Information card for entry 7053115

Structure parameters

• Formula: C26 H30 N6 O14 S2
• Calculated formula: C26 H30 N6 O14 S2
• SMILES: c1[nH]cc[n+]1CCCN1C(=O)c2c3c4c(C(=O)N(CCC[n+]5c[nH]cc5)C(=O)c4cc2)ccc3C1=O.OS(=O)(=O)[O-].O.OS(=O)(=O)[O-].O
• 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: 8.5912 ± 0.0004 Å
• b: 12.595 ± 0.0006 Å
• c: 14.3918 ± 0.0007 Å
• α: 90°
• β: 106.76 ± 0.002°
• γ: 90°
• Cell volume: 1491.13 ± 0.12 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.2195
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No