Information card for entry 7010624

Structure parameters

• Formula: C46 H56 Eu F9 N12 O24 S3
• Calculated formula: C46 H56 Eu F9 N12 O24 S3
• SMILES: [Eu]1234567([N]8(CC[N]1(CC[N]2(CC[N]3(CC8)CC(=[O]4)Nc1ccc(N(=O)=O)cc1)CC(=[O]6)Nc1ccc(N(=O)=O)cc1)CC(=[O]7)Nc1ccc(N(=O)=O)cc1)CC(=[O]5)Nc1ccc(N(=O)=O)cc1)[OH]C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.OC.OC
• Title of publication: Importance of the chromophore orientation to the ligand-to-metal energy transfer in lanthanide complexes with pendant-arm fitted cyclen derivatives
• Authors of publication: Zucchi, Gaël; Scopelliti, Rosario; Bünzli, Jean-Claude G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 1975
• a: 12.897 ± 0.002 Å
• b: 12.942 ± 0.005 Å
• c: 19.237 ± 0.003 Å
• α: 87.85 ± 0.03°
• β: 84.358 ± 0.01°
• γ: 86.51 ± 0.03°
• Cell volume: 3187.8 ± 1.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 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: 0.1116
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2858
• Weighted residual factors for all reflections included in the refinement: 0.2917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No