Information card for entry 7008043

Structure parameters

• Formula: C66 H127 Cl3 Gd5 N12.5 O60.5
• Calculated formula: C61 H54 Cl3 Gd5 N12.5 O60.5
• Title of publication: The effect of pyridinecarboxylate chelating groups on the stability and electronic relaxation of gadolinium complexes.
• Authors of publication: Chatterton, Nicholas; Gateau, Christelle; Mazzanti, Marinella; Pécaut, Jacques; Borel, Alain; Helm, Lothar; Merbach, André
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 6
• Pages of publication: 1129 - 1135
• a: 15.9134 ± 0.001 Å
• b: 19.2805 ± 0.0013 Å
• c: 17.3626 ± 0.0011 Å
• α: 90°
• β: 98.281 ± 0.001°
• γ: 90°
• Cell volume: 5271.6 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2056
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No