Information card for entry 2236682

Structure parameters

• Chemical name: Diaquatris(nitrato-κ^2^<i>O</i>,<i>O</i>'){2,2'-[pyridine-2,6- diylbis(methyleneoxy)]dibenzaldehyde-κ<i>O</i>^1^}dysprosium(III)– 2,2'-[pyridine-2,6-diylbis(methyleneoxy)]dibenzaldehyde (1/1)
• Formula: C42 H38 Dy N5 O19
• Calculated formula: C42 H38 Dy N5 O19
• SMILES: [Dy]123([O]=Cc4ccccc4OCc4nc(ccc4)COc4ccccc4C=O)([OH2])([OH2])([O]=N(=O)O1)(ON(=[O]3)=O)ON(=[O]2)=O.O=Cc1ccccc1OCc1nc(ccc1)COc1ccccc1C=O
• Title of publication: Diaquatris(nitrato-κ^2^<i>O</i>,<i>O</i>'){2,2'-[pyridine-2,6-diylbis(methyleneoxy)]dibenzaldehyde-κ<i>O</i>^1^}dysprosium(III)–2,2'-[pyridine-2,6-diylbis(methyleneoxy)]dibenzaldehyde (1/1)
• Authors of publication: Rodríguez de Luna, Sara Luisa; Elizondo, Perla; Bernès, Sylvain; Flores-Alamo, Marcos; López, Leyda E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1239 - m1240
• a: 7.7552 ± 0.0003 Å
• b: 16.1249 ± 0.0008 Å
• c: 17.7178 ± 0.0007 Å
• α: 75.531 ± 0.004°
• β: 85.173 ± 0.003°
• γ: 88.398 ± 0.004°
• Cell volume: 2137.71 ± 0.16 ų
• Cell temperature: 136 ± 2 K
• Ambient diffraction temperature: 136 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes