Information card for entry 4344988

Structure parameters

• Formula: C12 H26 N5 O13 Pr
• Calculated formula: C12 H26 N5 O13 Pr
• SMILES: [Pr]12345678(ON(=[O]1)=O)(ON(=[O]2)=O)([O]=N(=O)O3)[NH]1CC[O]5CC[O]6CC[NH]4CC[O]7CC[O]8CC1
• 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: 8.8505 ± 0.0008 Å
• b: 10.2465 ± 0.001 Å
• c: 12.6463 ± 0.0014 Å
• α: 83.884 ± 0.004°
• β: 76.195 ± 0.004°
• γ: 67.02 ± 0.003°
• Cell volume: 1025.22 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No