Information card for entry 2022191

Structure parameters

• Chemical name: Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)neodymium(III)]
• Formula: C27 H25 N2 Nd O10
• Calculated formula: C27 H25 N2 Nd O10
• Title of publication: A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties
• Authors of publication: Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• a: 10.8669 ± 0.0014 Å
• b: 11.1173 ± 0.0014 Å
• c: 12.4442 ± 0.0015 Å
• α: 102.564 ± 0.003°
• β: 101.643 ± 0.003°
• γ: 100.661 ± 0.003°
• Cell volume: 1395.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes