Information card for entry 4317382

Structure parameters

• Formula: C40.5 H22.5 F15 N4.5 S3 Sm
• Calculated formula: C40.5 H22.5 F15 N4.5 S3 Sm
• 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: 9.51 ± 0.003 Å
• b: 14.644 ± 0.005 Å
• c: 15.911 ± 0.009 Å
• α: 108.96 ± 0.04°
• β: 92.21 ± 0.03°
• γ: 95 ± 0.03°
• Cell volume: 2082.4 ± 1.6 ų
• Cell temperature: 153 ± 5 K
• Ambient diffraction temperature: 153 ± 5 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1293
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No