Information card for entry 7002136

Structure parameters

• Formula: C54 H56 Br4 F9 La N10 O17 S3
• Calculated formula: C54 H56 Br4 F9 La N10 O17 S3
• SMILES: [La]12345678([O]=C(c9ccc(cc9)Br)N[N]1=Cc1[n]2c(ccc1)C=[N]3NC(c1ccc(cc1)Br)=[O]4)([O]=C(c1ccc(cc1)Br)N[N]5=Cc1[n]6c(ccc1)C=[N]7NC(c1ccc(cc1)Br)=[O]8)OS(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.CCOCC.CCOCC.OC.O
• Title of publication: 1 : 1 vs. 2 : 1 coordination of pentadentate hydrazone-type ligands to lanthanide(iii) ions. Formation of cationic as well as dicationic complexes
• Authors of publication: Albrecht, Markus; Yulia, Yeni; Exarchos, Anna; Nachev, Philipp; Fröhlich, Roland
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 36
• Pages of publication: 7421 - 7427
• a: 20.6299 ± 0.0004 Å
• b: 16.7038 ± 0.0004 Å
• c: 21.2816 ± 0.0006 Å
• α: 90°
• β: 103.985 ± 0.001°
• γ: 90°
• Cell volume: 7116.2 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1425
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No