Information card for entry 1572597

Structure parameters

• Formula: C28 H25 B N2 O Os P S2
• Calculated formula: C28 H26 B N2 O Os P S2
• SMILES: [Os]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)(Sc4cccc[n]4[B](O)([H]3)[H]1)Sc1cccc[n]21
• 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: 9.7769 ± 0.0003 Å
• b: 11.7895 ± 0.0004 Å
• c: 13.7966 ± 0.0006 Å
• α: 69.327 ± 0.002°
• β: 85.219 ± 0.002°
• γ: 68.07 ± 0.001°
• Cell volume: 1378.05 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No