Information card for entry 7114762

Structure parameters

• Formula: C21 H24 Gd N4 O10.5
• Calculated formula: C21 H24 Gd N4 O10.5
• Title of publication: A new heptadentate tripodal ligand leading to a gadolinium complex with an improved relaxation efficiency
• Authors of publication: Bretonnière, Yann; Mazzanti, Marinella; Pécaut, Jacques; Dunand, Frank A.; Merbach, André E.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 621
• a: 13.0347 ± 0.0015 Å
• b: 15.6221 ± 0.0017 Å
• c: 23.506 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4786.5 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No