Information card for entry 2232738

Structure parameters

• Chemical name: Octakis(3-methylanilinium) hexachloridocadmate tetrachloride
• Formula: C56 H80 Cd Cl10 N8
• Calculated formula: C56 H80 Cd Cl10 N8
• SMILES: c1(cc(ccc1)C)[NH3+].Cc1cc([NH3+])ccc1.[NH3+]c1cc(ccc1)C.Cc1cc([NH3+])ccc1.[Cd](Cl)(Cl)([Cl-])([Cl-])([Cl-])[Cl-].[Cl-].[Cl-].c1(cc(ccc1)C)[NH3+].Cc1cc([NH3+])ccc1.[NH3+]c1cccc(C)c1.[NH3+]c1cc(ccc1)C.[Cl-].[Cl-]
• Title of publication: Octakis(3-methylanilinium) hexachloridocadmate tetrachloride
• Authors of publication: Liu, Ming-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1827
• a: 8.8863 ± 0.0018 Å
• b: 14.116 ± 0.003 Å
• c: 14.251 ± 0.003 Å
• α: 87.92 ± 0.03°
• β: 71.88 ± 0.03°
• γ: 75.2 ± 0.03°
• Cell volume: 1640.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes