Information card for entry 7115752

Structure parameters

• Common name: Co(PPh3)2I2
• Formula: C36 H30 Co I2 P2
• Calculated formula: C36 H30 Co I2 P2
• SMILES: I[Co](I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Ligands effects on the magnetic anisotropy of tetrahedral cobalt complexes
• Authors of publication: Mohamed R. Saber; Kim R. Dunbar
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12266
• a: 19.165 ± 0.004 Å
• b: 10.198 ± 0.002 Å
• c: 17.929 ± 0.004 Å
• α: 90°
• β: 112.23 ± 0.03°
• γ: 90°
• Cell volume: 3243.7 ± 1.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0291
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No