Information card for entry 4337941

Structure parameters

• Formula: C23 H26 Cl F6 N8 O P Ru
• Calculated formula: C23 H26 Cl F6 N8 O P Ru
• SMILES: [Ru]12(Cl)([n]3n(ccc3)C(n3[n]1ccc3)n1[n]2ccc1)([n]1ccccc1)[n]1ccccc1.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• Title of publication: Synthesis, Structures, and Optical Properties of Ruthenium(II) Complexes of the Tris(1-pyrazolyl)methane Ligand.
• Authors of publication: Coe, Benjamin J.; Helliwell, Madeleine; Peers, Martyn K.; Raftery, James; Rusanova, Daniela; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3798
• a: 11.491 ± 0.002 Å
• b: 8.5395 ± 0.0017 Å
• c: 28.167 ± 0.006 Å
• α: 90°
• β: 97.888 ± 0.004°
• γ: 90°
• Cell volume: 2737.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No