Information card for entry 4307859

Structure parameters

• Chemical name: Di[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]tricarbonylcobalt(1+) Tetracarbonylcobaltate(1-) cyclohexane solvate
• Formula: C50.5 H51 Co2 N4 O7
• Calculated formula: C50.5 H51 Co2 N4 O7
• Title of publication: Synthesis and Characterization of a Novel Cobalt Carbonyl N-Heterocyclic Carbene Salt. Crystal Structure of [Co(CO)3(IMes)2]+[Co(CO)4]-
• Authors of publication: Hendrik van Rensburg; Robert P. Tooze; Douglas F. Foster; Stefanus Otto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1963 - 1965
• a: 11.554 ± 0.002 Å
• b: 11.94 ± 0.002 Å
• c: 18.039 ± 0.003 Å
• α: 108.352 ± 0.003°
• β: 98.82 ± 0.003°
• γ: 90.829 ± 0.004°
• Cell volume: 2328.8 ± 0.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No