Information card for entry 2013972

Structure parameters

• Chemical name: Tris[N-(4-fluorophenyl)pyridine-2-carboxamide-κ^2^N,N']cobalt(III)
• Formula: C36 H30 Co F3 N6 O6
• Calculated formula: C36 H30 Co F3 N6 O6
• SMILES: [Co]123([n]4ccccc4C(=O)N1c1ccc(F)cc1)([n]1ccccc1C(=O)N2c1ccc(F)cc1)[n]1ccccc1C(=O)N3c1ccc(F)cc1.O.O.O
• Title of publication: Tris[<i>N</i>-(4-fluorophenyl)pyridine-2-carboxamidato-κ^2^<i>N</i>,<i>N</i>']cobalt(III) trihydrate: a novel meridional complex
• Authors of publication: Qi, Jian Ying; Yang, Qi Yun; Chan, Shu Sun; Zhou, Zhong Yuan; Chan, Albert S. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m210 - m211
• a: 12.1443 ± 0.0012 Å
• b: 12.2258 ± 0.0012 Å
• c: 14.5543 ± 0.0014 Å
• α: 99.774 ± 0.002°
• β: 103.547 ± 0.002°
• γ: 117.775 ± 0.002°
• Cell volume: 1758.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No