Information card for entry 4109855

Structure parameters

• Common name: Compound 1
• Formula: C74 H90 I2 Zn2
• Calculated formula: C74 H90 I2 Zn2
• 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: 13.9561 ± 0.0004 Å
• b: 22.5253 ± 0.0006 Å
• c: 24.9183 ± 0.0006 Å
• α: 90°
• β: 121.322 ± 0.003°
• γ: 90°
• Cell volume: 6691.8 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.0583
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No