Information card for entry 7015567

Structure parameters

• Formula: C49 H48 Gd3 N9 O39.5 S3.5
• Calculated formula: C49.02 H48 Gd3 N9 O39.51 S3.51
• Title of publication: Structure, stability and relaxivity of trinuclear triangular complexes.
• Authors of publication: Zebret, Soumaila; Torres, Elena; Terreno, Enzo; Guénée, Laure; Senatore, Carmine; Hamacek, Josef
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4284 - 4290
• a: 24.4761 ± 0.0011 Å
• b: 24.4761 ± 0.0011 Å
• c: 24.4761 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14663.1 ± 1.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No