Information card for entry 4060815

Structure parameters

• Formula: C20 H34 Ir2 S4
• Calculated formula: C20 H30 Ir2 S4
• SMILES: [Ir]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)(S[Ir]1234([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)(S5)=S)=S
• Title of publication: Synthesis of a New Tetrakis(hydrosulfido) Diiridium Complex and Its Conversion into Homo- and Heterometallic Sulfido-Hydrosulfido Clusters
• Authors of publication: Takagi, Fusao; Seino, Hidetake; Mizobe, Yasushi; Hidai, Masanobu
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 4
• Pages of publication: 694 - 699
• a: 8.588 ± 0.001 Å
• b: 9.3975 ± 0.0009 Å
• c: 15.728 ± 0.001 Å
• α: 90°
• β: 104.125 ± 0.008°
• γ: 90°
• Cell volume: 1231 ± 0.2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• 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: 0.0684
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No