Information card for entry 7002137

Structure parameters

• Formula: C17 H27 N10 Nd O13
• Calculated formula: C17 H27 N10 Nd O13
• SMILES: c1cc2[n]3[Nd]45678(ON(=[O]6)=O)([N](=C2)NC(=[O]4)C)([N](=Cc3c1)NC(=[O]5)C)([O]=N(=O)O7)[O]=N(=O)O8.C(=O)N(C)C.C(=O)N(C)C
• 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: 19.8305 ± 0.0002 Å
• b: 13.0671 ± 0.0002 Å
• c: 11.9848 ± 0.0001 Å
• α: 90°
• β: 112.92 ± 0.001°
• γ: 90°
• Cell volume: 2860.4 ± 0.06 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0195
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No