Information card for entry 7032722

Structure parameters

• Formula: C21 H16 O11 Ru4 S
• Calculated formula: C21 H15 O11 Ru4 S
• SMILES: [Ru]12([Ru]3([Ru]1(S23[Ru]1234(C#[O])(C#[O])[c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Mixed-metal chalcogenide tetrahedral clusters with an exo-polyhedral metal fragment.
• Authors of publication: Yuvaraj, K.; Roy, Dipak Kumar; Anju, V. P.; Mondal, Bijnaneswar; Varghese, Babu; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 17184 - 17190
• a: 8.782 ± 0.0002 Å
• b: 28.1031 ± 0.0005 Å
• c: 11.6956 ± 0.0002 Å
• α: 90°
• β: 101.67 ± 0.002°
• γ: 90°
• Cell volume: 2826.82 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No