Information card for entry 2012216

Structure parameters

• Chemical name: tetrakis(μ-2,3-dimethoxybenzoato)-κ^4^O:O';κ^6^O,O':O'- bis[(2,2'-bipyridine-N,N')(2,3-dimethoxybenzoato-O,O')lanthanum(III)]
• Formula: C74 H70 La2 N4 O24
• Calculated formula: C74 H70 La2 N4 O24
• SMILES: c1c2c3cccc[n]3[La]34567([n]2ccc1)([O]=C(c1c(OC)c(ccc1)OC)O3)[O]=C(c1c(c(ccc1)OC)OC)O[La]123([n]8ccccc8c8cccc[n]18)([O]=C(c1c(c(ccc1)OC)OC)O2)(OC(c1c(c(ccc1)OC)OC)=[O]4)([O]=C(c1c(c(ccc1)OC)OC)[O]73)[O]6C(c1c(c(ccc1)OC)OC)=[O]5
• Title of publication: Tetrakis(μ-2,3-dimethoxybenzoato)bis[(2,2'-bipyridine)(2,3-dimethoxybenzoato)lanthanum(III)]
• Authors of publication: Zou, Ying-Quan; Li, Xia; Li, Yan; Hu, Huai-Ming
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1048 - 1050
• a: 11.0203 ± 0.0011 Å
• b: 12.239 ± 0.0013 Å
• c: 15.354 ± 0.0015 Å
• α: 66.785 ± 0.007°
• β: 83.551 ± 0.005°
• γ: 72.854 ± 0.008°
• Cell volume: 1818.6 ± 0.3 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: 0.037
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes