Information card for entry 4073002

Structure parameters

• Formula: C39 H48 F6 N P3 Ru
• Calculated formula: C39 H48 F6 N P3 Ru
• SMILES: [Ru]1234([PH](C5CCCCC5)C5CCCCC5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([NH3])[cH]5[cH]1[cH]2[c]13cccc[c]451.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A Highly Reactive Ruthenium Phosphido Complex Exhibiting Ru−P π-Bonding
• Authors of publication: Derrah, Eric J.; Pantazis, Dimitrios A.; McDonald, Robert; Rosenberg, Lisa
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1473
• a: 9.1385 ± 0.0004 Å
• b: 10.8856 ± 0.0005 Å
• c: 20.1951 ± 0.0008 Å
• α: 100.904 ± 0.0007°
• β: 92.2008 ± 0.0007°
• γ: 107.765 ± 0.0006°
• Cell volume: 1868.68 ± 0.14 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0323
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No