Information card for entry 4345933

Structure parameters

• Formula: C23 H17 B Cu F10 N3
• Calculated formula: C23 H17 B Cu F10 N3
• SMILES: [Cu]12(N(C(=CC(=[N]1c1c(F)c(F)c(F)c(F)c1F)C)C)c1c(F)c(F)c(F)c(F)c1F)[H][BH]([H]2)[n]1c(cccc1)C
• Title of publication: Reversible Coordination of Boron-, Aluminum-, Zinc-, Magnesium-, and Calcium-Hydrogen Bonds to Bent {CuL2} Fragments: Heavy σ Complexes of the Lightest Coinage Metal.
• Authors of publication: Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 15
• Pages of publication: 8669 - 8682
• a: 15.326 ± 0.0004 Å
• b: 13.3574 ± 0.0005 Å
• c: 11.8161 ± 0.0004 Å
• α: 90°
• β: 93.483 ± 0.003°
• γ: 90°
• Cell volume: 2414.47 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No