Information card for entry 1567163

Structure parameters

• Formula: C33 H36 B2 Cl2 N2 Ru S4
• Calculated formula: C33 H36 B2 Cl2 N2 Ru S4
• Title of publication: Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes
• Authors of publication: Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 29
• Pages of publication: 8567 - 8575
• a: 8.1421 ± 0.0016 Å
• b: 9.038 ± 0.0016 Å
• c: 11.991 ± 0.002 Å
• α: 91.746 ± 0.005°
• β: 95.358 ± 0.006°
• γ: 91.618 ± 0.005°
• Cell volume: 877.7 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No