Information card for entry 7031802

Structure parameters

• Formula: C68 H74 Cl15 F18 N8 P3 Ru
• Calculated formula: C68 H74 Cl15 F18 N8 P3 Ru
• Title of publication: Carbene based photochemical molecular assemblies for solar driven hydrogen generation.
• Authors of publication: Peuntinger, Katrin; Pilz, T. David; Staehle, Robert; Schaub, Markus; Kaufhold, Simon; Petermann, Lydia; Wunderlin, Markus; Görls, Helmar; Heinemann, Frank W.; Li, Jing; Drewello, Thomas; Vos, Johannes G.; Guldi, Dirk M.; Rau, Sven
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 13683 - 13695
• a: 13.0496 ± 0.0005 Å
• b: 17.8884 ± 0.0006 Å
• c: 20.1331 ± 0.0007 Å
• α: 105.144 ± 0.002°
• β: 101.312 ± 0.002°
• γ: 101.134 ± 0.002°
• Cell volume: 4297.7 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1262
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No