Information card for entry 2217135

Structure parameters

• Chemical name: {Bis[2-(diphenylphosphanyl)phenyl] ether-κ^2^<i>P,P'</i>}(1,1'-dibenzyl-1<i>H</i>,1'<i>H</i>-4,4'-bi- 1,2,3-triazole-κ^2^<i>N,N'</i>)copper(I) hexafluoridophosphate dichloromethane hemisolvate
• Formula: C54.5 H45 Cl Cu F6 N6 O P3
• Calculated formula: C54.25 H44.5 Cl0.5 Cu F6 N6 O P3
• Title of publication: {Bis[2-(diphenylphosphanyl)phenyl] ether-κ^2^<i>P,P</i>'}(1,1'-dibenzyl-1<i>H</i>,1'<i>H</i>-4,4'bi-1,2,3-triazole-κ^2^<i>N^3^,N</i>^3'^)copper(I) hexafluoridophosphate dichloromethane hemisolvate
• Authors of publication: Uwe Monkowius; Stefan Ritter; Burkhard König; Hartmut Yersin; Manfred Zabel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m195 - m195
• a: 13.566 ± 0.001 Å
• b: 14.371 ± 0.001 Å
• c: 29.021 ± 0.003 Å
• α: 83.3 ± 0.01°
• β: 87.33 ± 0.01°
• γ: 71.99 ± 0.01°
• Cell volume: 5343.5 ± 0.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes