Information card for entry 7705901

Structure parameters

• Formula: C48 H32 Cl2 Co N4 O8
• Calculated formula: C48 H32 Cl2 Co N4 O8
• SMILES: [Co]12([n]3c(ccc4ccc5ccc([n]1c5c34)c1ccccc1)c1ccccc1)[n]1c(ccc3ccc4ccc([n]2c4c13)c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Slow magnetization relaxation in a tetrahedrally coordinated mononuclear Co(II) complex exclusively ligated with phenanthroline ligands.
• Authors of publication: Wu, Chen-Ming; Tsai, Jae-En; Lee, Gene-Hsiang; Yang, En-Che
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16813 - 16820
• a: 7.8409 ± 0.0004 Å
• b: 12.863 ± 0.0006 Å
• c: 20.4373 ± 0.001 Å
• α: 88.1321 ± 0.0011°
• β: 89.0043 ± 0.0011°
• γ: 79.0659 ± 0.001°
• Cell volume: 2022.63 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No