Information card for entry 2220530

Structure parameters

• Chemical name: Bis(μ-<i>N</i>-acetyl-<i>N</i>-phenylglycinato- κ^2^<i>O</i>:<i>O</i>')bis[dinitrato-κ^4^<i>O</i>,<i>O</i>'-bis(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')lanthanum(III)]
• Formula: C68 H52 La2 N14 O18
• Calculated formula: C68 H52 La2 N14 O18
• SMILES: c1ccc(cc1)N(C[C]1=[O][La]2345([n]6cccc7c6c6[n]3cccc6cc7)([n]3cccc6c3c3[n]2cccc3cc6)(ON(=[O]4)=O)(OC(CN(C(=O)C)c2ccccc2)=[O][La]2346([n]7cccc8c7c7[n]2cccc7cc8)([n]2cccc7c2c2[n]3cccc2cc7)(O1)(ON(=[O]4)=O)ON(=[O]6)=O)ON(=[O]5)=O)C(=O)C
• Title of publication: Bis(μ-<i>N</i>-acetyl-<i>N</i>-phenylglycinato-κ^2^<i>O</i>:<i>O</i>')bis[dinitrato-κ^4^<i>O</i>,<i>O</i>'-bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lanthanum(III)]
• Authors of publication: Gao, Xiaonan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m59
• a: 14.0891 ± 0.0007 Å
• b: 13.761 ± 0.0007 Å
• c: 16.9962 ± 0.0009 Å
• α: 90°
• β: 100.121 ± 0.001°
• γ: 90°
• Cell volume: 3243.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes