Information card for entry 2227486

Structure parameters

• Chemical name: 3,10-<i>C</i>-<i>meso</i>-3,5,7,7,10,12,14,14-Octamethyl-4,11-diaza-1,8- diazoniacyclotetradecane bis(perchlorate)
• Formula: C18 H42 Cl2 N4 O8
• Calculated formula: C18 H42 Cl2 N4 O8
• SMILES: Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[NH2+]1C[C@H](N[C@H](C)CC([NH2+]C[C@@H](N[C@H](C)CC1(C)C)C)(C)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[NH2+]1C[C@@H](N[C@@H](C)CC([NH2+]C[C@H](N[C@@H](C)CC1(C)C)C)(C)C)C
• Title of publication: 3,10-<i>C</i>-<i>meso</i>-3,5,7,7,10,12,14,14-Octamethyl-4,11-diaza-1,8-diazoniacyclotetradecane bis(perchlorate)
• Authors of publication: Roy, Tapashi G.; Hazari, Saroj K. S.; Barua, Kanak K.; Palit, Provi; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2196 - o2197
• a: 8.868 ± 0.002 Å
• b: 16.297 ± 0.003 Å
• c: 17.754 ± 0.005 Å
• α: 90°
• β: 102.088 ± 0.005°
• γ: 90°
• Cell volume: 2508.9 ± 1 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes