Information card for entry 4332339

Structure parameters

• Common name: [Sm2(4-cba)6(phen)2(H2O)2]
• Chemical name: [Sm2(4-cba)6(phen)2(H2O)2]
• Formula: C72 H44 N10 O14 Sm2
• Calculated formula: C72 H44 N10 O14 Sm2
• SMILES: c1ccc2ccc3ccc[n]4[Sm]567([n]1c2c34)(OC(=O)c1ccc(cc1)C#N)([OH2])[O]=C(O[Sm]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)c1ccc(cc1)C#N)([OH2])([O]=C(O5)c1ccc(cc1)C#N)(OC(=[O]7)c1ccc(cc1)C#N)[O]=C(O6)c1ccc(cc1)C#N)c1ccc(C#N)cc1
• 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: 8.2827 ± 0.0008 Å
• b: 12.8027 ± 0.0011 Å
• c: 16.4241 ± 0.0015 Å
• α: 97.762 ± 0.002°
• β: 102.084 ± 0.004°
• γ: 99.682 ± 0.004°
• Cell volume: 1652.4 ± 0.3 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: 0.0438
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No