Information card for entry 4304474

Structure parameters

• Chemical name: tris(diethyldithiocarbamato)(1,10-phenanthroline)praseodymium(III)
• Formula: C27 H38 N5 Pr S6
• Calculated formula: C27 H38 N5 Pr S6
• SMILES: [Pr]1234([S]=C(S1)N(CC)CC)([S]=C(S3)N(CC)CC)(SC(=[S]2)N(CC)CC)[n]1c2c(ccc1)ccc1c2[n]4ccc1
• Title of publication: Luminescence of Ln(III) Dithiocarbamate Complexes (Ln = La, Pr, Sm, Eu, Gd, Tb, Dy)
• Authors of publication: Michelle D. Regulacio; Michele H. Pablico; Joan Acay Vasquez; Peter N. Myers; Stuart Gentry; Michael Prushan; Suk-Wah Tam-Chang; Sarah L. Stoll
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1512 - 1523
• a: 16.9446 ± 0.0012 Å
• b: 10.6288 ± 0.0007 Å
• c: 18.7135 ± 0.0013 Å
• α: 90°
• β: 96.879 ± 0.001°
• γ: 90°
• Cell volume: 3346.1 ± 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: 0.0284
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No