Information card for entry 7132935

Structure parameters

• Formula: C72 H98 I Nd S2
• Calculated formula: C72 H98 I Nd S2
• Title of publication: Exploring sulfur donor atom coordination chemistry with La(II), Nd(II), and Tm(II) using a terphenylthiolate ligand.
• Authors of publication: Gilbert-Bass, Kito; Stennett, Cary R.; Grotjahn, Robin; Ziller, Joseph W.; Furche, Filipp; Evans, William J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 34
• Pages of publication: 4601 - 4604
• a: 13.3492 ± 0.0008 Å
• b: 14.1047 ± 0.0008 Å
• c: 18.6556 ± 0.0011 Å
• α: 102.433 ± 0.001°
• β: 94.721 ± 0.001°
• γ: 99.287 ± 0.001°
• Cell volume: 3360.2 ± 0.3 ų
• Cell temperature: 133.15 K
• Ambient diffraction temperature: 133.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No