Information card for entry 2020582

Structure parameters

• Chemical name: Bis{μ~3~-(<i>E</i>)-2-[(2-oxidobenzylidene)amino]phenolato}bis{μ~2~-(<i>E</i>)-2-[(2-oxidobenzylidene)amino]phenolato}bis(1,10-phenanthroline)tetracobalt(II)
• Formula: C80 H60 Co4 N8 O8
• Calculated formula: C80 H60 Co4 N8 O8
• SMILES: c12ccccc2C=[N]2[Co]34([n]5cccc6ccc7ccc[n]3c7c56)(O1)[O]1c3c(cccc3)C=[N]3[Co]51([O]4c1c(cccc1)C2)[O](c1c(cccc1)C3)[Co]123[N](=Cc4c([O]2[Co]267([N](=Cc8c(cccc8)O6)Cc6c([O]17)cccc6)[n]1cccc6ccc7ccc[n]2c7c16)cccc4)Cc1c([O]53)cccc1
• Title of publication: Crystal structure and magnetic properties of a linear tetranuclear Co^II^ cluster
• Authors of publication: Wang, Yingying; Wen, Meixia; Gao, Zhongjun; Sheng, Ning
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 9
• a: 11.6762 ± 0.0012 Å
• b: 18.3463 ± 0.0019 Å
• c: 16.07 ± 0.0016 Å
• α: 90°
• β: 100.105 ± 0.002°
• γ: 90°
• Cell volume: 3389 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0824
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes