Information card for entry 7056685

Structure parameters

• Formula: C24 H40 B Cu F4 N8
• Calculated formula: C24 H40 B Cu F4 N8
• SMILES: [B](F)(F)(F)[F-].C(#[N][Cu]([N]#CN1CCCCC1)([N]#CN1CCCCC1)[N]#CN1CCCCC1)N1CCCCC1
• Title of publication: Novel Family of Homoleptic Copper(I) Complexes Featuring Disubstituted Cyanamides: Combined Synthetic, Structural, and Theoretical Study
• Authors of publication: Melekhova, Anna A.; Novikov, Alexander S.; Panikorovsky, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 23
• Pages of publication: 14557 - 14566
• a: 8.871 ± 0.0007 Å
• b: 16.8165 ± 0.0014 Å
• c: 21.3749 ± 0.0014 Å
• α: 90°
• β: 114.521 ± 0.002°
• γ: 90°
• Cell volume: 2901.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No