Information card for entry 1562247

Structure parameters

• Formula: C11 H33 Cl2 N2 O16 Pr
• Calculated formula: C11 H31 Cl2 N2 O16 Pr
• Title of publication: Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties
• Authors of publication: Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2014
• Journal volume: 219
• Pages of publication: 265 - 273
• a: 10.0547 ± 0.0005 Å
• b: 23.4124 ± 0.0011 Å
• c: 10.088 ± 0.0005 Å
• α: 90°
• β: 91.386 ± 0.004°
• γ: 90°
• Cell volume: 2374.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No