Information card for entry 7040073

Structure parameters

• Formula: C28 H42 Co3 N4 O12
• Calculated formula: C28 H42 Co3 N4 O12
• SMILES: c1cccc2C[N]34CC[O]5[Co]64([n]12)([OH]CC3)[O]=C(O[Co]125([O]3CC[N]45Cc7cccc[n]7[Co]35([OH]CC4)([O]=C(O1)C)[O]2C(=O)C)[O]6C(=O)C)C
• Title of publication: Trinuclear nickel and cobalt complexes containing unsymmetrical tripodal tetradentate ligands: syntheses, structural, magnetic, and catalytic properties.
• Authors of publication: Shin, Jong Won; Jeong, Ah Rim; Lee, Sun Young; Kim, Cheal; Hayami, Shinya; Min, Kil Sik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 36
• Pages of publication: 14089 - 14100
• a: 11.6737 ± 0.0012 Å
• b: 10.8739 ± 0.0012 Å
• c: 13.8627 ± 0.0015 Å
• α: 90°
• β: 112.781 ± 0.002°
• γ: 90°
• Cell volume: 1622.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0965
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No