Information card for entry 2213575

Structure parameters

• Chemical name: Bis(18-crown-6)-1κ^6^O,3κ^6^O-bis(μ-1,1-dicyanoethylene-2,2-dithiolato)- 1:2κ^3^N:S,S';2:3κ^3^S,S':N-dipotassium(I)copper(II) 1,2-dichloroethane solvate
• Formula: C34 H52 Cl2 Cu K2 N4 O12 S4
• Calculated formula: C34 H52 Cl2 Cu K2 N4 O12 S4
• SMILES: [K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.N#CC(=C1S[Cu]2(S1)SC(=C(C#N)C#N)S2)C#N.C(Cl)CCl.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: Bis(18-crown-6)-1κ^6^<i>O</i>,3κ^6^<i>O</i>-bis(μ-1,1-dicyanoethylene-2,2-dithiolato)-1:2κ^3^<i>N</i>:<i>S</i>,<i>S</i>';2:3κ^3^<i>S</i>,<i>S</i>':<i>N</i>-dipotassium(I)copper(II) 1,2-dichloroethane solvate
• Authors of publication: Shi-Zhou Fu; Da-Qi Wang; Jian-Ming Dou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1522 - m1522
• a: 8.259 ± 0.003 Å
• b: 13.084 ± 0.004 Å
• c: 22.228 ± 0.007 Å
• α: 90°
• β: 90.413 ± 0.006°
• γ: 90°
• Cell volume: 2401.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.15
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes