Information card for entry 4317381

Structure parameters

• Formula: C30 H24 F15 Ho O3 S3
• Calculated formula: C30 H24 F15 Ho O3 S3
• SMILES: [Ho]1(Sc2c(c(c(c(c2F)F)F)F)[F]1)(Sc1c(c(c(c(c1F)F)F)F)F)(Sc1c(c(c(c(c1F)F)F)F)F)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 12.004 ± 0.005 Å
• b: 22.247 ± 0.011 Å
• c: 12.697 ± 0.004 Å
• α: 90 ± 0.03°
• β: 97.71 ± 0.03°
• γ: 90 ± 0.04°
• Cell volume: 3360 ± 2 ų
• Cell temperature: 153 ± 5 K
• Ambient diffraction temperature: 153 ± 5 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No