Information card for entry 7109442

Structure parameters

• Formula: C53 H48 Cl6 Cu2 F6 N4 O6 P2 S2
• Calculated formula: C53 H48 Cl6 Cu2 F6 N4 O6 P2 S2
• SMILES: [Cu]1234[Cu]5(P61(C(=C1CCCCC1=C6c1[n]5cccc1)c1[n]3cccc1)c1ccccc1)([n]1c(C3=C5CCCCC5=C([P]23c2ccccc2)c2ncccc2)cccc1)[O]=S(=O)(O4)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Syntheses of CuI polymetallic assemblies from reaction of ligands bearing the 2,5-bis(2-pyridyl)phosphole fragment with CuII precursors
• Authors of publication: Mehdi El Sayed Moussa; Fabian Friess; Wenting Shen; Muriel Hissler; Regis Reau; Christophe Lescop
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6158
• a: 14.724 ± 0.004 Å
• b: 14.984 ± 0.004 Å
• c: 26.752 ± 0.007 Å
• α: 90°
• β: 98.041 ± 0.002°
• γ: 90°
• Cell volume: 5844 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• 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: 0.167
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No