Information card for entry 2010857

Structure parameters

• Chemical name: tris(8-quinolinolato-N,O)Cobalt(III) Ethanol Solvate
• Formula: C29 H24 Co N3 O4
• Calculated formula: C29 H24 Co N3 O4
• SMILES: [Co]123(Oc4cccc5ccc[n]1c45)(Oc1cccc4ccc[n]2c14)Oc1cccc2ccc[n]3c12.OCC
• Title of publication: Tris(8-quinolinolato-<i>N</i>,<i>O</i>)cobalt(III) ethanol solvate
• Authors of publication: Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Zhao, PuSu; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: e130 - e131
• a: 11.2649 ± 0.0001 Å
• b: 13.1101 ± 0.0002 Å
• c: 16.6181 ± 0.0003 Å
• α: 90°
• β: 94.2249 ± 0.0003°
• γ: 90°
• Cell volume: 2447.56 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.102
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes