Information card for entry 1572599

Structure parameters

• Formula: C40 H31 B Cl2 N3 Os P S6
• Calculated formula: C40 H31 B Cl2 N3 Os P S6
• SMILES: [Os]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([S]=C4Sc5ccccc5N4[BH](N4C(=[S]1)Sc1c4cccc1)[H]3)Sc1sc3c(cccc3)[n]21.C(Cl)Cl
• 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: 36.1185 ± 0.0015 Å
• b: 10.179 ± 0.0004 Å
• c: 28.0264 ± 0.0012 Å
• α: 90°
• β: 127.78 ± 0.001°
• γ: 90°
• Cell volume: 8143.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No