Information card for entry 7030361

Structure parameters

• Formula: C61 H60 F3 O5 P5 Ru S Si
• Calculated formula: C61 H60 F3 O5 P5 Ru S Si
• Title of publication: Synthesis and electronic structure of the first cyaphide-alkynyl complexes.
• Authors of publication: Trathen, Nicola; Leech, Matthew C.; Crossley, Ian R.; Greenacre, Victoria K.; Roe, S. Mark
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9004 - 9007
• a: 27.1458 ± 0.0006 Å
• b: 12.4837 ± 0.0003 Å
• c: 18.895 ± 0.0005 Å
• α: 90°
• β: 102.193 ± 0.002°
• γ: 90°
• Cell volume: 6258.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No