Information card for entry 4063865

Structure parameters

• Formula: C52 H62 Cl2 N2 O P2 Ru2
• Calculated formula: C52 H42 Cl2 N2 O P2 Ru2
• Title of publication: Cycloruthenated Complexes from Iminophosphoranes: Synthesis, Structure, and Reactivity with Internal Alkynes
• Authors of publication: Aguilar, David; Bielsa, Raquel; Soler, Tatiana; Urriolabeitia, Esteban P.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 642
• a: 9.863 ± 0.0005 Å
• b: 9.4549 ± 0.0005 Å
• c: 24.7248 ± 0.0016 Å
• α: 90°
• β: 95.645 ± 0.006°
• γ: 90°
• Cell volume: 2294.5 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No