Information card for entry 2202908

Structure parameters

• Chemical name: Aqua[N,N',N'',N'''-tetrakis(2-hydroxyethyl)-1,4,7,10- tetrazacyclododecane-κ^4^N]neodymium(III) tris(perchlorate) 1.25-hydrate
• Formula: C16 H40.5 Cl3 N4 Nd O18.25
• Calculated formula: C16 H40.5 Cl3 N4 Nd O18.25
• Title of publication: Aqua[<i>N,N</i>',<i>N</i>'',<i>N</i>'''-tetrakis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododecane-κ^4^<i>N</i>]neodymium(III) tris(perchlorate) 1.25-hydrate
• Authors of publication: Richards-Johnson, Roxan U.; Kahwa, Ishenkumba A.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m1022 - m1024
• a: 17.3365 ± 0.0002 Å
• b: 20.7247 ± 0.0002 Å
• c: 17.8135 ± 0.0002 Å
• α: 90°
• β: 109.969 ± 0.001°
• γ: 90°
• Cell volume: 6015.48 ± 0.12 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes