Information card for entry 7716296

Structure parameters

• Formula: C41 H41 Cl2 N P2 Ru
• Calculated formula: C41 H41 Cl2 N P2 Ru
• Title of publication: Arene displacement, C-H activation and acetonitrile insertion reactions enabled by coordination of a functionalized iminophosphorane to a Ru^II-<i>p</i>-cymene scaffold.
• Authors of publication: Gourkhede, Rani; Kaur, Bhupinder; Kote, Basvaraj S.; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 25
• Pages of publication: 10693 - 10703
• a: 18.7777 ± 0.0002 Å
• b: 11.3055 ± 0.0001 Å
• c: 17.3485 ± 0.0002 Å
• α: 90°
• β: 100.652 ± 0.001°
• γ: 90°
• Cell volume: 3619.47 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No