Information card for entry 7231519

Structure parameters

• Chemical name: 'compound 1'
• Formula: C63 H51 Cu F6 N7 O P3
• Calculated formula: C63 H51 Cu F6 N7 O 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: 11.44 ± 0.004 Å
• b: 28.561 ± 0.009 Å
• c: 18.045 ± 0.006 Å
• α: 90°
• β: 107.39 ± 0.014°
• γ: 90°
• Cell volume: 5626 ± 3 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 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: 0.1092
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No