Information card for entry 4331904

Structure parameters

• Formula: C21 H19 Co2 O5 Rh S2
• Calculated formula: C21 H19 Co2 O5 Rh S2
• SMILES: [Rh]1234567([Co]89([Co]1([S]2c1c([S]38)cccc1)(C9=O)(C#[O])C#[O])(C#[O])C#[O])[c]1([c]7([c]4([c]6([c]51C)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: 16.95 ± 0.003 Å
• b: 14.65 ± 0.0007 Å
• c: 19.63 ± 0.0005 Å
• α: 90°
• β: 102.58 ± 0.0005°
• γ: 90°
• Cell volume: 4757.5 ± 0.9 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: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No