Information card for entry 7109404

Structure parameters

• Common name: Hg[Co(CO)4)]2.C60.toluene
• Formula: C75 H8 Co2 Hg O8
• Calculated formula: C75 H8 Co2 Hg O8
• Title of publication: Reshaping molecules through cocrystallization. Comparison of the structures of Hg{Co(CO)4}2 and Hg{Co(CO)4}2*00B7;C60*00B7;toluene
• Authors of publication: Faye L. Bowles; Marilyn M. Olmstead; Christine M. Beavers; Alan L. Balch
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5921
• a: 10.1012 ± 0.0004 Å
• b: 13.6265 ± 0.0006 Å
• c: 32.2524 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4439.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No