Information card for entry 7715038

Structure parameters

• Formula: C25 H33 B Cr O4 Ru2 S2
• Calculated formula: C25 H33 B Cr O4 Ru2 S2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]16782345[BH]2[Cr]36(C1=O)(C#[O])(C#[O])(C#[O])[Ru]1456972([c]2([c]6([c]5([c]4([c]12C)C)C)C)C)[S]8C[S]39)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: 8.5698 ± 0.0006 Å
• b: 17.7351 ± 0.0015 Å
• c: 18.3033 ± 0.0014 Å
• α: 90°
• β: 93.914 ± 0.004°
• γ: 90°
• Cell volume: 2775.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.1021
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2132
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No