Information card for entry 8000169

Structure parameters

• Formula: C52 H65 Cl Ir N2 P S W
• Calculated formula: C52 H64 Cl Ir N2 P S W
• SMILES: [Ir]12345([W](Cl)([S]1)(=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)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: 21.684 ± 0.003 Å
• b: 12.9161 ± 0.0019 Å
• c: 17.115 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4793.4 ± 1.3 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections included in the refinement: 0.0359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No