Information card for entry 7056704

Structure parameters

• Formula: C41 H32 Co N O S
• Calculated formula: C41 H32 Co N O S
• SMILES: [Co]1234567([C]8(c9ccccc9)=[C]1(c1ccccc1)[C]3(c1ccccc1)=[C]28c1ccccc1)[c]1([cH]4[cH]6[cH]7[cH]51)C(=O)Nc1c(SC)cccc1
• 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: 11.255 ± 0.006 Å
• b: 22.409 ± 0.01 Å
• c: 12.599 ± 0.006 Å
• α: 90°
• β: 90.186 ± 0.016°
• γ: 90°
• Cell volume: 3178 ± 3 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 ± 2 K
• Number of distinct elements: 6
• 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: 0.0869
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No