Information card for entry 7221539

Structure parameters

• Formula: C28 H34 Cl2 N5 Nd O3 S6
• Calculated formula: C28 H34 Cl2 N5 Nd O3 S6
• SMILES: C1(=[S][Nd]234([n]5cccc6c5c5c(cc6)ccc[n]25)(S1)([S]=C(N1CCOCC1)S3)SC(=[S]4)N1CCOCC1)N1CCOCC1.C(Cl)Cl
• Title of publication: Lanthanide (III) Morpholine 4-Dithiocarbamate Complexes: Pr(III) Derivative Shows First Example of Polymeric Lanthanide(III) Dithiocarbamate
• Authors of publication: Nayek, Hari Pada; Mahato, Mamata; Jana, Partha P.; Harms, Klaus
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.783 ± 0.0007 Å
• b: 10.922 ± 0.0008 Å
• c: 17.282 ± 0.0013 Å
• α: 78.322 ± 0.007°
• β: 88.233 ± 0.006°
• γ: 65.392 ± 0.007°
• Cell volume: 1808.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0835
• 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