Information card for entry 4345931

Structure parameters

• Formula: C52 H65 Cu F6 Mg N4
• Calculated formula: C52 H64 Cu F6 Mg 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: 15.5618 ± 0.0008 Å
• b: 14.1127 ± 0.0007 Å
• c: 23.1335 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5080.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1465
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No