Information card for entry 7703513

Structure parameters

• Formula: C21 H16 Cl2 F6 N5 O P Ru S
• Calculated formula: C21 H16 Cl2 F6 N5 O P Ru S
• SMILES: c1cccc2c3cc(cc4c5cccc[n]5[Ru]([n]12)([n]34)(N=O)(Cl)Cl)c1cccs1.C(#N)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Chemical and photochemical behavior of ruthenium nitrosyl complexes with terpyridine ligands in aqueous media.
• Authors of publication: Labra-Vázquez, Pablo; Bocé, Mathilde; Tassé, Marine; Mallet-Ladeira, Sonia; Lacroix, Pascal G.; Farfán, Norberto; Malfant, Isabelle
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3138 - 3154
• a: 16.243 ± 0.005 Å
• b: 7.354 ± 0.002 Å
• c: 21.148 ± 0.008 Å
• α: 90°
• β: 93.548 ± 0.01°
• γ: 90°
• Cell volume: 2521.3 ± 1.4 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 9
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No