Information card for entry 2202214

Structure parameters

• Formula: C29 H24 Cr N3 O4
• Calculated formula: C29 H24 Cr N3 O4
• SMILES: [Cr]123(Oc4cccc5ccc[n]1c45)(Oc1cccc4ccc[n]2c14)Oc1cccc2ccc[n]3c12.OCC
• Title of publication: Tris(8-quinolinolato-κ^2^<i>N,O</i>)chromium(III) ethanol solvate
• Authors of publication: Dai-Xi Li; Duan-Jun Xu; Yuan-Zhi Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m271 - m272
• a: 11.2683 ± 0.0011 Å
• b: 13.2572 ± 0.0011 Å
• c: 16.8041 ± 0.0018 Å
• α: 90°
• β: 94.783 ± 0.006°
• γ: 90°
• Cell volume: 2501.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes