Information card for entry 2312364

Structure parameters

• Chemical name: Bis(μ-3,5-dimethyl-1<i>H</i>-pyrazole)-κ^2^<i>N</i>^1^:<i>N</i>^2^;κ^2^<i>N</i>^2^:<i>N</i>^1^-bis[bromido/chlorido(0.7/0.3)bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^1^)cobalt/zinc(0.1/0.9)]
• Formula: C20 H30 Br1.4 Cl0.6 Co0.2 N8 Zn1.8
• Calculated formula: C20 H30 Br1.4 Cl0.6 Co0.2 N8 Zn1.8
• Title of publication: An efficient one-pot synthesis of pyrazole complexes formed in situ: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties.
• Authors of publication: Adach, Anna; Tyszka-Czochara, Małgorzata; Daszkiewicz, Marek
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 12
• Pages of publication: 520 - 529
• a: 8.2698 ± 0.0002 Å
• b: 8.406 ± 0.0002 Å
• c: 10.3062 ± 0.0002 Å
• α: 84.826 ± 0.002°
• β: 69.156 ± 0.002°
• γ: 87.133 ± 0.002°
• Cell volume: 666.7 ± 0.03 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes