Information card for entry 4303907

Structure parameters

• Formula: C34 H58 Ca Cl2 N6 O14
• Calculated formula: C34 H58 Ca Cl2 N6 O14
• Title of publication: Eight-Coordinate Zn(II), Cd(II), and Pb(II) Complexes Based on a 1,7-Diaza-12-crown-4 Platform Endowed with a Remarkable Selectivity over Ca(II)
• Authors of publication: Raquel Ferreirós-Martínez; David Esteban-Gómez; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11821 - 11831
• a: 22.423 ± 0.004 Å
• b: 12.328 ± 0.005 Å
• c: 15.003 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4147 ± 3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No