Information card for entry 1572595

Structure parameters

• Formula: C50 H40 B N2 Os P2 S4
• Calculated formula: C50 H40 B N2 Os P2 S4
• Title of publication: Quantifying variation in cooperative B–H bond activations using Os(ii) and Os(iii) κ2-N,S-chelated complexes: same, but different
• Authors of publication: Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 9.6569 ± 0.0008 Å
• b: 11.9102 ± 0.0008 Å
• c: 20.8069 ± 0.0016 Å
• α: 86.218 ± 0.004°
• β: 84.416 ± 0.004°
• γ: 69.354 ± 0.004°
• Cell volume: 2227.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0649
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No