Information card for entry 4306310

Structure parameters

• Formula: C18 H22 Cl F3 N4 O3 Ru S
• Calculated formula: C18 H22 Cl F3 N4 O3 Ru S
• SMILES: [Ru]123456(Cl)([c]7([cH]1[cH]2[c]5([cH]3[cH]47)C(C)C)C)[n]1cccn1Cn1ccc[n]61.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Synthesis and Intramolecular and Interionic Structural Characterization of Half-Sandwich (Arene)Ruthenium(II) Derivatives of Bis(Pyrazolyl)Alkanes
• Authors of publication: Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Adele Cerquetella; Corrado Di Nicola; Alceo Macchioni; Daniele Zuccaccia; Magda Monari; Fabio Piccinelli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11593 - 11603
• a: 7.4027 ± 0.0004 Å
• b: 14.5879 ± 0.0008 Å
• c: 20.7934 ± 0.0012 Å
• α: 90°
• β: 95.338 ± 0.001°
• γ: 90°
• Cell volume: 2235.7 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 8
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No