Information card for entry 7037370

Structure parameters

• Formula: C22 H21 N2 Nd O11 S2
• Calculated formula: C22 H21 N2 Nd O11 S2
• Title of publication: Tuning the structure, dimensionality and luminescent properties of lanthanide metal-organic frameworks under ancillary ligand influence.
• Authors of publication: D'Vries, Richard F; Gomez, German E.; Hodak, José H; Soler-Illia, Galo J A A; Ellena, Javier
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 646 - 656
• a: 9.2648 ± 0.0003 Å
• b: 11.9499 ± 0.0003 Å
• c: 12.7485 ± 0.0005 Å
• α: 106.629 ± 0.002°
• β: 110.177 ± 0.002°
• γ: 99.313 ± 0.002°
• Cell volume: 1214.98 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No