Information card for entry 2240334

Structure parameters

• Chemical name: <i>fac</i>-trichlorido[tris(pyridin-2-yl-<i>N</i>)amine]chromium(III)
• Formula: C15 H12 Cl3 Cr N4
• Calculated formula: C15 H12 Cl3 Cr N4
• SMILES: c1cccc2[n]1[Cr]1(Cl)([n]3ccccc3N2c2cccc[n]12)(Cl)Cl
• Title of publication: Crystal structure of <i>fac</i>-trichlorido[tris(pyridin-2-yl-<i>N</i>)amine]chromium(III)
• Authors of publication: Yamaguchi-Terasaki, Yukiko; Fujihara, Takashi; Nagasawa, Akira; Kaizaki, Sumio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: 73 - 75
• a: 15.152 ± 0.013 Å
• b: 13.704 ± 0.012 Å
• c: 8.014 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1664 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes