Information card for entry 4316341

Structure parameters

• Formula: C38 H44.5 F9 N9.5 O9 S3 Tb
• Calculated formula: C38 H44.5 F9 N9.5 O9 S3 Tb
• SMILES: C1C[N]23CC[N]45CC[N]67CC[N]81Cc1cccc[n]1[Tb]3578([N]#CC)([n]1c(C2)cccc1)([n]1c(C4)cccc1)[n]1c(C6)cccc1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(#N)C
• Title of publication: Probing the Structure, Conformation, and Stereochemical Exchange in a Family of Lanthanide Complexes Derived from Tetrapyridyl-Appended Cyclen
• Authors of publication: Louise S. Natrajan; Ntai M. Khoabane; Benjamin L. Dadds; Christopher A. Muryn; Robin G. Pritchard; Sarah L. Heath; Alan M. Kenwright; Ilya Kuprov; Stephen Faulkner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7700 - 7709
• a: 10.6712 ± 0.0008 Å
• b: 40.118 ± 0.003 Å
• c: 21.2798 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9110 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1126
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No