Information card for entry 4344985

Structure parameters

• Formula: C12 H24 N3 O15 Pr
• Calculated formula: C12 H24 N3 O15 Pr
• SMILES: [Pr]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: 12.1556 ± 0.0013 Å
• b: 15.5056 ± 0.0017 Å
• c: 21.678 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4085.9 ± 0.7 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: 0.0428
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No