Information card for entry 4315157

Structure parameters

• Common name: eisjfm29
• Formula: C104 H92 Cu6 F8 I6 N24 O2
• Calculated formula: C104 H92 Cu6 F8 I6 N24 O2
• Title of publication: Tetranuclear Copper(I) Iodide Complexes of Chelating Bis(1-benzyl-1H-1,2,3-triazole) Ligands: Structural Characterization and Solid State Photoluminescence
• Authors of publication: Gerald F. Manbeck; William W. Brennessel; Christopher M. Evans; Richard Eisenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2834 - 2843
• a: 14.0558 ± 0.0007 Å
• b: 14.4281 ± 0.0007 Å
• c: 15.4527 ± 0.0008 Å
• α: 70.249 ± 0.001°
• β: 88.674 ± 0.001°
• γ: 65.815 ± 0.001°
• Cell volume: 2666.2 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No