Information card for entry 1515971

Structure parameters

• Chemical name: (3.10H+)(BF4).3.10
• Formula: C22 H23 B F4 N10 O6
• Calculated formula: C22 H23 B F4 N10 O6
• SMILES: [F-][B](F)(F)F.Cc1[nH][nH+]c(c1)NC(=O)Nc1cccc(c1)N(=O)=O.Cc1n[nH]c(c1)NC(=O)Nc1cccc(c1)N(=O)=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: 7.5596 ± 0.0004 Å
• b: 12.6366 ± 0.0006 Å
• c: 13.7797 ± 0.0006 Å
• α: 100.661 ± 0.001°
• β: 94.926 ± 0.002°
• γ: 96.37 ± 0.002°
• Cell volume: 1277.98 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No