Information card for entry 2217327

Structure parameters

• Chemical name: Tetrakis(μ-anthracene-9-carboxylato)bis[(anthracene-9- carboxylato)(2,2'-bipyridyl)lanthanum(III)]
• Formula: C110 H70 La2 N4 O12
• Calculated formula: C110 H70 La2 N4 O12
• SMILES: C1(c2c3ccccc3cc3ccccc23)[O]2[La]34567([n]8c(c9[n]3cccc9)cccc8)([O]=C(c3c8ccccc8cc8ccccc38)O[La]382([O]=1)([n]1c(c2[n]3cccc2)cccc1)([O]=C(O4)c1c2ccccc2cc2ccccc12)([O]7C(c1c2ccccc2cc2ccccc12)=[O]6)[O]=C(O8)c1c2ccccc2cc2ccccc12)[O]=C(O5)c1c2c(cc3c1cccc3)cccc2
• Title of publication: Tetrakis(μ-anthracene-9-carboxylato)bis[(anthracene-9-carboxylato)(2,2'-bipyridyl)lanthanum(III)]
• Authors of publication: Chun-Sen Liu; Li-Fen Yan; Ze Chang; Jun-Jie Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m15 - m16
• a: 12.1038 ± 0.0007 Å
• b: 13.4887 ± 0.0008 Å
• c: 15.4568 ± 0.0014 Å
• α: 113.036 ± 0.004°
• β: 103.257 ± 0.004°
• γ: 102.913 ± 0.003°
• Cell volume: 2117.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0368
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes