Information card for entry 2228865

Structure parameters

• Chemical name: Bis{<i>N</i>,<i>N</i>-bis[(diphenylphosphanyl)methyl]aniline- κ^2^<i>P</i>,<i>P</i>'}copper(I) tetrafluoridoborate
• Formula: C64 H58 B Cu F4 N2 P4
• Calculated formula: C64 H58 B Cu F4 N2 P4
• SMILES: c1(ccccc1)N1C[P](c2ccccc2)(c2ccccc2)[Cu]2([P](C1)(c1ccccc1)c1ccccc1)[P](CN(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Bis{<i>N</i>,<i>N</i>-bis[(diphenylphosphanyl)methyl]aniline-κ^2^<i>P</i>,<i>P</i>'}copper(I) tetrafluoridoborate
• Authors of publication: Shang, Jing; Huang, Li-Li; Huang, Ting-Hong; Ma, Kai; Ni, Qing-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m96
• a: 11.004 ± 0.002 Å
• b: 12.642 ± 0.003 Å
• c: 21.725 ± 0.004 Å
• α: 79.601 ± 0.003°
• β: 78.593 ± 0.003°
• γ: 76.11 ± 0.003°
• Cell volume: 2847.7 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0933
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes