Information card for entry 4122768

Structure parameters

• Formula: C49 H54 Ag2 Cl2 F12 N8 O2 P2 S2
• Calculated formula: C49 H54 Ag2 Cl2 F12 N8 O2 P2 S2
• Title of publication: Porous molecular crystals by macrocyclic coordination supramolecules.
• Authors of publication: Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 42
• Pages of publication: 14883 - 14895
• a: 22.553 ± 0.003 Å
• b: 12.525 ± 0.001 Å
• c: 20.818 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5880.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No