Information card for entry 4309797

Structure parameters

• Common name: [MeB(3-(CF3)Pz)3]CuC2H4
• Formula: C15 H13 B Cu F9 N6
• Calculated formula: C15 H13 B Cu F9 N6
• SMILES: [Cu]123([n]4n([B](n5[n]1c(cc5)C(F)(F)F)(n1[n]2c(cc1)C(F)(F)F)C)ccc4C(F)(F)F)[CH2]=[CH2]3
• Title of publication: Fluorinated Tris(pyrazolyl)borate Ligands without the Problematic Hydride Moiety: Isolation of Copper(I) Ethylene and Copper(I)-Tin(II) Complexes Using [MeB(3-(CF3)Pz)3]-
• Authors of publication: H. V. Rasika Dias; Xiaoyu Wang; Himashinie V. K. Diyabalanage
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7322 - 7324
• a: 21.19 ± 0.004 Å
• b: 10.405 ± 0.002 Å
• c: 20.33 ± 0.004 Å
• α: 90°
• β: 117.336 ± 0.002°
• γ: 90°
• Cell volume: 3981.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No