Information card for entry 8000167

Structure parameters

• Formula: C13 H24 Ir O2 P S2 W
• Calculated formula: C13 H24 Ir O2 P S2 W
• SMILES: [Ir]123456([W]([S]1)([S]2)(=O)=O)([P](C)(C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
• Title of publication: Synthesis and Reactivities of Sulfido-bridged Ir‒W and Ir‒Re Heterodinuclear Complexes with Imido Ligands
• Authors of publication: Arashiba, Kazuya; Tanabe, Yoshiaki; Ishii, Youichi
• Journal of publication: Chemistry Letters
• Year of publication: 2007
• Journal volume: 36
• Journal issue: 5
• Pages of publication: 622
• a: 8.4702 ± 0.0012 Å
• b: 12.985 ± 0.002 Å
• c: 16.275 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1790 ± 0.5 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.0254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No