Information card for entry 2202953

Structure parameters

• Chemical name: Tris(2-ammonioethyl)amine tris({2-[(2,6-dichlorophenyl)amino]phenyl}acetate) hexahydrate
• Formula: C48 H63 Cl6 N7 O12
• Calculated formula: C48 H53 Cl6 N7 O12
• Title of publication: Tris(2-ammonioethyl)amine tris({2-[(2,6-dichlorophenyl)amino]phenyl}acetate) hexahydrate
• Authors of publication: Daniel E. Lynch; Ajmer S. Bening; Simon Parsons
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1314 - o1317
• a: 22.677 ± 0.004 Å
• b: 9.3735 ± 0.0017 Å
• c: 26.415 ± 0.005 Å
• α: 90°
• β: 105.176 ± 0.017°
• γ: 90°
• Cell volume: 5419 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No