Information card for entry 7012227

Structure parameters

• Formula: C19 H33 Gd N5 O7
• Calculated formula: C19 H29 Gd N5 O7
• 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: 11.213 ± 0.002 Å
• b: 15.138 ± 0.003 Å
• c: 15.278 ± 0.003 Å
• α: 90°
• β: 111.476 ± 0.004°
• γ: 90°
• Cell volume: 2413.3 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1127
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No