Information card for entry 7105981

Structure parameters

• Formula: C22 H28 Dy N3 Ni O13 S2
• Calculated formula: C22 H24 Dy N3 Ni O13 S2
• Title of publication: Salen-based metal–organic frameworks of nickel and the lanthanides
• Authors of publication: Peter Roesky; Asamanjoy Bhunia; Yanhua Lan; Annie Powell; Sven Kureti
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2035
• a: 7.5226 ± 0.0015 Å
• b: 22.668 ± 0.005 Å
• c: 17.349 ± 0.004 Å
• α: 90°
• β: 95.88 ± 0.03°
• γ: 90°
• Cell volume: 2942.8 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0838
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No