Information card for entry 1565552

Structure parameters

• Chemical name: trans-Cr(4-I-pz)3Cl3
• Formula: C13 H17 Cl3 Cr I2.99 N6 O
• Calculated formula: C9 H9 Cl3 Cr I2.982 N6
• 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: 9.5178 ± 0.0008 Å
• b: 10.619 ± 0.0009 Å
• c: 12.6128 ± 0.0011 Å
• α: 78.787 ± 0.002°
• β: 82.592 ± 0.002°
• γ: 86.424 ± 0.002°
• Cell volume: 1239.09 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 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: 0.0555
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No