Information card for entry 7709486

Structure parameters

• Common name: dicopper(II) complex of orthophenylene linked macrocycles
• Chemical name: VSX185
• Formula: C48 H50 B2 Cu2 F8 N10
• Calculated formula: C48 H50 B2 Cu2 F8 N10
• Title of publication: Mono-copper far more active than analogous di-copper complex for electrocatalytic hydrogen evolution.
• Authors of publication: Singh, Varinder; Abudayyeh, Abdullah M.; Robb, Matthew G.; Brooker, Sally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 4166 - 4172
• a: 9.3827 ± 0.0002 Å
• b: 13.8186 ± 0.0004 Å
• c: 18.5659 ± 0.0005 Å
• α: 77.963 ± 0.002°
• β: 84.825 ± 0.002°
• γ: 81.221 ± 0.002°
• Cell volume: 2322.42 ± 0.11 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0521
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No