Information card for entry 4331905

Structure parameters

• Formula: C21 H19 Co2 Ir O5 S2
• Calculated formula: C21 H19 Co2 Ir O5 S2
• SMILES: C1(=O)[Co]23(C#[O])(C#[O])[S]4c5ccccc5[S]5[Co]12(C#[O])(C#[O])[Ir]1267345[c]3([c]1([c]2([c]6([c]73C)C)C)C)C
• Title of publication: Thermochromic Triangular [MCo2] (M = Rh, Ir, Ru) Clusters Containing a Planar Metalladithiolene Ring in η3Coordination
• Authors of publication: Nakagawa, Norikiyo; Yamada, Teppei; Murata, Masaki; Sugimoto, Manabu; Nishihara, Hiroshi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 14 - 16
• a: 16.835 ± 0.005 Å
• b: 14.421 ± 0.004 Å
• c: 19.589 ± 0.005 Å
• α: 90°
• β: 102.641 ± 0.004°
• γ: 90°
• Cell volume: 4640 ± 2 ų
• Cell temperature: 120 ± 5 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No