Information card for entry 2223876

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[acetonitrilecopper(I)]-bis[μ- bis(diphenylphosphino)methane-κ^2^<i>P</i>:<i>P</i>']-copper(I)- μ-1,2-di-4-pyridylethene] bis(tetrafluoridoborate)]
• Formula: C64 H57 B2 Cu2 F8 N3 P4
• Calculated formula: C64 H57 B2 Cu2 F8 N3 P4
• SMILES: [Cu]1([n]2ccc(cc2)/C=C/c2cc[n]([Cu]3[P](C[P]([Cu]([N]#CC)[P](C[P]3(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)cc2)([N]#CC)[P](C[P]([Cu]([n]2ccc(cc2)/C=C/c2ccncc2)[P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: <i>catena</i>-Poly[[[acetonitrilecopper(I)]-bis[μ-bis(diphenylphosphino)methane-κ^2^<i>P</i>:<i>P</i>']-copper(I)-μ-1,2-di-4-pyridylethene] bis(tetrafluoridoborate)]
• Authors of publication: Wang, Yufei; Gan, Xin; Jishu, Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1358
• a: 11.146 ± 0.007 Å
• b: 14.818 ± 0.009 Å
• c: 18.532 ± 0.011 Å
• α: 87.368 ± 0.01°
• β: 86.963 ± 0.011°
• γ: 84.992 ± 0.01°
• Cell volume: 3042 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1743
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes