Information card for entry 4347021

Structure parameters

• Formula: C26 H48 Cl Lu N6 O10
• Calculated formula: C26 H48 Cl Lu N6 O10
• SMILES: C1(=O)c2[n]3c(ccc2)C[N]24CC[N]5(C)CCC[N]67Cc8cccc9C(=O)O[Lu]3457(O1)([n]89)[N](CC6)(CCC2)C.[Cl-].O.O.O.O.O.O
• Title of publication: Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.
• Authors of publication: Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2227 - 2239
• a: 17.7491 ± 0.0005 Å
• b: 15.1219 ± 0.0004 Å
• c: 12.1887 ± 0.0003 Å
• α: 90°
• β: 103.785 ± 0.001°
• γ: 90°
• Cell volume: 3177.22 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0149
• Residual factor for significantly intense reflections: 0.0141
• Weighted residual factors for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.0374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No