Information card for entry 4345930

Structure parameters

• Formula: C52 H65 Cu F6 N4 Zn
• Calculated formula: C52 H65 Cu F6 N4 Zn
• SMILES: [Zn]12(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[Cu]1([H]2)N(C(=CC(=[N]1c1c(cc(cc1C)C)C)C(F)(F)F)C(F)(F)F)c1c(cc(cc1C)C)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: 11.2064 ± 0.0004 Å
• b: 12.6573 ± 0.0005 Å
• c: 19.4151 ± 0.0007 Å
• α: 87.006 ± 0.003°
• β: 88.111 ± 0.003°
• γ: 67.584 ± 0.004°
• Cell volume: 2542.08 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No