Information card for entry 2217724

Structure parameters

• Chemical name: bis(μ-benzene-18-crown-6)-3κ^6^O:4κO;4κ^6^O:3κO-bis(benzene-18-crown-6)- 1κ^6^O,6κ^6^O-tetra-μ-thiocyanato- 1:2κ^2^S:N;2:3κ^2^N:S;4:5κ^2^S:N;5:6κ^2^N:S-dithiocyanato- 2κN,5κN-2,5-dicopper(I)-1,3,4,6-tetrapotassium(I)
• Formula: C70 H96 Cu2 K4 N6 O24 S6
• Calculated formula: C70 H96 Cu2 K4 N6 O24 S6
• SMILES: [K]12345[O]6c7ccccc7[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K]12345[O]6c7ccccc7[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.N(=C=S)[Cu](N=C=S)N=C=S
• Title of publication: Tetrakis[(benzene-18-crown-6)potassium]bis[tris(thiocyanato)copper(I)]
• Authors of publication: Song, Xing-Min; Huang, Xian-Qiang; Dou, Jian-Min; Li, Da-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m489
• a: 9.702 ± 0.003 Å
• b: 13.119 ± 0.004 Å
• c: 17.968 ± 0.006 Å
• α: 91.015 ± 0.006°
• β: 97.167 ± 0.006°
• γ: 105.558 ± 0.006°
• Cell volume: 2182.8 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.2161
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes