Information card for entry 7049072

Structure parameters

• Formula: C15 H32 Gd N7 O13
• Calculated formula: C15 H32 Gd N7 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: 15.505 ± 0.003 Å
• b: 17.707 ± 0.003 Å
• c: 17.389 ± 0.003 Å
• α: 90°
• β: 91.97 ± 0.02°
• γ: 90°
• Cell volume: 4771.3 ± 1.5 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: 0.0575
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No