Information card for entry 4082071

Structure parameters

• Formula: C20 H14 I2 O6 Ru2 S2
• Calculated formula: C20 H14 I2 O6 Ru2 S2
• SMILES: C(#[O])[Ru]1(C#[O])(I)([S](Cc2ccccc2)[Ru](C#[O])(C#[O])(I)(C#[O])[S]1Cc1ccccc1)C#[O]
• Title of publication: One-Pot Synthesis of Ruthenium Metallacycles via Oxidative Addition of Diaryldichalcogen and Halogen across a Ru‒Ru Bond
• Authors of publication: Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Mahesh, K.; Mobin, Shaikh M.; Manimaran, Bala.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7292
• a: 16.3728 ± 0.0019 Å
• b: 18.367 ± 0.003 Å
• c: 9.326 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2805 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No