formula: C18 H15 Cl6 N6 O3 Sb
• SMILES: [Sb](Cl)(Cl)(Cl)([Cl-])[Cl-].n1c(nc(nc1c1[nH+]cccc1)c1cccc[nH+]1)c1[nH+]cccc1.[Cl-].O.O.O
• 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: 9.5743 ± 0.0009 Å
• b: 15.4364 ± 0.0016 Å
• c: 17.857 ± 0.0017 Å
• α: 90°
• β: 96.185 ± 0.002°
• γ: 90°
• Cell volume: 2623.8 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No