Information card for entry 4073066

Structure parameters

• Formula: C36 H40 Cl F6 P3 Ru
• Calculated formula: C36 H40 Cl F6 P3 Ru
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([P](C)(C)c6ccccc6)(Cl)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Catalytic Activity of Bis-phosphine Ruthenium(II)−Arene Compounds: Structure−Activity Correlations
• Authors of publication: Chaplin, Adrian B.; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 2447
• a: 16.448 ± 0.003 Å
• b: 10.956 ± 0.002 Å
• c: 19.134 ± 0.004 Å
• α: 90°
• β: 93.26 ± 0.03°
• γ: 90°
• Cell volume: 3442.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0901
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.254
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No