Information card for entry 7053113

Structure parameters

• Formula: C26 H28 Br2 N6 O6
• Calculated formula: C26 H28 Br2 N6 O6
• 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: 7.2916 ± 0.0003 Å
• b: 13.7926 ± 0.0005 Å
• c: 14.493 ± 0.0006 Å
• α: 78.306 ± 0.002°
• β: 82.839 ± 0.002°
• γ: 80.576 ± 0.002°
• Cell volume: 1401.72 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No