Information card for entry 7034852

Structure parameters

• Formula: C37 H28 Cl F6 N8 O2 P Ru
• Calculated formula: C37 H28 Cl F5.96 N8 O2 P Ru
• Title of publication: Alkyne substituted mononuclear photocatalysts based on [RuCl(bpy)(tpy)](.).
• Authors of publication: Davidson, Ross J.; Wilson, Lucy E.; Duckworth, Andrew R.; Yufit, Dmitry S.; Beeby, Andrew; Low, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11368 - 11379
• a: 10.5971 ± 0.0004 Å
• b: 12.7714 ± 0.0005 Å
• c: 15.9819 ± 0.0006 Å
• α: 69.051 ± 0.001°
• β: 74.788 ± 0.001°
• γ: 68.191 ± 0.001°
• Cell volume: 1854.38 ± 0.12 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0783
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No