Information card for entry 7030512

Structure parameters

• Formula: C36 H38 N8 O10 Pr2
• Calculated formula: C36 H38 N8 O10 Pr2
• SMILES: c12ccccc2C=[N]2CC[NH]3CC[N]4=Cc5ccccc5[O]5[Pr]6234(ON(=[O]6)=O)(O1)[O]1c2c(C=[N]3CC[NH]4CC[N]6=Cc7c(cccc7)O[Pr]751346ON(=[O]7)=O)cccc2
• Title of publication: Syntheses, characterisation, magnetism and photoluminescence of a homodinuclear Ln(III)-Schiff base family
• Authors of publication: Chakraborty, Joy; Ray, Aurkie; Pilet, Guillaume; Chastanet, Guillaume; Luneau, Dominique; Ziessel, Raymond F.; Charbonnière, Loïc J.; Carrella, Luca; Rentschler, Eva; El Fallah, M. S.; Mitra, Samiran
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 10263 - 10272
• a: 12.8085 ± 0.0004 Å
• b: 11.9086 ± 0.0006 Å
• c: 13.897 ± 0.0005 Å
• α: 90°
• β: 110.368 ± 0.002°
• γ: 90°
• Cell volume: 1987.19 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0988
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections: 0.1223
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0657
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002882
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No