Information card for entry 4310678

Structure parameters

• Formula: C20 H28 Cl F6 N4 P Ru
• Calculated formula: C20 H28 Cl F6 N4 P Ru
• SMILES: [Ru]123456(Cl)([c]7([cH]1[cH]2[c]3([cH]4[cH]57)C)C(C)C)=C1N(C=CN1C)CCN1C=6N(C=C1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and Reactivity of New Chelate-N-Heterocyclic Biscarbene Complexes of Ruthenium
• Authors of publication: Macarena Poyatos; Elena Mas-Marzá; Mercedes Sanaú; Eduardo Peris
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1793 - 1798
• a: 11.897 ± 0.002 Å
• b: 10.797 ± 0.002 Å
• c: 19.355 ± 0.004 Å
• α: 90°
• β: 100.017 ± 0.005°
• γ: 90°
• Cell volume: 2448.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1589
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No