Information card for entry 4074781

Structure parameters

• Formula: C80 H68 Li O3 P4 S4 Tm
• Calculated formula: C80 H68 Li O3 P4 S4 Tm
• SMILES: O12[Tm]345(SP(c6ccccc6)(c6ccccc6)=C(C1(c1ccccc1)c1ccccc1)P(c1ccccc1)(c1ccccc1)=[S]5)[O]([Li]2[O]1CCCC1)C(C(=P(c1ccccc1)(c1ccccc1)S3)P(=[S]4)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 20.075 ± 0.001 Å
• b: 11.607 ± 0.001 Å
• c: 29.648 ± 0.001 Å
• α: 90°
• β: 108.351 ± 0.001°
• γ: 90°
• Cell volume: 6557 ± 0.7 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No