Information card for entry 4084744

Structure parameters

• Formula: C47 H42 Cl5 N4 O2 P Ru
• Calculated formula: C47 H42 Cl5 N4 O2 P Ru
• Title of publication: Carbon-Rich Ruthenium Allenylidene Complexes Bearing Heteroscorpionate Ligands
• Authors of publication: Strinitz, Frank; Tucher, Johannes; Januszewski, Johanna A.; Waterloo, Andreas R.; Stegner, Philipp; Förtsch, Sebastian; Hübner, Eike; Tykwinski, Rik R.; Burzlaff, Nicolai
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5129
• a: 12.027 ± 0.001 Å
• b: 12.4223 ± 0.0006 Å
• c: 14.9179 ± 0.0013 Å
• α: 98.766 ± 0.005°
• β: 95.117 ± 0.008°
• γ: 97.919 ± 0.006°
• Cell volume: 2167.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0737
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1739
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No