Information card for entry 7030362

Structure parameters

• Formula: C62 H55 O P5 Ru
• Calculated formula: C62 H55 O P5 Ru
• 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: 9.9951 ± 0.0007 Å
• b: 11.9374 ± 0.0006 Å
• c: 21.7684 ± 0.0013 Å
• α: 85.981 ± 0.005°
• β: 86.336 ± 0.005°
• γ: 85.461 ± 0.005°
• Cell volume: 2578.3 ± 0.3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No