Information card for entry 7712987

Structure parameters

• Formula: C24 H14 Cl2 N4 Zn
• Calculated formula: C24 H14 Cl2 N4 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(cccc2)c2nc3c(nc2c2[n]1cccc2)c1cccc2cccc3c12
• 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: 6.8847 ± 0.0005 Å
• b: 15.7843 ± 0.0008 Å
• c: 38.549 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4189.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1385
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No