Information card for entry 7008922

Structure parameters

• Formula: C30 H50 Er N4 O11 P3
• Calculated formula: C30 H40 Er N4 O10.51 P3
• 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: 13.048 ± 0.016 Å
• b: 19.56 ± 0.06 Å
• c: 16.535 ± 0.015 Å
• α: 90°
• β: 111.32 ± 0.09°
• γ: 90°
• Cell volume: 3931 ± 14 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: 0.1397
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.2516
• Weighted residual factors for all reflections included in the refinement: 0.2947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No