Information card for entry 4508734

Structure parameters

• Common name: [{Cu(acac)(phen)}2{Au(CN)2}](ClO4)
• Formula: C36 H30 Au Cl Cu2 N6 O8
• Calculated formula: C36 H30 Au Cl Cu2 N6 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)[O]=C(C)C=C(C)O3)O1.Cl(=O)(=O)(=O)[O-]
• 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: 12.2575 ± 0.0013 Å
• b: 13.6244 ± 0.0008 Å
• c: 23.0234 ± 0.0017 Å
• α: 90.406 ± 0.006°
• β: 100.333 ± 0.008°
• γ: 94.192 ± 0.005°
• Cell volume: 3771.7 ± 0.5 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: 0.1556
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No