Information card for entry 7053119

Structure parameters

• Formula: C26 H24 Cl2 N6 O12
• Calculated formula: C26 H24 Cl2 N6 O12
• Title of publication: Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide
• Authors of publication: Nath, Jayanta K.; Baruah, Jubaraj B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 5
• Pages of publication: 1509
• a: 9.5472 ± 0.0005 Å
• b: 24.1664 ± 0.001 Å
• c: 12.7016 ± 0.0005 Å
• α: 90°
• β: 101.922 ± 0.002°
• γ: 90°
• Cell volume: 2867.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No