Information card for entry 4325840

Structure parameters

• Common name: CoBr2(THF)(2,5-Mes2py)2
• Formula: C27 H33 Br2 Co N O
• Calculated formula: C27 H33 Br2 Co N O
• SMILES: Br[Co](Br)([n]1c(ccc(c1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[O]1CCCC1
• 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: 18.454 ± 0.005 Å
• b: 9.218 ± 0.002 Å
• c: 16.758 ± 0.004 Å
• α: 90°
• β: 109.199 ± 0.003°
• γ: 90°
• Cell volume: 2692.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0954
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No