Information card for entry 1564508

Structure parameters

• Formula: C13 H16 Cl2 Cu N4 O3
• Calculated formula: C13 H16 Cl2 Cu N4 O3
• SMILES: [Cu]12(Cl)(Cl)OC(=N[N]1=C(c1[n]2cccc1)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: 8.6985 ± 0.0011 Å
• b: 8.7793 ± 0.0011 Å
• c: 12.6496 ± 0.0016 Å
• α: 94.723 ± 0.003°
• β: 96.994 ± 0.003°
• γ: 118.855 ± 0.002°
• Cell volume: 828.64 ± 0.18 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: 0.0546
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No