Information card for entry 2201990

Structure parameters

• Common name: Cu2 P6 F12 C58 H56 N4
• Chemical name: Bis[μ-bis(diphenylphosphino)methane-κ^2^P:P']bis[diacetonitrilecopper(I)] bis(hexafluorophosphate)
• Formula: C58 H56 Cu2 F12 N4 P6
• Calculated formula: C58 H56 Cu2 F12 N4 P6
• SMILES: C(C)#[N][Cu]1([N]#CC)[P](c2ccccc2)(c2ccccc2)C[P]([Cu]([N]#CC)([N]#CC)[P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bis[μ-bis(diphenylphosphino)methane-κ^2^<i>P</i>:<i>P</i>']bis[diacetonitrilecopper(I)] bis(hexafluorophosphate)
• Authors of publication: Wu, Mei-Mei; Zhang, Li-Yi; Qin, Yong-Hai; Chen, Zhong-Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m195 - m196
• a: 22.5125 ± 0.0003 Å
• b: 13.1916 ± 0.0002 Å
• c: 21.6096 ± 0.0003 Å
• α: 90°
• β: 108.748 ± 0.001°
• γ: 90°
• Cell volume: 6077.02 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0937
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes