Information card for entry 7031234

Structure parameters

• Formula: C26 H24 Cu F6 N20 P
• Calculated formula: C26 H24 Cu F6 N20 P
• Title of publication: In search of redox non-innocence between a tetrazine pincer ligand and monovalent copper.
• Authors of publication: Hui, Alice K.; Lord, Richard L.; Caulton, Kenneth G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7958 - 7963
• a: 11.5372 ± 0.0009 Å
• b: 21.009 ± 0.002 Å
• c: 14.3469 ± 0.0012 Å
• α: 90°
• β: 104.884 ± 0.004°
• γ: 90°
• Cell volume: 3360.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No