Information card for entry 7033749

Structure parameters

• Formula: C24 H42 Cu N6 O9
• Calculated formula: C24 H42 Cu N6 O9
• Title of publication: Stable Mn(2+), Cu(2+) and Ln(3+) complexes with cyclen-based ligands functionalized with picolinate pendant arms.
• Authors of publication: Rodríguez-Rodríguez, Aurora; Garda, Zoltán; Ruscsák, Erika; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Lima, Luís M P; Beyler, Maryline; Tripier, Raphaël; Tircsó, Gyula; Platas-Iglesias, Carlos
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 11
• Pages of publication: 5017 - 5031
• a: 10.2042 ± 0.0007 Å
• b: 16.8211 ± 0.0011 Å
• c: 16.8403 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2890.6 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No