Information card for entry 7109464

Structure parameters

• Formula: C56 H46 Ag2 F6 N2 O4 P2
• Calculated formula: C56 H46 Ag2 F6 N2 O4 P2
• SMILES: c1cc(cc[n]1[Ag](OC(=O)C(F)(F)F)[P](CC[P]([Ag]([n]1ccc(cc1)/C=C/c1ccccc1)OC(=O)C(F)(F)F)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)/C=C/c1ccccc1
• Title of publication: Influence of C-H^...^pi interactions on the solid-state [2+2] cycloaddition reaction of a Ag(I) coordination complex in an inorganic co-crystal
• Authors of publication: Goutam Kumar Kole; Raghavender Medishetty; Lip Lin Koh; Jagadese J. Vittal
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6298
• a: 12.55 ± 0.002 Å
• b: 13.733 ± 0.002 Å
• c: 14.479 ± 0.003 Å
• α: 90°
• β: 90.245 ± 0.005°
• γ: 90°
• Cell volume: 2495.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No