Information card for entry 2239546

Structure parameters

• Chemical name: [μ-Butane-1,4-diylbis(diphenylphosphane)-κ^2^<i>P</i>:<i>P</i>']bis{[butane-1,4-diylbis(diphenylphosphane)-κ^2^<i>P</i>,<i>P</i>']copper(I)} bis(hexafluoridophosphate) diethyl ether disolvate
• Formula: C92 H104 Cu2 F12 O2 P8
• Calculated formula: C92 H104 Cu2 F12 O2 P8
• SMILES: c1c(cccc1)[P]([Cu]1[P](c2ccccc2)(c2ccccc2)CCCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)CCCC[P](c1ccccc1)(c1ccccc1)[Cu]1[P](c2ccccc2)(c2ccccc2)CCCC[P]1(c1ccccc1)c1ccccc1.CCOCC.[P](F)(F)(F)(F)(F)[F-].C(C)OCC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: [μ-Butane-1,4-diylbis(diphenylphosphane)-κ^2^<i>P</i>:<i>P</i>']bis{[butane-1,4-diylbis(diphenylphosphane)-κ^2^<i>P</i>,<i>P</i>']copper(I)} bis(hexafluoridophosphate) diethyl ether disolvate
• Authors of publication: Nishikawa, Michihiro; Akiyama, Asumi; Tsubomura, Taro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: m204 - m205
• a: 12.7912 ± 0.0013 Å
• b: 13.7023 ± 0.0016 Å
• c: 14.3811 ± 0.0013 Å
• α: 105.595 ± 0.003°
• β: 90.858 ± 0.002°
• γ: 111.932 ± 0.003°
• Cell volume: 2233.2 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes