Information card for entry 4335103

Structure parameters

• Formula: C27 H22 Co N8 O7
• Calculated formula: C27 H22 Co N8 O7
• SMILES: [Co]123([n]4c(cccc4)Nc4[n]1cccc4)([n]1c(cccc1)Nc1[n]2cccc1)Oc1c(cc(N(=O)=O)cc1)C=[O]3.N(=O)(=O)[O-]
• Title of publication: New Type of Single Chain Magnet: Pseudo-One-Dimensional Chain of High-Spin Co(II) Exhibiting Ferromagnetic Intrachain Interactions
• Authors of publication: V. Tangoulis; M. Lalia-Kantouri; M. Gdaniec; Ch. Papadopoulos; V. Miletic; A. Czapik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6559 - 6569
• a: 10.299 ± 0.0006 Å
• b: 11.3482 ± 0.0007 Å
• c: 12.5241 ± 0.0007 Å
• α: 106.519 ± 0.005°
• β: 107.472 ± 0.005°
• γ: 91.459 ± 0.005°
• Cell volume: 1328.73 ± 0.15 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No