Information card for entry 7027912

Structure parameters

• Formula: C52 H40 B Cu F4 N4 P2
• Calculated formula: C52 H40 B Cu F4 N4 P2
• Title of publication: Evidence for the localisation of electronic charge in electrochemically reduced copper(I) complexes with electron deficient ligands: a structural and spectroelectrochemical study ‡
• Authors of publication: Scott, Sonya M.; Gordon, Keith C.; Burrell, Anthony K.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 17
• Pages of publication: 2873
• a: 18.849 ± 0.011 Å
• b: 20.303 ± 0.009 Å
• c: 23.301 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8917 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.0812
• Goodness-of-fit parameter for all reflections: 0.959
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No