Information card for entry 7041219

Structure parameters

• Common name: Lanthanum(III) Diethylditiocarbamato-phenanthroline
• Chemical name: tris(N,N-diethyldithiocarbamato)(1,10-phenanthroline)lanthanum(III)
• Formula: C27 H38 La N5 S6
• Calculated formula: C27 H38 La N5 S6
• Title of publication: DFT calculations in the assignment of solid-state NMR and crystal structure elucidation of a lanthanum(iii) complex with dithiocarbamate and phenanthroline.
• Authors of publication: Gowda, Vasantha; Laitinen, Risto S.; Telkki, Ville-Veikko; Larsson, Anna-Carin; Antzutkin, Oleg N.; Lantto, Perttu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 48
• Pages of publication: 19473 - 19484
• a: 11.082 ± 0.002 Å
• b: 17.106 ± 0.003 Å
• c: 18.304 ± 0.004 Å
• α: 91.96 ± 0.03°
• β: 103.92 ± 0.03°
• γ: 94.31 ± 0.03°
• Cell volume: 3353.5 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No