Information card for entry 4332338

Structure parameters

• Common name: [Nd2(4-cba)6(phen)2(H2O)2]
• Chemical name: [Nd2(4-cba)6(phen)2(H2O)2]
• Formula: C72 H44 N10 Nd2 O14
• Calculated formula: C72 H44 N10 Nd2 O14
• SMILES: c1ccc2c3[n]1[Nd]145([n]6cccc(c36)cc2)(OC(=O)c2ccc(cc2)C#N)([O]=C(O[Nd]2([O]=C(O1)c1ccc(cc1)C#N)([n]1cccc3ccc6ccc[n]2c6c13)(OC(=O)c1ccc(cc1)C#N)([OH2])(OC(=[O]4)c1ccc(cc1)C#N)[O]=C(O5)c1ccc(cc1)C#N)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: 8.297 ± 0.005 Å
• b: 12.813 ± 0.007 Å
• c: 16.426 ± 0.009 Å
• α: 97.527 ± 0.004°
• β: 102.014 ± 0.007°
• γ: 99.572 ± 0.006°
• Cell volume: 1659.2 ± 1.6 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: 0.0454
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No