Information card for entry 4316338

Structure parameters

• Common name: 1,4,7,10-(2-pyridylmethyl)-1,4,7,10-tetra aza cyclodecane
• Chemical name: 1,4,7,10-(2-pyridylmethyl)-1,4,7,10-tetra aza cyclodecane
• Formula: C32 H40 N8
• Calculated formula: C32 H40 N8
• SMILES: C1CN(CCN(CCN(CCN1Cc1ncccc1)Cc1ncccc1)Cc1ncccc1)Cc1ncccc1
• 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: 14.7979 ± 0.0012 Å
• b: 6.5984 ± 0.0005 Å
• c: 15.9867 ± 0.0012 Å
• α: 90°
• β: 112.802 ± 0.007°
• γ: 90°
• Cell volume: 1439 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No