Information card for entry 7011148

Structure parameters

• Formula: C58 H59 Dy N6 O9
• Calculated formula: C58 H59 Dy N6 O9
• SMILES: [Dy]123(Oc4n(nc(c4C(=[O]1)Cc1ccccc1)C)c1ccccc1)(Oc1n(nc(c1C(=[O]2)Cc1ccccc1)C)c1ccccc1)(Oc1n(nc(c1C(=[O]3)Cc1ccccc1)C)c1ccccc1)([OH]CC)[OH2].OCC
• Title of publication: Synthesis, structure and luminescence properties of new rare earth metal complexes with 1-phenyl-3-methyl-4-acylpyrazol-5-ones
• Authors of publication: Claudio Pettinari; Fabio Marchetti; Riccardo Pettinari; Andrei Drozdov; Sergei Troyanov; Alexander I. Voloshin; Nail M. Shavaleev
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1409 - 1415
• a: 13.526 ± 0.003 Å
• b: 15.219 ± 0.003 Å
• c: 16.225 ± 0.003 Å
• α: 63.31 ± 0.03°
• β: 85.2 ± 0.03°
• γ: 63.76 ± 0.03°
• Cell volume: 2648.9 ± 1.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1409
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections: 0.2647
• Weighted residual factors for significantly intense reflections: 0.1156
• Goodness-of-fit parameter for all reflections: 0.928
• Goodness-of-fit parameter for significantly intense reflections: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No