Information card for entry 2206104

Structure parameters

• Chemical name: [N,N-diisopropyl-2,2'-(2,3-naphthalenedioxy)diacetamide]trinitratoneodymium(III) acetone solvate
• Formula: C29 H44 N5 Nd O14
• Calculated formula: C29 H44 N5 Nd O14
• SMILES: [Nd]123456([O](c7cc8ccccc8cc7[O]2CC(=[O]3)N(C(C)C)C(C)C)CC(=[O]1)N(C(C)C)C(C)C)([O]=N(O4)=O)([O]=N(O5)=O)[O]=N(O6)=O.O=C(C)C
• Title of publication: [<i>N,N</i>-Diisopropyl-2,2'-(2,3-naphthalenedioxy)diacetamide]trinitratoneodymium(III) acetone solvate
• Authors of publication: Lei, Ke-Wei; Liu, Wei-Sheng; Yu, Kai-Bei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1159 - m1160
• a: 13.457 ± 0.003 Å
• b: 19.807 ± 0.003 Å
• c: 14.08 ± 0.003 Å
• α: 90°
• β: 97.15 ± 0.02°
• γ: 90°
• Cell volume: 3723.7 ± 1.3 ų
• Cell temperature: 287 ± 2 K
• Ambient diffraction temperature: 287 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes