Information card for entry 1572596

Structure parameters

• Formula: C33 H29 B N3 Os P S3
• Calculated formula: C33 H29 B N3 Os P S3
• SMILES: [Os]123([n]4ccccc4S2)(Sc2cccc[n]2[BH]([n]2ccccc2S1)[H]3)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.516 ± 0.003 Å
• b: 19.737 ± 0.007 Å
• c: 19.416 ± 0.006 Å
• α: 90°
• β: 93.665 ± 0.009°
• γ: 90°
• Cell volume: 3639 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0545
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No