Information card for entry 2236187

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')praseodymium(III)]-di-μ-4-hydroxybenzoato- κ^4^<i>O</i>^1^:<i>O</i>^1'^-μ-nitrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>] bis(1,10-phenanthroline)]
• Formula: C50 H34 N7 O9 Pr
• Calculated formula: C50 H34 N7 O9 Pr
• SMILES: [Pr]1234([O]=C(O[Pr]56([O]=C(O3)c3ccc(O)cc3)([O]=N([O]45)=O)[n]3cccc4ccc5ccc[n]6c5c34)c3ccc(O)cc3)(OC(=O)c3ccc(O)cc3)(OC(=O)c3ccc(O)cc3)(ON(=[O]1)=O)[n]1cccc3ccc4ccc[n]2c4c13.n1cccc2ccc3cccnc3c12.n1cccc2ccc3cccnc3c12.n1cccc2ccc3cccnc3c12.n1cccc2ccc3cccnc3c12
• Title of publication: <i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')praseodymium(III)]-di-μ-4-hydroxybenzoato-κ^4^<i>O</i>^1^:<i>O</i>^1'^-μ-nitrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>] bis(1,10-phenanthroline)]
• Authors of publication: Wang, Panfeng; Xu, Dingding; Wang, Xinqing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1148
• a: 21.5625 ± 0.0002 Å
• b: 23.4621 ± 0.0002 Å
• c: 8.603 ± 0.0001 Å
• α: 90°
• β: 98.899 ± 0.001°
• γ: 90°
• Cell volume: 4299.88 ± 0.07 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes