Information card for entry 7712992

Structure parameters

• Formula: C27 H21 Br2 Co N5 O
• Calculated formula: C27 H21 Br2 Co N5 O
• SMILES: Br[Co]1(Br)[n]2c(cccc2)c2nc3c(nc2c2[n]1cccc2)c1cccc2cccc3c12.O=CN(C)C
• Title of publication: Cobalt(II) coordination to N4-acenaphthene-based ligand and its sodium complex
• Authors of publication: Khrizanforova, Vera; Fayzullin, Robert R.; Bogomyakov, Artem; Morozov, Vladimir; Batulin, Ruslan Germanovich; Gerasimova, Tatiana; Islamov, Daut; Budnikova, Yulia H.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 23.6562 ± 0.0014 Å
• b: 6.789 ± 0.0004 Å
• c: 15.9607 ± 0.0009 Å
• α: 90°
• β: 102.52 ± 0.0018°
• γ: 90°
• Cell volume: 2502.4 ± 0.3 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0828
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No