Information card for entry 7702341

Structure parameters

• Formula: C18 H38 Gd N11 O13
• Calculated formula: C18 H34 Gd N11 O13
• Title of publication: A gadolinium cryptate with two coordinated water molecules
• Authors of publication: Bligh, S. W. Annie; Drew, Michael G. B.; Martin, Noreen; Maubert, Beatrice; Nelson, Jane
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 22
• Pages of publication: 3711
• a: 15.798 ± 0.012 Å
• b: 14.1 ± 0.012 Å
• c: 13.736 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3060 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No