Information card for entry 7039922

Structure parameters

• Formula: C28 H22 Cl2 F17 N3 O2 S Zn
• Calculated formula: C28 H22 Cl2 F17 N3 O2 S Zn
• SMILES: [Zn]12(Cl)(Cl)[n]3c(c4[n]2cccc4)cc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3c2[n]1cccc2.S(=O)(C)C
• Title of publication: Metallogel formation in aqueous DMSO by perfluoroalkyl decorated terpyridine ligands.
• Authors of publication: Tatikonda, Rajendhraprasad; Bhowmik, Sandip; Rissanen, Kari; Haukka, Matti; Cametti, Massimo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 12756 - 12762
• a: 7.6578 ± 0.0003 Å
• b: 10.7944 ± 0.0004 Å
• c: 20.9475 ± 0.001 Å
• α: 96.942 ± 0.004°
• β: 92.184 ± 0.004°
• γ: 95.173 ± 0.003°
• Cell volume: 1709.75 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No