Information card for entry 7049065

Structure parameters

• Formula: C3 H18 F9 Gd O18 S3
• Calculated formula: C3 H18 F9 Gd O18 S3
• Title of publication: Structural and thermodynamic aspects of hydration of Gd(iii) systems.
• Authors of publication: Janicki, Rafał; Mondry, Anna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 3380 - 3391
• a: 13.811 ± 0.003 Å
• b: 13.811 ± 0.003 Å
• c: 7.338 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1212.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No