Information card for entry 2014139

Structure parameters

• Chemical name: Poly[[bis[aqua(1,10-phenanthroline)lanthanum(III)]-μ-aqua-di-μ-5- sulfonatoisophthalato] monohydrate]
• Formula: C40 H30 La2 N4 O18 S2
• Calculated formula: C40 H30 La2 N4 O18 S2
• Title of publication: Poly[[bis[aqua(1,10-phenanthroline)lanthanum(III)]-μ-aqua-di-μ-5-sulfonatoisophthalato] monohydrate] and poly[[[triaqualanthanum(III)]-μ-5-sulfonatoisophthalato] monohydrate]
• Authors of publication: Hu, Mao-Lin; Miao, Qian; Shi, Qian; Ye, Ming-De
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m460 - m464
• a: 10.1655 ± 0.0005 Å
• b: 15.156 ± 0.0007 Å
• c: 13.8914 ± 0.0006 Å
• α: 90°
• β: 108.302 ± 0.002°
• γ: 90°
• Cell volume: 2031.96 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.397
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes