Information card for entry 4109856

Structure parameters

• Common name: Compound 2
• Formula: C60 H74 Cd2 I2
• Calculated formula: C60 H74 Cd2 I2
• SMILES: [I]1[Cd]([I][Cd]1c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and Characterization of the Homologous M-M Bonded Series Ar'MMAr' (M = Zn, Cd, or Hg; Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) and Related Arylmetal Halides and Hydride Species
• Authors of publication: Zhongliang Zhu; Marcin Brynda; Robert J. Wright; Roland C. Fischer; W. Alexander Merrill; Eric Rivard; Robert Wolf; James C. Fettinger; Marilyn M. Olmstead; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 10847 - 10857
• a: 11.2906 ± 0.0008 Å
• b: 18.915 ± 0.0012 Å
• c: 26.6677 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5695.2 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No