Information card for entry 7216418

Structure parameters

• Formula: C90 H80 F6 N14 O24 Si
• Calculated formula: C90 H80 F6 N14 O24 Si
• SMILES: C(COc1ccc(cc1)NC(=O)c1ccc(N(=O)=O)cc1)[NH+](CCOc1ccc(cc1)NC(=O)c1ccc(N(=O)=O)cc1)CCOc1ccc(cc1)NC(=O)c1ccc(N(=O)=O)cc1.F[Si](F)(F)(F)([F-])[F-].C(COc1ccc(cc1)NC(=O)c1ccc(N(=O)=O)cc1)[NH+](CCOc1ccc(cc1)NC(=O)c1ccc(N(=O)=O)cc1)CCOc1ccc(cc1)NC(=O)c1ccc(N(=O)=O)cc1
• Title of publication: Dual modes of binding on the hexafluorosilicate anion by a C3v symmetric flexible tripodal amide ligand in solid state
• Authors of publication: Basu, Arghya; Chutia, Romen; Das, Gopal
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 4886
• a: 13.3641 ± 0.0007 Å
• b: 13.3641 ± 0.0007 Å
• c: 45.517 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7040.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1499
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.2801
• Weighted residual factors for all reflections included in the refinement: 0.314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No