Information card for entry 7012226

Structure parameters

• Formula: C23.75 H45.5 Gd N6 O9.5
• Calculated formula: C23.75 H40 Gd N6 O9.5
• Title of publication: Lanthanide complexes of iminocarboxylate ligands derived from 1,4,7-triazacyclononane: structural characterisation and relaxivity of the GdIII and luminescence of the EuIII complexesElectronic supplementary information (ESI) available: 1H NMR spectra of [Y(L1)(CH3CO2)] (6) in D2O at 298 K and 1H NMR data on acid-catalysed hydrolysis of [La(L)] (5) in D2O (pD = 4.4). See http://www.rsc.org/suppdata/dt/b2/b209090m/
• Authors of publication: Tei, Lorenzo; Blake, Alexander J.; George, Michael W.; Weinstein, Julia A.; Wilson, Claire; Schröder, Martin
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1693
• a: 28.019 ± 0.0012 Å
• b: 28.019 ± 0.0012 Å
• c: 23.1774 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15758 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No