Information card for entry 4304895

Structure parameters

• Formula: C8 H12 Cl4 Ir K N4
• Calculated formula: C8 H12 Cl4 Ir K N4
• SMILES: [Ir](Cl)(Cl)(Cl)(Cl)([N]#CC)[N]#CC.N#CC.N#CC.[K+]
• Title of publication: A Unique Family of Stable and Water-Soluble S-Nitrosothiol Complexes
• Authors of publication: Laura L. Perissinotti; Gregory Leitus; Linda Shimon; Dario Estrin; Fabio Doctorovich
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4723 - 4733
• a: 7.531 ± 0.0002 Å
• b: 19.382 ± 0.0006 Å
• c: 23.747 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3466.25 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No