Information card for entry 7037369

Structure parameters

• Formula: C22 H21 N2 O11 Pr S2
• Calculated formula: C22 H21 N2 O11 Pr 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: 9.2708 ± 0.0002 Å
• b: 11.9699 ± 0.0003 Å
• c: 12.7725 ± 0.0003 Å
• α: 106.589 ± 0.001°
• β: 110.161 ± 0.002°
• γ: 99.377 ± 0.001°
• Cell volume: 1220.16 ± 0.06 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: 0.0499
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No