Information card for entry 4345928

Structure parameters

• Formula: C59 H68 Cu2 F12 N4
• Calculated formula: C59 H68 Cu2 F12 N4
• 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: 14.0542 ± 0.0002 Å
• b: 22.2862 ± 0.0004 Å
• c: 18.7418 ± 0.0003 Å
• α: 90°
• β: 91.8186 ± 0.0015°
• γ: 90°
• Cell volume: 5867.25 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No