Information card for entry 1565553

Structure parameters

• Chemical name: [trans-Cr(pzH)4Cl2]Cl
• Formula: C12 H16 Cl3 Cr N8
• Calculated formula: C12 H16 Cl3 Cr N8
• Title of publication: Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies
• Authors of publication: López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119299
• a: 8.0428 ± 0.0003 Å
• b: 8.437 ± 0.0004 Å
• c: 14.9426 ± 0.0006 Å
• α: 76.697 ± 0.001°
• β: 89.927 ± 0.001°
• γ: 68.369 ± 0.001°
• Cell volume: 913.34 ± 0.07 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302.21 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No