Information card for entry 2238548

Structure parameters

• Chemical name: Bis(4-aminopyridine){2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato}cobalt(III) nitrate
• Formula: C30 H26 Co N7 O5
• Calculated formula: C30 H26 Co N7 O5
• SMILES: [Co]123(Oc4c(C=[N]2c2ccccc2[N]3=Cc2ccccc2O1)cccc4)([n]1ccc(N)cc1)[n]1ccc(N)cc1.O=N(=O)[O-]
• Title of publication: Bis(4-aminopyridine){2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato}cobalt(III) nitrate
• Authors of publication: Dharmalingam, Sivanesan; Yoon, Sungho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: m495 - m496
• a: 13.072 ± 0.003 Å
• b: 15.136 ± 0.003 Å
• c: 17.192 ± 0.006 Å
• α: 90°
• β: 125.14 ± 0.02°
• γ: 90°
• Cell volume: 2781.6 ± 1.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1646
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.707
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes