Information card for entry 7049587

Structure parameters

• Formula: C46 H35 B2 N4 O3 P Ru S8
• Calculated formula: C46 H35 B2 N4 O3 P Ru S8
• Title of publication: Mercapto-benzothiazolyl based ruthenium(ii) borate complexes: synthesis and reactivity towards various phosphines.
• Authors of publication: Zafar, Mohammad; Ramalakshmi, Rongala; Rongala, Ramalakshmi; Pradhan, Alaka Nanda; Pathak, Kriti; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 7413 - 7424
• a: 12.4288 ± 0.0013 Å
• b: 19.548 ± 0.002 Å
• c: 20.62 ± 0.002 Å
• α: 90°
• β: 107.085 ± 0.003°
• γ: 90°
• Cell volume: 4788.7 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.1339
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No