Information card for entry 2232666

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2-azaniumylbenzyl)ethane-1,2-diaminium tetrachloride
• Formula: C16 H26 Cl4 N4
• Calculated formula: C16 H26 Cl4 N4
• SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[NH3+]c1ccccc1C[NH2+]CC[NH2+]Cc1ccccc1[NH3+]
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-azaniumylbenzyl)ethane-1,2-diaminium tetrachloride
• Authors of publication: Garza Rodríguez, Luis Ángel; Bernès, Sylvain; Elizondo Martínez, Perla; Nájera Martínez, Blanca; Pérez Rodríguez, Nancy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3237 - o3238
• a: 8.6827 ± 0.0013 Å
• b: 11.4831 ± 0.0017 Å
• c: 11.7317 ± 0.0017 Å
• α: 117.773 ± 0.01°
• β: 101.826 ± 0.014°
• γ: 94.387 ± 0.016°
• Cell volume: 992.8 ± 0.3 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes