Information card for entry 2017211

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2-ammonioethyl)propane-1,3-diaminium tris(perchlorate) chloride
• Formula: C7 H24 Cl4 N4 O12
• Calculated formula: C7 H24 Cl4 N4 O12
• SMILES: [NH3+]CC[NH2+]CCC[NH2+]CC[NH3+].[Cl-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-ammonioethyl)propane-1,3-diaminium tris(perchlorate) chloride
• Authors of publication: Szcześniak, Hanna B.; Patroniak, Violetta; Radecka-Paryzek, Wanda; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o371 - o373
• a: 7.9755 ± 0.0009 Å
• b: 11.2619 ± 0.0015 Å
• c: 11.4848 ± 0.0016 Å
• α: 77.358 ± 0.011°
• β: 78.991 ± 0.01°
• γ: 73.488 ± 0.011°
• Cell volume: 955.9 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0982
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes