Information card for entry 4303865

Structure parameters

• Formula: C52 H114.5 N8 O27.25 P6 Tb2
• Calculated formula: C52 H112.825 N8 O27.25 P6 Tb2
• Title of publication: Solid State and Solution Dynamics of Pyridine Based Tetraaza-Macrocyclic Lanthanide Chelates Possessing Phosphonate Ligating Functionality (Ln-PCTMB): Effect on Relaxometry and Optical Properties
• Authors of publication: Garry E. Kiefer; Mark Woods
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11767 - 11778
• a: 14.341 ± 0.006 Å
• b: 16.552 ± 0.007 Å
• c: 18.666 ± 0.008 Å
• α: 63.701 ± 0.005°
• β: 71.826 ± 0.005°
• γ: 75.39 ± 0.005°
• Cell volume: 3740 ± 3 ų
• Cell temperature: 383 ± 2 K
• Ambient diffraction temperature: 383 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No