Information card for entry 7027676

Structure parameters

• Formula: C36 H66 La Li N4 O19 P4
• Calculated formula: C36 H44 La N4 O18.675 P4
• Title of publication: Synthesis, crystal structures and NMR and luminescence spectra of lanthanide complexes of 1,4,7,10-tetraazacyclododecane with N-methylene(phenyl)phosphinic acid pendant arms †
• Authors of publication: Rohovec, Jan; Vojtíšek, Pavel; Hermann, Petr; Mosinger, Jiří; Žák, Zdirad; Lukeš, Ivan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 20
• Pages of publication: 3585
• a: 24.145 ± 0.002 Å
• b: 24.458 ± 0.001 Å
• c: 20.16 ± 0.002 Å
• α: 90°
• β: 113.855 ± 0.009°
• γ: 90°
• Cell volume: 10888.2 ± 1.7 ų
• Cell temperature: 170 ± 1 K
• Ambient diffraction temperature: 170 ± 1 K
• Number of distinct elements: 7
• 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: 0.156
• Residual factor for significantly intense reflections: 0.1239
• Weighted residual factors for significantly intense reflections: 0.3412
• Weighted residual factors for all reflections included in the refinement: 0.3942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.546
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No