Information card for entry 7000711

Structure parameters

• Formula: C36 H45 Ir3 S6
• Calculated formula: C36 H45 Ir3 S6
• SMILES: c12c(c3c(c4c1S[Ir]1567([c]8([c]1([c]5([c]6([c]78C)C)C)C)C)S4)S[Ir]1456([c]7([c]1([c]4([c]5([c]67C)C)C)C)C)S3)S[Ir]1345([c]6([c]5([c]4([c]3([c]16C)C)C)C)C)S2
• Title of publication: Development of a versatile synthesis method for trinuclear Co(iii), Rh(iii), and Ir(iii) dithiolene complexes, and their crystal structures and multi-step redox properties
• Authors of publication: Shibata, Yusuke; Zhu, Baohua; Kume, Shoko; Nishihara, Hiroshi
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 1939 - 1943
• a: 12.543 ± 0.01 Å
• b: 14.718 ± 0.011 Å
• c: 12.958 ± 0.01 Å
• α: 90°
• β: 104.333 ± 0.003°
• γ: 90°
• Cell volume: 2318 ± 3 ų
• Cell temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No