Information card for entry 7052804

Structure parameters

• Formula: C52 H108 Lu N9 O6 S4
• Calculated formula: C52 H108 Lu N9 O6 S4
• SMILES: C(=N[Lu]12(N=C=S)(ON(=[O]1)=O)(N=C=S)(N=C=S)ON(=[O]2)=O)=S.C(CCC)[N+](CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Crystal structure versus solution for two new lutetium thiocyanato complexes
• Authors of publication: Lozano-Rodriguez, M. J.; Copping, R.; Petit, S.; Solari, P. L.; Guilbaud, P.; Mustre de Leon, J.; Den Auwer, C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 12
• Pages of publication: 2755
• a: 24.921 ± 0.004 Å
• b: 25.341 ± 0.004 Å
• c: 41.507 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26213 ± 7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No