Information card for entry 7027366

Structure parameters

• Formula: C34 H48 N14 O
• Calculated formula: C34 H44 N14 O
• 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: 11.32 ± 0.014 Å
• b: 21.98 ± 0.02 Å
• c: 16.689 ± 0.018 Å
• α: 90°
• β: 109.698 ± 0.01°
• γ: 90°
• Cell volume: 3909 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2222
• Residual factor for significantly intense reflections: 0.1345
• Weighted residual factors for significantly intense reflections: 0.3144
• Weighted residual factors for all reflections included in the refinement: 0.3765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No