Information card for entry 7715036

Structure parameters

• Formula: C26 H30 Cr O6 Ru2 S
• Calculated formula: C26 H30 Cr O6 Ru2 S
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]16782345C(=O)[Ru]23459%107([c]7([c]2([c]3([c]4([c]57C)C)C)C)C)C(=O)[Cr]69(C1=O)(C#[O])(C#[O])(C#[O])[S]8%10)C)C)C)C
• Title of publication: Hetero-trimetallic complexes comprising bridging boryl and borylene ligands: an experimental and theoretical study.
• Authors of publication: Bairagi, Subhash; Giri, Soumen; Patel, Deepak Kumar; Luong, Diana; Fokwa, Boniface P. T.; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3191 - 3205
• a: 14.8075 ± 0.0005 Å
• b: 10.2697 ± 0.0003 Å
• c: 18.5633 ± 0.0006 Å
• α: 90°
• β: 98.7049 ± 0.0015°
• γ: 90°
• Cell volume: 2790.38 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No