Information card for entry 4345934

Structure parameters

• Formula: C46 H49 Cu F10 N4 Zn
• Calculated formula: C46 H49 Cu F10 N4 Zn
• 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: 14.6898 ± 0.0007 Å
• b: 13.7067 ± 0.0005 Å
• c: 22.9433 ± 0.001 Å
• α: 90°
• β: 102.708 ± 0.005°
• γ: 90°
• Cell volume: 4506.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No