Information card for entry 7021510

Structure parameters

• Formula: C8 H12 B Cu F4 N4
• Calculated formula: C8 H12 B Cu F4 N4
• SMILES: C(C)#[N][Cu]([N]#CC)([N]#CC)[N]#CC.[B](F)(F)(F)[F-]
• Title of publication: Tuning stoichiometry and supramolecular assembly in perfluorinated indazolato coinage metal complexes.
• Authors of publication: Kleinwächter, Michael; Vendier, Laure; Dinoi, Chiara; Etienne, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 28
• Pages of publication: 10102 - 10105
• a: 23.705 ± 0.005 Å
• b: 8.276 ± 0.005 Å
• c: 20.188 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3961 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No