Information card for entry 1572598

Structure parameters

• Formula: C39 H29 B N3 Os P S6
• Calculated formula: C39 H29 B N3 Os P S6
• SMILES: [BH]12N3c4c(cccc4)SC3=[S][Os]3([n]4c5c(cccc5)sc4S3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([S]=C3N1c1ccccc1S3)[H]2
• 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: 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