Information card for entry 4087511

Structure parameters

• Formula: C63.5 H83 Cl N P3 Ru
• Calculated formula: C63.5 H83 Cl N P3 Ru
• Title of publication: Catalytic Synthesis of an Unsymmetrical PNP-Pincer-Type Phosphaalkene Ligand
• Authors of publication: Taguchi, Hiro-omi; Chang, Yung-Hung; Takeuchi, Katsuhiko; Ozawa, Fumiyuki
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1589
• a: 10.4778 ± 0.0011 Å
• b: 16.0104 ± 0.0018 Å
• c: 18.23 ± 0.002 Å
• α: 82.466 ± 0.004°
• β: 75.797 ± 0.004°
• γ: 72.53 ± 0.004°
• Cell volume: 2822.5 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No