Information card for entry 4508733

Structure parameters

• Common name: [{Cu(acac)(phen)}2{Ag(CN)2}](ClO4)
• Formula: C36 H30 Ag Cl Cu2 N6 O8
• Calculated formula: C36 H30 Ag Cl Cu2 N6 O8
• SMILES: [Ag](C#[N][Cu]12(OC(=CC(=[O]1)C)C)[n]1c3c4[n]2cccc4ccc3ccc1)C#[N][Cu]12([O]=C(C=C(O1)C)C)[n]1c3c4[n]2cccc4ccc3ccc1.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: 11.2946 ± 0.001 Å
• b: 13.2756 ± 0.0011 Å
• c: 28.455 ± 0.003 Å
• α: 82.17 ± 0.011°
• β: 81.393 ± 0.012°
• γ: 69.467 ± 0.01°
• Cell volume: 3934.4 ± 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: 0.1202
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No