Information card for entry 7056703

Structure parameters

• Formula: C44 H40 Co N O S Si
• Calculated formula: C44 H40 Co N O S Si
• SMILES: [Co]1234567([c]8(C(=O)Nc9ccccc9SC)[cH]1[cH]2[cH]3[c]48[Si](C)(C)C)[C]1(=[C]7([C]6(=[C]51c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy
• Authors of publication: Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 23
• Pages of publication: 14528 - 14538
• a: 13 ± 0.03 Å
• b: 13.25 ± 0.03 Å
• c: 23.77 ± 0.05 Å
• α: 84.63 ± 0.02°
• β: 86.64 ± 0.02°
• γ: 72.88 ± 0.03°
• Cell volume: 3894 ± 15 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0966
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No