Information card for entry 2231183

Structure parameters

• Chemical name: <i>catena</i>-Poly[tris(2,4,6-trimethylanilinium) [(tetrachloridocadmium)-μ-chlorido]]
• Formula: C27 H42 Cd Cl5 N3
• Calculated formula: C27 H42 Cd Cl5 N3
• SMILES: [Cd](Cl)(Cl)(Cl)(Cl)(Cl)[Cl][Cd](Cl)(Cl)(Cl)Cl.[NH3+]c1c(C)cc(cc1C)C.[NH3+]c1c(C)cc(cc1C)C.c1(c(cc(cc1C)C)C)[NH3+].[NH3+]c1c(C)cc(cc1C)C.[NH3+]c1c(C)cc(cc1C)C.c1(c(cc(cc1C)C)C)[NH3+]
• Title of publication: <i>catena</i>-Poly[tris(2,4,6-trimethylanilinium) [(tetrachloridocadmium)-μ-chlorido]]
• Authors of publication: Rong, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1139
• a: 10.729 ± 0.002 Å
• b: 16.43 ± 0.003 Å
• c: 17.996 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3172.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes