Information card for entry 2200209

Structure parameters

• Chemical name: Tetra-μ-benzoato-O:O'-bis[(benzoato-O,O')(1,10-phenanthroline-N,N')- lanthanum(III)]
• Formula: C66 H46 La2 N4 O12
• Calculated formula: C66 H46 La2 N4 O12
• SMILES: c1cc[n]2[La]34567([O]=C(O3)c3ccccc3)([n]3cccc8ccc1c2c38)[O]=C([O]4[La]123([n]4cccc8ccc9ccc[n]1c9c48)([O]=C([O]52)c1ccccc1)([O]=C(O7)c1ccccc1)(OC(=[O]6)c1ccccc1)[O]=C(O3)c1ccccc1)c1ccccc1
• Title of publication: Tetra-μ-benzoato-<i>O</i>:<i>O</i>'-bis[(benzoato-<i>O</i>,<i>O</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')lanthanum(III)]
• Authors of publication: Shi, Qian; Hu, Maolin; Cao, Rong; Liang, Yucang; Hong, Maochun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: m122 - m123
• a: 10.9356 ± 0.0002 Å
• b: 11.9818 ± 0.0002 Å
• c: 12.4945 ± 0.0003 Å
• α: 104.888 ± 0.001°
• β: 93.268 ± 0.001°
• γ: 113.402 ± 0.001°
• Cell volume: 1428.49 ± 0.05 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: 0.028
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes