Information card for entry 2013233

Structure parameters

• Chemical name: Tetra-μ-α-alanine-bis[tetraaquagadolinium(III)] hexaperchlorate
• Formula: C12 H44 Cl6 Gd2 N4 O40
• Calculated formula: C12 Cl6 Gd2 N4 O40
• Title of publication: Tetra-μ-α-alanine-bis[tetraaquagadolinium(III)] hexaperchlorate
• Authors of publication: Jinping Wang; Ninghai Hu; Kuiyue Yang; Haiyuan Zhang; Chunji Niu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: m52 - m54
• a: 11.057 ± 0.002 Å
• b: 11.0584 ± 0.0018 Å
• c: 11.339 ± 0.003 Å
• α: 78.42 ± 0.018°
• β: 64.689 ± 0.016°
• γ: 65.696 ± 0.016°
• Cell volume: 1141.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes