Information card for entry 7706339

Structure parameters

• Formula: C45 H33 F6 N3 O7 P Re
• Calculated formula: C45 H33 F6 N3 O7 P Re
• Title of publication: Quenching of the phosphorescence of thermally reversible photochromic naphthopyran Re(i) complexes initiated by either visible or ultraviolet radiation.
• Authors of publication: De Azevedo, Orlando D. C. C.; Elliott, Paul I. P.; Gabbutt, Christopher D.; Heron, B. Mark; Jacquemin, Denis; Rice, Craig R.; Scattergood, Paul A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 830 - 834
• a: 11.08 ± 0.0007 Å
• b: 14.2305 ± 0.0009 Å
• c: 30.792 ± 0.002 Å
• α: 90°
• β: 97.803 ± 0.002°
• γ: 90°
• Cell volume: 4810.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.1297
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.1794
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0735
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No