Information card for entry 7109443

Structure parameters

• Formula: C144 H126 Cl0 Cu6 F0 N12 O0 P6 S6
• Calculated formula: C144 H126 Cu6 N12 P6 S6
• SMILES: C12=C3CCCCC3=C3c4[n](cccc4)[Cu]45[S](=P13c1ccccc1)[Cu]1([n]3c2cccc3)[S]2=P3(C(=C6CCCCC6=C3c3[n]1cccc3)c1[n]([Cu]32[n]2c(C6=C7C(=C8P6(=[S]3[Cu]3([n]6c(C9=C%10C(=C%11P9(=[S]3[Cu]3([n]9c%11cccc9)[S]9=P%11(C(=C%12CCCCC%12=C%11c%11[n]3cccc%11)c3[n]([Cu]%119[S]4=P4(C(=C9C(=C4c4[n]%11cccc4)CCCC9)c4[n]5cccc4)c4ccccc4)cccc3)c3ccccc3)c3ccccc3)CCCC%10)cccc6)[n]3c8cccc3)c3ccccc3)CCCC7)cccc2)cccc1)c1ccccc1
• 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: 16.956 ± 0.002 Å
• b: 18.436 ± 0.003 Å
• c: 19.618 ± 0.002 Å
• α: 109.285 ± 0.002°
• β: 102.617 ± 0.003°
• γ: 113.337 ± 0.002°
• Cell volume: 4864.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1301
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No