Information card for entry 7047942

Structure parameters

• Common name: [Zn(NNN)Cl](PF6)
• Chemical name: Chloro-tri(2-pyridylmethyl)aminezinc(II) hexafluorophosphate
• Formula: C18 H18 Cl F6 N4 P Zn
• Calculated formula: C18 H18 Cl F6 N4 P Zn
• Title of publication: The influence of Zn^II coordination sphere and chemical structure over the reactivity of metallo-β-lactamase model compounds.
• Authors of publication: de Arruda, Eduardo Guimarães Ratier; Rocha, Bruno Alves; Barrionuevo, Manoel Victor Frutuoso; Aðalsteinsson, Heiðar Már; Galdino, Flávia Elisa; Loh, Watson; Lima, Frederico Alves; Abbehausen, Camilla
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 2900 - 2916
• a: 16.794 ± 0.003 Å
• b: 17.209 ± 0.003 Å
• c: 14.623 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4226.2 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No