Information card for entry 7109444

Structure parameters

• Formula: C148 H126 Cl0 Cu6 F12 N12 O12 P6 S10
• Calculated formula: C148 H126 Cu6 F12 N12 O12 P6 S10
• SMILES: C12=C3CCCCC3=C3c4[n](cccc4)[Cu]45[S](=P13c1ccccc1)[Cu]1([n]3c2cccc3)[S]2=P3(C(=C6C(=C3c3cccc[n]13)CCCC6)c1cccc[n]1[Cu]12[S]2=P3(C(=C6C(=C3c3cccc[n]3[Cu]32[n]2c(C7=C8C(=C9P7(=[S]3[Cu]3([n]7c9cccc7)[S]7=P9(C(=C%10CCCCC%10=C9c9cccc[n]39)c3cccc[n]3[Cu]37[S]5=P5(C(=C7CCCCC7=C5c5cccc[n]35)c3cccc[n]43)c3ccccc3)c3ccccc3)c3ccccc3)CCCC8)cccc2)CCCC6)c2cccc[n]12)c1ccccc1)c1ccccc1.C(F)(F)(S(=O)(=O)[O-])F.O=S(=O)([O-])C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• 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: 14.961 ± 0.001 Å
• b: 18.271 ± 0.002 Å
• c: 19.021 ± 0.002 Å
• α: 118.348 ± 0.002°
• β: 104.38 ± 0.003°
• γ: 101.818 ± 0.002°
• Cell volume: 4102.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No