Information card for entry 1542587

Structure parameters

• Formula: C25 H23 N5 O8
• Calculated formula: C25 H19 N5 O8.52
• SMILES: O(CC#C)c1ccc(cc1)c1cc(nc(c1)c1[nH+]cccc1)c1[nH+]cccc1.O=N(=O)[O-].O.OC.O=N(=O)[O-]
• Title of publication: Anion triggered metallogels: demetalation and crystal growth inside the gel matrix and improvement in viscoelastic properties using Au-NPs.
• Authors of publication: Biswas, Arnab; Dubey, Mrigendra; Mukhopadhyay, Sujay; Kumar, Ashish; Pandey, Daya Shankar
• Journal of publication: Soft matter
• Year of publication: 2016
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 2997 - 3003
• a: 7.856 ± 0.005 Å
• b: 11.799 ± 0.007 Å
• c: 14.315 ± 0.008 Å
• α: 66.98 ± 0.014°
• β: 77.401 ± 0.015°
• γ: 74.377 ± 0.016°
• Cell volume: 1166.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2665
• Residual factor for significantly intense reflections: 0.1021
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71066 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No