Information card for entry 4115593

Structure parameters

• Formula: C107 H128 Cu10 Gd2 N20 O43
• Calculated formula: C107 H111 Cu10 Gd2 N20 O42.32
• Title of publication: Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions
• Authors of publication: Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 6211 - 6212
• a: 15.098 ± 0.003 Å
• b: 28.257 ± 0.006 Å
• c: 16.887 ± 0.003 Å
• α: 90°
• β: 102.185 ± 0.003°
• γ: 90°
• Cell volume: 7042 ± 2 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No