Information card for entry 4074780

Structure parameters

• Formula: C66 H72 Li O4 P4 S4 Tm
• Calculated formula: C66 H72 Li O4 P4 S4 Tm
• SMILES: C12=P(c3ccccc3)(c3ccccc3)S[Tm]342([S]=P1(c1ccccc1)c1ccccc1)C(=P(c1ccccc1)(c1ccccc1)S3)P(=[S]4)(c1ccccc1)c1ccccc1.[Li]([O]1CCCC1)([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: 26.443 ± 0.001 Å
• b: 14.688 ± 0.001 Å
• c: 17.092 ± 0.001 Å
• α: 90°
• β: 98.68 ± 0.001°
• γ: 90°
• Cell volume: 6562.4 ± 0.6 ų
• Cell temperature: 230 ± 0.1 K
• Ambient diffraction temperature: 230 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No