Information card for entry 4344986

Structure parameters

• Formula: C12 H24 N3 Nd O15
• Calculated formula: C12 H24 N3 Nd O15
• SMILES: [Nd]12345678(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)[O]1CC[O]8CC[O]7CC[O]6CC[O]5CC[O]4CC1
• Title of publication: Light Lanthanide Complexes with Crown Ether and Its Aza Derivative Which Show Slow Magnetic Relaxation Behaviors.
• Authors of publication: Wada, Hisami; Ooka, Sayaka; Yamamura, Tomoo; Kajiwara, Takashi
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 147 - 155
• a: 12.1528 ± 0.0014 Å
• b: 15.5137 ± 0.0017 Å
• c: 21.672 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4085.9 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No