Information card for entry 4308495

Structure parameters

• Formula: C50 H68 K3 N4 Nd O9 S12
• Calculated formula: C53 H53 K3 N Nd O9 S12
• Title of publication: Tris(dithiolene) Complexes of Neodymium and Cerium: Mononuclear Species, Chains, and Honeycomb Networks
• Authors of publication: Mathieu Roger; Thérèse Arliguie; Pierre Thuéry; Marc Fourmigué; Michel Ephritikhine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 584 - 593
• a: 10.3168 ± 0.0005 Å
• b: 18.6713 ± 0.0014 Å
• c: 19.3117 ± 0.0015 Å
• α: 118.759 ± 0.003°
• β: 90.469 ± 0.004°
• γ: 92.869 ± 0.004°
• Cell volume: 3254.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No