Information card for entry 7008921

Structure parameters

• Formula: C30 H52 N4 O12 P3 Tb
• Calculated formula: C30 H40 N4 O12 P3 Tb
• Title of publication: Derivative of cyclen with three methylene(phenyl)phosphinic acid pendant arms. Synthesis and crystal structures of its lanthanide complexes
• Authors of publication: Rohovec, Jan; Vojtíšek, Pavel; Hermann, Petr; Ludvík, Jiří; Lukeš, Ivan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 141
• a: 13.047 ± 0.003 Å
• b: 20.238 ± 0.006 Å
• c: 15.841 ± 0.004 Å
• α: 90°
• β: 112.19 ± 0.02°
• γ: 90°
• Cell volume: 3873 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1064
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2475
• Weighted residual factors for all reflections included in the refinement: 0.2677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No