Information card for entry 2014943

Structure parameters

• Chemical name: 1,3-bis{[2-(2-pyridinio)ethyl][2-(2-pyridyl)ethyl]amino}benzene diperchlorate dihydrate
• Formula: C34 H42 Cl2 N6 O10
• Calculated formula: C34 H42 Cl2 N6 O10
• Title of publication: The perchlorate salt of the novel diprotonated dinucleating ligand 1,3-bis{[2-(2-pyridinio)ethyl][2-(2-pyridyl)ethyl]amino}benzene
• Authors of publication: Gnana Sutha S.; Babu Varghese; Narasimha N. Murthy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o380 - o382
• a: 9.264 ± 0.004 Å
• b: 9.937 ± 0.006 Å
• c: 20.751 ± 0.008 Å
• α: 78.28 ± 0.04°
• β: 87.01 ± 0.03°
• γ: 77.31 ± 0.04°
• Cell volume: 1824.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.135
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes