Information card for entry 7111287

Structure parameters

• Formula: C62 H80 F12 N4 O16 P2
• Calculated formula: C62 H80 F12 N4 O16 P2
• SMILES: C(=O)(C)C.CC(=O)C.C(=O)(Nc1ccccc1)OCC[n+]1ccc(cc1)c1cc[n+](cc1)CCOC(=O)Nc1ccccc1.C1OCCOCCOCCOc2cc(ccc2)OCCOCCOCCOCCOc2cc(ccc2)OC1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: First supramolecular poly(taco complex)Electronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b3/b302682e/
• Authors of publication: Huang, Feihe; Fronczek, Frank R.; Gibson, Harry W.
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 13
• Pages of publication: 1480
• a: 10.594 ± 0.001 Å
• b: 22.508 ± 0.003 Å
• c: 28.391 ± 0.005 Å
• α: 90°
• β: 99.557 ± 0.007°
• γ: 90°
• Cell volume: 6675.9 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1859
• Residual factor for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections: 0.2262
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9604
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No