Information card for entry 7049073

Structure parameters

• Formula: C15 H32 Gd N5 O13
• Calculated formula: C15 H32 Gd N5 O13
• 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: 16.842 ± 0.002 Å
• b: 9.267 ± 0.001 Å
• c: 16.89 ± 0.002 Å
• α: 90°
• β: 119.87 ± 0.02°
• γ: 90°
• Cell volume: 2285.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No