Information card for entry 7047014

Structure parameters

• Formula: C8 H11 Nd O11 S
• Calculated formula: C8 H11 Nd O11 S
• Title of publication: Synthesis of glycerol carbonate over a 2D coordination polymer built with Nd³⁺ ions and organic ligands.
• Authors of publication: Franco, Chris H. J.; Chagas, Poliane; Caldeira, Gabriela S.; Oliveira, Luiz C. A.; de Souza, Patterson P.; Leitão, Alexandre A; Amarante, Giovanni W.; Diniz, Renata
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 10976 - 10988
• a: 7.3216 ± 0.0005 Å
• b: 16.6789 ± 0.0009 Å
• c: 10.443 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1275.26 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No