Information card for entry 4074779

Structure parameters

• Formula: C66 H72 Li O4 P4 S4 Tm
• Calculated formula: C66 H72 Li O4 P4 S4 Tm
• SMILES: [Tm]1234([S]=P(C3=P(S1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[S]=P(C4=P(S2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[O]1(CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Thulium Alkylidene Complexes: Synthesis, X-ray Structures, and Reactivity
• Authors of publication: Cantat, Thibault; Jaroschik, Florian; Ricard, Louis; Le Floch, Pascal; Nief, François; Mézailles, Nicolas
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1329 - 1332
• a: 14.886 ± 0.001 Å
• b: 20.606 ± 0.001 Å
• c: 22.273 ± 0.001 Å
• α: 74.52 ± 0.001°
• β: 79.54 ± 0.001°
• γ: 76.42 ± 0.001°
• Cell volume: 6348.4 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 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: 0.0961
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No