Information card for entry 1505724

Structure parameters

• Chemical name: tris(N,N-diethyldithiocarbamate)(2,2'-Bipyridyl)ytterbium(III)
• Formula: C25 H38 N5 S6 Yb
• Calculated formula: C25 H38 N5 S6 Yb
• SMILES: [Yb]1234([S]=C(S1)N(CC)CC)([S]=C(S2)N(CC)CC)([S]=C(S3)N(CC)CC)[n]1ccccc1c1[n]4cccc1
• Title of publication: Systematic behavior of charge-transfer transitions and energy level variation in soft donor complexes of the trivalent lanthanides.
• Authors of publication: Liu, G. K.; Jensen, M. P.; Almond, P. M.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2006
• Journal volume: 110
• Journal issue: 6
• Pages of publication: 2081 - 2088
• a: 17.4135 ± 0.0011 Å
• b: 10.5109 ± 0.0007 Å
• c: 17.2309 ± 0.0011 Å
• α: 90°
• β: 96.324 ± 0.001°
• γ: 90°
• Cell volume: 3134.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0392
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No