Information card for entry 2241881

Structure parameters

• Chemical name: Bis[μ-1,4-bis(diphenylphosphanyl)butane-κ^2^<i>P</i>:<i>P</i>']bis[(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I)] bis(hexafluoridophosphate) dichloromethane disolvate
• Formula: C90 H92 Cl4 Cu2 F12 N4 P6
• Calculated formula: C90 H92 Cl4 Cu2 F12 N4 P6
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P]1(c2ccccc2)(CCCC[P](c2ccccc2)(c2ccccc2)[Cu]2([P](c3ccccc3)(CCCC[P](c3ccccc3)([Cu]31[n]1c4c5c(c(c(C)c[n]35)C)ccc4c(c(c1)C)C)c1ccccc1)c1ccccc1)[n]1c3c4c(c(c(C)c[n]24)C)ccc3c(c(c1)C)C)c1ccccc1.ClCCl.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Crystal structure of bis[μ-1,4-bis(diphenylphosphanyl)butane-κ^2^<i>P</i>:<i>P</i>']bis[(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I)] bis(hexafluoridophosphate) dichloromethane disolvate
• Authors of publication: Nishikawa, Michihiro; Mutsuura, Kotaro; Tsubomura, Taro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 1554 - 1556
• a: 11.723 ± 0.015 Å
• b: 12.967 ± 0.016 Å
• c: 16.06 ± 0.02 Å
• α: 108.302 ± 0.013°
• β: 98.665 ± 0.012°
• γ: 103.284 ± 0.013°
• Cell volume: 2189 ± 5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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 significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes