Information card for entry 4311540

Structure parameters

• Formula: C114 H178 Cl2 Li2 N6 Nd2 O12
• Calculated formula: C114 H178 Cl2 Li2 N6 Nd2 O12
• SMILES: [Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[Cl][Nd]12([N](c3c(cccc3C(C)C)C(C)C)=C(CCC3c4cccc5C(=C)N([Nd]([N]=3c3c(cccc3C(C)C)C(C)C)([n]45)([O]3CCCC3)([O]3CCCC3)[Cl][Li]([O]3CCCC3)([O]3CCCC3)[O]3CCCC3)c3c(cccc3C(C)C)C(C)C)c3cccc(C(=C)N2c2c(cccc2C(C)C)C(C)C)[n]13)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Preparation, Characterization, and Magnetic Behavior of the Ln Derivatives (Ln = Nd, La) of a 2,6-Diiminepyridine Ligand and Corresponding Dianion
• Authors of publication: Hiroyasu Sugiyama; Ilia Korobkov; Sandro Gambarotta; Angela Möller; Peter H. M. Budzelaar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5771 - 5779
• a: 13.6306 ± 0.0016 Å
• b: 15.4084 ± 0.0018 Å
• c: 15.4759 ± 0.0018 Å
• α: 90.594 ± 0.002°
• β: 114.928 ± 0.0019°
• γ: 92.662 ± 0.002°
• Cell volume: 2942.7 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.1332
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No