Information card for entry 1572598

Structure parameters

• Formula: C39 H29 B N3 Os P S6
• Calculated formula: C39 H29 B N3 Os P S6
• 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: 10.9773 ± 0.0004 Å
• b: 23.2835 ± 0.0008 Å
• c: 14.8343 ± 0.0005 Å
• α: 90°
• β: 103.877 ± 0.0015°
• γ: 90°
• Cell volume: 3680.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0654
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0868
• 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