Information card for entry 7115141

Structure parameters

• Common name: [La3(?3-trenterpy)2(Otf)4(H2O)2](Otf)5.2H2O.2CH3CN
• Formula: C121 H104 F27 La3 N28 O37 S9
• Calculated formula: C121 H90 F27 La3 N28 O35 S9
• Title of publication: Unprecedented self-assembly of M3L2 trinuclear lanthanide complexes assisted by a flexible tripodal ligand containing terpyridine binding units
• Authors of publication: Bretonnière, Yann; Mazzanti, Marinella; Wietzke, Raphael; Pécaut, Jacques
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 1543
• a: 19.2737 ± 0.0009 Å
• b: 26.459 ± 0.0012 Å
• c: 30.2609 ± 0.0014 Å
• α: 90°
• β: 93.874 ± 0.001°
• γ: 90°
• Cell volume: 15396.7 ± 1.2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 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: 0.2163
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2492
• Weighted residual factors for all reflections included in the refinement: 0.2881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.326
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No