Information card for entry 1564509

Structure parameters

• Formula: C13 H16 Br2 Cu N4 O3
• Calculated formula: C13 H16 Br2 Cu N4 O3
• SMILES: Br[Cu]12(Br)OC(=N[N]2=C(c2[n]1cccc2)C)c1c[nH+]ccc1.O.O
• Title of publication: Copper(II) and zinc(II) complexes with Hydrazone: Synthesis, crystal structure, Hirshfeld surface and antibacterial activity
• Authors of publication: Santiago, Pedro H.O.; Santiago, Mariana B.; Martins, Carlos H.G.; Gatto, Claudia C.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 508
• Pages of publication: 119632
• a: 8.8985 ± 0.0011 Å
• b: 8.9337 ± 0.0011 Å
• c: 12.8937 ± 0.0016 Å
• α: 95.985 ± 0.002°
• β: 97.046 ± 0.002°
• γ: 119.341 ± 0.002°
• Cell volume: 870.61 ± 0.19 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No