Information card for entry 2010052

Structure parameters

• Formula: C20 H12 Co N6 Na O2
• Calculated formula: C20 H12 Co N6 Na O2
• SMILES: [Co]123([n]4ccccc4C(N3c3c(N2C(c2[n]1cccc2)=O)cccc3)=O)(C#N)C#N.[Na+]
• Title of publication: Sodium <i>trans</i>-dicyano[<i>N</i>,<i>N</i>'-1,2-phenylenebis(2-pyridinecarboxamido)]cobaltate(III)
• Authors of publication: Wong, W.-T.; Che, C.-M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 1407 - 1409
• a: 8.987 ± 0.001 Å
• b: 14.09 ± 0.003 Å
• c: 15.543 ± 0.002 Å
• α: 90°
• β: 101.67 ± 0.01°
• γ: 90°
• Cell volume: 1927.5 ± 0.5 ų
• Cell temperature: 292 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for significantly intense reflections: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No