Information card for entry 2204180

Structure parameters

• Chemical name: Bis(μ-N-acetyl-N-phenylglycinato-κ^2^O:O')bis[triaqua(1,10-phenanthroline- κ^2^N,N')lanthanum(III)] bis(μ-N-acetyl-N-phenylglycinate) dinitrate dihydrate
• Formula: C88 H88 La2 N14 O26
• Calculated formula: C88 H88 La2 N14 O26
• SMILES: [n]12[La]34([n]5cccc6c5c5[n]3cccc5cc6)(OC(=O)CN(C(C)=[O][La]35([n]6c7c8[n]3cccc8ccc7ccc6)([n]3cccc6c3c3[n]5cccc3cc6)(OC(=O)CN(C(C)=[O]4)c3ccccc3)([OH2])([OH2])[OH2])c3ccccc3)([OH2])([OH2])([OH2])[n]3cccc4c3c1c(ccc2)cc4.N(CC(=O)[O-])(C(=O)C)c1ccccc1.N(=O)(=O)[O-].O.N(CC(=O)[O-])(C(=O)C)c1ccccc1.N(=O)(=O)[O-].O
• Title of publication: Bis(μ-<i>N</i>-acetyl-<i>N</i>-phenylglycinato-κ^2^<i>O</i>:<i>O</i>')bis[triaqua(1,10-phenanthroline-κ^2^<i>N,N</i>')lanthanum(III)] bis(<i>N</i>-acetyl-<i>N</i>-phenylglycinate) dinitrate dihydrate
• Authors of publication: Fu, Ai-Yun; Wang, Da-Qi; Shen, Qing-Jun; Zhang, Cui-Lan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1337 - m1339
• a: 11.4722 ± 0.0019 Å
• b: 14.271 ± 0.002 Å
• c: 14.986 ± 0.002 Å
• α: 66.966 ± 0.002°
• β: 86.448 ± 0.002°
• γ: 79.303 ± 0.002°
• Cell volume: 2218.5 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes