Information card for entry 2227091

Structure parameters

• Chemical name: [μ-1,2-Bis(diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>']bis{[1,2- bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']cyanidocopper(I)} methanol disolvate
• Formula: C82 H80 Cu2 N2 O2 P6
• Calculated formula: C82 H80 Cu2 N2 O2 P6
• SMILES: C(#N)[Cu]1([P](CC[P](c2ccccc2)(c2ccccc2)[Cu]2(C#N)[P](CC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.OC.OC
• Title of publication: [μ-1,2-Bis(diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>']bis{[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']cyanidocopper(I)} methanol disolvate
• Authors of publication: Wang, Rong; Xiao, Ye-Lan; Jin, Qiong-Hua; Zhang, Cun-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m1032
• a: 23.423 ± 0.002 Å
• b: 17.7912 ± 0.0016 Å
• c: 17.6614 ± 0.0018 Å
• α: 90°
• β: 92.194 ± 0.001°
• γ: 90°
• Cell volume: 7354.5 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes