Information card for entry 4325838

Structure parameters

• Common name: (mu-I)2[CoI(2,5-Mes2py)]2
• Formula: C46 H50 Co2 I4 N2
• Calculated formula: C46 H50 Co2 I4 N2
• SMILES: I[Co]1([I][Co](I)([I]1)[n]1c(ccc(c1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[n]1c(ccc(c1)c1c(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: 21.544 ± 0.006 Å
• b: 14.986 ± 0.004 Å
• c: 16.98 ± 0.005 Å
• α: 90°
• β: 120.478 ± 0.003°
• γ: 90°
• Cell volume: 4725 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No