Information card for entry 7027364

Structure parameters

• Formula: C13 H20 N11 O12 Sm
• Calculated formula: C13 H14 N11 O12 Sm
• Title of publication: Experimental and theoretical studies of a triazole ligand and complexes formed with the lanthanides
• Authors of publication: Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2433
• a: 9.353 ± 0.012 Å
• b: 29.59 ± 0.03 Å
• c: 9.889 ± 0.012 Å
• α: 90°
• β: 112.946 ± 0.01°
• γ: 90°
• Cell volume: 2520 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No