Information card for entry 1515969

Structure parameters

• Chemical name: (3.10H+)2(SO42).7H2O
• Formula: C22 H38 N10 O17 S
• Calculated formula: C22 H38 N10 O17 S
• SMILES: S(=O)(=O)([O-])[O-].O.[nH]1[nH+]c(NC(=O)Nc2cc(N(=O)=O)ccc2)cc1C.O.O.O.O.O.[nH]1[nH+]c(NC(=O)Nc2cc(N(=O)=O)ccc2)cc1C.O
• Title of publication: Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator
• Authors of publication: Lloyd, Gareth O.; Steed, Jonathan W.
• Journal of publication: Soft Matter
• Year of publication: 2011
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 75
• a: 8.6019 ± 0.0001 Å
• b: 16.2504 ± 0.0002 Å
• c: 23.2724 ± 0.0003 Å
• α: 90°
• β: 91.1 ± 0.001°
• γ: 90°
• Cell volume: 3252.52 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No