Information card for entry 2202834

Structure parameters

• Formula: C26 H28 Co N6 O8
• Calculated formula: C26 H28 Co N6 O8
• SMILES: c1[n]([Co]([OH2])([n]2cc(N)ccc2)(OC(=O)c2ccc(cc2)C#N)(OC(=O)c2ccc(cc2)C#N)[OH2])cccc1N.O.O
• Title of publication: <i>trans</i>-Bis(3-aminopyridine)diaquabis(4-cyanobenzoato)cobalt(II) dihydrate
• Authors of publication: He, Hong-Yin; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m1192 - m1193
• a: 7.2359 ± 0.0011 Å
• b: 7.7367 ± 0.0011 Å
• c: 13.2036 ± 0.0019 Å
• α: 82.309 ± 0.003°
• β: 76.268 ± 0.003°
• γ: 72.365 ± 0.002°
• Cell volume: 682.76 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes