Information card for entry 1567164

Structure parameters

• Formula: C40 H47 Cl2 N3 P Ru S6
• Calculated formula: C40 H47 Cl2 N3 P Ru S6
• 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: 43.162 ± 0.006 Å
• b: 11.6075 ± 0.0014 Å
• c: 17.077 ± 0.002 Å
• α: 90°
• β: 94.107 ± 0.005°
• γ: 90°
• Cell volume: 8533.7 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1535
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No