Information card for entry 7713019

Structure parameters

• Formula: C23 H32 N5 O12 Pr
• Calculated formula: C23 H32 N5 O12 Pr
• SMILES: [Pr]1234(ON(=[O]3)=O)(ON(=[O]4)=O)(ON(=[O]2)=O)(Oc2c(cccc2)[C@H](C)NCCCCCCN[C@@H](C)c2c(cccc2)O1)[OH]C.[Pr]1234(ON(=[O]3)=O)(ON(=[O]4)=O)(ON(=[O]2)=O)(Oc2c(cccc2)[C@@H](C)NCCCCCCN[C@H](C)c2c(cccc2)O1)[OH]C
• Title of publication: Interesting chemical and physical features in the products of the reactions between trivalent lanthanoids and a tetradentate Schiff base derived from cyclohexane-1,2-diamine
• Authors of publication: Mylonas-Margaritis, Ioannis; Lada, Zoi G.; Kitos, Alexandros; Maniaki, Diamantoula; Skordi, Katerina; Tasiopoulos, Anastasios; Bekiari, Vlasoula; Escuer, Albert; Mayans, Julia; Nastopoulos, Vasilis; Bakalbassis, Evangelos; Papaioannou, Dionissios A.; Perlepes, Spyros
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.0693 ± 0.0005 Å
• b: 10.8628 ± 0.0004 Å
• c: 15.4923 ± 0.0008 Å
• α: 72.376 ± 0.004°
• β: 82.65 ± 0.005°
• γ: 72.893 ± 0.004°
• Cell volume: 1389.01 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0391
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No