Information card for entry 8000168

Structure parameters

• Formula: C25 H41 Ir N P S3 W
• Calculated formula: C25 H41 Ir N P S3 W
• SMILES: [Ir]123456([W]([S]1)([S]2)(=S)=Nc1c(cccc1C(C)C)C(C)C)([P](C)(C)C)[c]1([c]3([c]4([c]5([c]61C)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: 9.5917 ± 0.0016 Å
• b: 14.842 ± 0.002 Å
• c: 21.05 ± 0.004 Å
• α: 90°
• β: 102.054 ± 0.0019°
• γ: 90°
• Cell volume: 2930.6 ± 0.8 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No