Information card for entry 4508735

Structure parameters

• Common name: [{Cu(acac)(phen)}2{Au(CN)2}](ClO4)
• Formula: C37 H31.5 Au Cl Cu2 N6.5 O8
• Calculated formula: C37 H31.5 Au Cl Cu2 N6.5 O8
• SMILES: CC1=CC(C)=[O][Cu]2([n]3cccc4c3c3c(ccc[n]23)cc4)([N]#C[Au]C#[N][Cu]23([n]4cccc5c4c4c(ccc[n]24)cc5)OC(=CC(C)=[O]3)C)O1.Cl(=O)(=O)(=O)[O-].C(#N)C
• Title of publication: Rational Design of Supramolecular Gridlike Layers and Zigzag Chains through a Unique Interplay of d10−d10and π−π Stacking Interactions
• Authors of publication: Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 1671
• a: 11.1506 ± 0.0012 Å
• b: 13.4704 ± 0.0012 Å
• c: 28.35 ± 0.003 Å
• α: 83.315 ± 0.008°
• β: 82.568 ± 0.008°
• γ: 68.127 ± 0.008°
• Cell volume: 3907.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.145
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No