Information card for entry 4331906

Structure parameters

• Formula: C23 H22 Co2 O5 Ru S2
• Calculated formula: C23 H22 Co2 O5 Ru S2
• SMILES: [Ru]12345678([Co]9%10([Co]1([S]3c1c([S]29)cccc1)(C%10=O)(C#[O])C#[O])(C#[O])C#[O])[c]1([c]4([c]5([c]6([c]7([c]81C)C)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: 10.096 ± 0.004 Å
• b: 16.31 ± 0.006 Å
• c: 15.174 ± 0.006 Å
• α: 90°
• β: 103.259 ± 0.001°
• γ: 90°
• Cell volume: 2432 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0239
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No