Information card for entry 1567162

Structure parameters

• Formula: C32 H45 B2 N2 P Ru S5
• Calculated formula: C32 H45 B2 N2 P Ru S5
• 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: 17.2497 ± 0.0013 Å
• b: 15.0068 ± 0.001 Å
• c: 19.7663 ± 0.0014 Å
• α: 90°
• β: 115.089 ± 0.002°
• γ: 90°
• Cell volume: 4634 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No