Information card for entry 7231520

Structure parameters

• Chemical name: 'compound 2'
• Formula: C63.25 H55.5 Cl0.5 Cu F6 N4 O1.5 P3
• Calculated formula: C63.25 H55.5 Cl0.5 Cu F6 N4 O1.5 P3
• Title of publication: Cu(i) vs. Ru(ii) photosensitizers: elucidation of electron transfer processes within a series of structurally related complexes containing an extended π-system.
• Authors of publication: Zhang, Ying; Traber, Philipp; Zedler, Linda; Kupfer, Stephan; Gräfe, Stefanie; Schulz, Martin; Frey, Wolfgang; Karnahl, Michael; Dietzek, Benjamin
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 38
• Pages of publication: 24843 - 24857
• a: 12.3503 ± 0.0018 Å
• b: 21.56 ± 0.003 Å
• c: 23.198 ± 0.004 Å
• α: 102.835 ± 0.013°
• β: 94.635 ± 0.012°
• γ: 95.324 ± 0.012°
• Cell volume: 5963.9 ± 1.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1926
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.2269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No