Information card for entry 7111813

Structure parameters

• Formula: C66 H58 Cl6 F18 N12
• Calculated formula: C66 H58 Cl6 F18 N12
• Title of publication: New porphyrin derivatives for phosphate anion sensing in both organic and aqueous media
• Authors of publication: Joao M. M. Rodrigues; Andreia S. F. Farinha; Paulino V. Muteto; Sandra M. Woranovicz-Barreira; Filipe A. Almeida Paz; Maria G. P. M. S. Neves; Jose A. S. Cavaleiro; Augusto C. Tome; M. Teresa S. R. Gomes; Jonathan L. Sessler; Joao P. C. Tome
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1359
• a: 14.6651 ± 0.0015 Å
• b: 25.318 ± 0.003 Å
• c: 46.706 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17342 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1629
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2558
• Weighted residual factors for all reflections included in the refinement: 0.2886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No