Information card for entry 4308494

Structure parameters

• Formula: C46 H80 Na3 Nd O13 S12
• Calculated formula: C46 H68 Na3 Nd O13 S12
• SMILES: [Nd]123(SC4SCCSC=4S1)(SC1=C(S2)SCCS1)(SC1=C(S3)SCCS1)[O]1CCCC1.[Na+].[Na+].[Na+].O1CCOCCOCCOCCOCCOCC1.O1CCOCCOCCOCCOCCOCC1.O1CCCC1
• 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: 10.1439 ± 0.0008 Å
• b: 18.4818 ± 0.0011 Å
• c: 19.2305 ± 0.0015 Å
• α: 118.159 ± 0.004°
• β: 92.238 ± 0.004°
• γ: 94.281 ± 0.004°
• Cell volume: 3158.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No