Information card for entry 7056699

Structure parameters

• Formula: C39 H29 Co N2 O2
• Calculated formula: C39 H29 Co N2 O2
• SMILES: [Co]1234567([C]8(=[C]1(c1ccccc1)[C]3(=[C]28c1ccccc1)c1ccccc1)c1ccccc1)[c]1(C(=O)Nc2n(=O)cccc2)[cH]4[cH]7[cH]6[cH]51
• 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: 12.92 ± 0.04 Å
• b: 14.34 ± 0.04 Å
• c: 17.16 ± 0.06 Å
• α: 90°
• β: 93.61 ± 0.03°
• γ: 90°
• Cell volume: 3173 ± 17 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No