Information card for entry 2235501

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')lanthanum(III)]-μ-(5-bromo-2-hydroxybenzoato)- κ^2^<i>O</i>^1^:<i>O</i>^1'^-di-μ-chlorido]
• Formula: C19 H12 Br Cl2 La N2 O3
• Calculated formula: C19 H12 Br Cl2 La N2 O3
• SMILES: [La]123(Cl)(Cl)([Cl][La]4([Cl]1)([n]1cccc5ccc6ccc[n]4c6c15)OC(=[O]3)c1c(O)ccc(Br)c1)([n]1cccc3ccc4ccc[n]2c4c13)OC(=O)c1c(O)ccc(Br)c1
• Title of publication: <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lanthanum(III)]-μ-(5-bromo-2-hydroxybenzoato)-κ^2^<i>O</i>^1^:<i>O</i>^1'^-di-μ-chlorido]
• Authors of publication: Zhu, Wen-Qing; Wang, Jin-Ping; Yuan, Yu-Kun; Li, Zhuo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m896
• a: 8.2957 ± 0.001 Å
• b: 22.104 ± 0.003 Å
• c: 22.11 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4054.3 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes