Information card for entry 4322164

Structure parameters

• Formula: C50 H50 N12 O14 Pr2
• Calculated formula: C50 H42 N12 O14 Pr2
• SMILES: c12c3cccc[n]3[Pr]34567([n]1c(c1[n]3cccc1)nc(n2)c1ncccc1)([O](C(C)=[O]5)[Pr]12358([n]9c(c%10cccc[n]1%10)nc(nc9c1[n]2cccc1)c1ncccc1)([O]4C(C)=[O]3)([O]=C(C)O5)[O]=C(C)O8)([O]=C(C)O6)[O]=C(C)O7.CO.CO
• Title of publication: Crystal Structure and Solution Fluxionality of Lanthanide Complexes of 2,4,6,-Tris-2-pyridyl-1,3,5-triazine
• Authors of publication: Raphaël Wietzke; Marinella Mazzanti; Jean-Marc Latour; Jacques Pécaut
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3581 - 3585
• a: 9.369 ± 0.004 Å
• b: 11.168 ± 0.004 Å
• c: 12.663 ± 0.004 Å
• α: 93.01 ± 0.03°
• β: 105.534 ± 0.015°
• γ: 92.57 ± 0.02°
• Cell volume: 1272.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections: 0.1372
• Weighted residual factors for significantly intense reflections: 0.1295
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No