Information card for entry 4332337

Structure parameters

• Common name: [Pr2(4-cba)6(phen)2(H2O)2]
• Chemical name: [Pr2(4-cba)6(phen)2(H2O)2]
• Formula: C72 H44 N10 O14 Pr2
• Calculated formula: C72 H44 N10 O14 Pr2
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Pr]1234([O]=C(O[Pr]4([n]5cccc6ccc7ccc[n]4c7c56)([O]=C(O2)c2ccc(cc2)C#N)([OH2])(OC(=[O]3)c2ccc(cc2)C#N)([O]=C(O1)c1ccc(cc1)C#N)OC(=O)c1ccc(cc1)C#N)c1ccc(cc1)C#N)(OC(=O)c1ccc(cc1)C#N)[OH2]
• Title of publication: Crystal Structures and Magnetic and Luminescent Properties of a Series of Homodinuclear Lanthanide Complexes with 4-Cyanobenzoic Ligand
• Authors of publication: Li, Yan; Zheng, Fa-Kun; Liu, Xi; Zou, Wen-Qiang; Guo,; Lu, Can-Zhong; Huang, Jin-Shun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6308 - 6316
• a: 8.308 ± 0.002 Å
• b: 12.852 ± 0.004 Å
• c: 16.419 ± 0.005 Å
• α: 97.443 ± 0.004°
• β: 101.952 ± 0.004°
• γ: 99.497 ± 0.002°
• Cell volume: 1667.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0298
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No