Information card for entry 4317379

Structure parameters

• Formula: C26 H20 Er F15 O4 S3
• Calculated formula: C26 H20 Er F15 O4 S3
• Title of publication: Trivalent Lanthanide Compounds with Fluorinated Thiolate Ligands: Ln-F Dative Interactions Vary with Ln and Solvent
• Authors of publication: Jonathan H. Melman; Christa Rohde; Thomas J. Emge; John G. Brennan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 28 - 33
• a: 33.071 ± 0.007 Å
• b: 8.941 ± 0.0015 Å
• c: 21.544 ± 0.003 Å
• α: 90 ± 0.01°
• β: 90.46 ± 0.01°
• γ: 90 ± 0.02°
• Cell volume: 6370.1 ± 1.9 ų
• Cell temperature: 153 ± 5 K
• Ambient diffraction temperature: 153 ± 5 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No