Information card for entry 7109856

Structure parameters

• Common name: ROM2219
• Formula: C26.44 H34.38 Gd0.75 N1.06 O5.38
• Calculated formula: C26.405 H35 Gd0.75 N1.03 O5.315
• Title of publication: A bis-phenolate for the construction of linear lanthanide trimers
• Authors of publication: Ross McLellan; Maria A. Palacios; Christine M. Beavers; Simon J. Teat; Euan K. Brechin; Scott J. Dalgarno
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9552
• a: 15.9607 ± 0.0009 Å
• b: 17.0196 ± 0.001 Å
• c: 19.2424 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5227.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 48
• Hermann-Mauguin space group symbol: P n n n :2
• Hall space group symbol: -P 2ab 2bc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No