Information card for entry 4332336

Structure parameters

• Common name: [La2(4-cba)6(phen)2(H2O)6]
• Chemical name: [La2(4-cba)6(phen)2(H2O)6]
• Formula: C72 H52 La2 N10 O18
• Calculated formula: C72 H52 La2 N10 O18
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[La]14(OC(=O)c2ccc(C#N)cc2)([OH2])(OC(=O)c2ccc(cc2)C#N)([OH2])(OC(=O)c2ccc(cc2)C#N)[OH2][La]2([n]3cccc4ccc5ccc[n]2c5c34)(OC(=O)c2ccc(cc2)C#N)([OH2])(OC(=O)c2ccc(cc2)C#N)([OH2])(OC(=O)c2ccc(cc2)C#N)[OH2]1
• 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: 6.9971 ± 0.0001 Å
• b: 14.3386 ± 0.0001 Å
• c: 18.9494 ± 0.0002 Å
• α: 108.363 ± 0.008°
• β: 97.397 ± 0.007°
• γ: 103.89 ± 0.007°
• Cell volume: 1707.96 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0285
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0637
• 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