Information card for entry 1567161

Structure parameters

• Chemical name: RuBMP B2S
• Formula: C29 H29 B2 Cl2 N2 P Ru S3
• Calculated formula: C29 H29 B2 Cl2 N2 P Ru S3
• 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: 9.9824 ± 0.0003 Å
• b: 23.4742 ± 0.0009 Å
• c: 13.6413 ± 0.0006 Å
• α: 90°
• β: 94.6068 ± 0.0017°
• γ: 90°
• Cell volume: 3186.2 ± 0.2 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: 0.0508
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No