Information card for entry 4325839

Structure parameters

• Common name: CoI2(2,5-Mes2py)2
• Formula: C46 H50 Co I2 N2
• Calculated formula: C46 H50 Co I2 N2
• SMILES: I[Co](I)([n]1cc(ccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[n]1cc(ccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Coordination Properties of 2,5-Dimesitylpyridine: An Encumbering and Versatile Ligand for Transition-Metal Chemistry
• Authors of publication: Julia M. Stauber; Andrew L. Wadler; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7309 - 7316
• a: 23.298 ± 0.003 Å
• b: 20.346 ± 0.002 Å
• c: 18.482 ± 0.002 Å
• α: 90°
• β: 107.507 ± 0.002°
• γ: 90°
• Cell volume: 8355.1 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1201
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No