Information card for entry 2202144

Structure parameters

• Formula: C26 H32 Cl4 N6 O16
• Calculated formula: C26 H32 Cl4 N6 O16
• SMILES: C(N(Cc1cccc[nH+]1)Cc1[nH+]cccc1)CN(Cc1cccc[nH+]1)Cc1[nH+]cccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: <i>N,N,N</i>',<i>N</i>'-Tetrakis(2-pyridiniomethyl)ethylenediamine tetraperchlorate
• Authors of publication: Shamila S. Gunatilleke; Richard E. Norman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o269 - o271
• a: 8.4278 ± 0.0002 Å
• b: 9.2848 ± 0.0002 Å
• c: 11.349 ± 0.0003 Å
• α: 100.223 ± 0.0009°
• β: 105.536 ± 0.001°
• γ: 94.4063 ± 0.0013°
• Cell volume: 834.76 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0742
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections: 0.969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No