Information card for entry 1572594

Structure parameters

• Formula: C47 H40 Cl2 N2 Os P2 S2
• Calculated formula: C47 H40 Cl2 N2 Os P2 S2
• Title of publication: Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ²-<i>N</i>,<i>S</i>-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
• Journal volume: 15
• Journal issue: 38
• Pages of publication: 15913 - 15924
• a: 11.6034 ± 0.0003 Å
• b: 12.2578 ± 0.0003 Å
• c: 17.0531 ± 0.0004 Å
• α: 74.1121 ± 0.001°
• β: 85.164 ± 0.0011°
• γ: 64.8014 ± 0.001°
• Cell volume: 2109.39 ± 0.09 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: 0.0369
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No