Information card for entry 7203848

Structure parameters

• Formula: C28 H60 Cl3 Gd N8 O20
• Calculated formula: C28 H52 Cl3 Gd N8 O20
• Title of publication: Solvation structure of lanthanide(iii) ions in solvent mixtures of N,N-dimethylformamide and N,N-dimethylacetamide studied by titration Raman spectroscopy
• Authors of publication: Umebayashi, Yasuhiro; Matsumoto, Kai; Mekata, Isamu; Ishiguro, Shin-ichi
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 22
• Pages of publication: 5599 - 5605
• a: 15.501 ± 0.004 Å
• b: 15.497 ± 0.008 Å
• c: 10.428 ± 0.003 Å
• α: 89.99 ± 0.04°
• β: 90.02 ± 0.02°
• γ: 90 ± 0.03°
• Cell volume: 2505 ± 1.6 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 90
• Hermann-Mauguin space group symbol: P 4 21 2
• Hall space group symbol: P 4ab 2ab
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No