Information card for entry 7049068

Structure parameters

• Formula: C16 H33.2 Cl K2 Lu N4 O12.85
• Calculated formula: C16 H32.2 Cl K2 Lu N4 O12.6
• 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: 37.315 ± 0.002 Å
• b: 8.885 ± 0.002 Å
• c: 16.592 ± 0.002 Å
• α: 90°
• β: 111.12 ± 0.02°
• γ: 90°
• Cell volume: 5131.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No