Information card for entry 7034851

Structure parameters

• Formula: C40 H38 Cl F6 N6 O P Ru
• Calculated formula: C40 H38 Cl F6 N6 O 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: 12.0142 ± 0.0014 Å
• b: 13.6517 ± 0.0016 Å
• c: 24.769 ± 0.003 Å
• α: 74.903 ± 0.003°
• β: 81.701 ± 0.003°
• γ: 82.307 ± 0.003°
• Cell volume: 3861.4 ± 0.8 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: 0.091
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No