Information card for entry 7112891

Structure parameters

• Formula: C42 H66 Fe3 Gd N2 O18
• Calculated formula: C42 H66 Fe3 Gd N2 O18
• SMILES: [Gd]1234567[O]8[Fe]9%10(OC(=CC(=[O]9)C)C)([O]=C(C)C=C(O%10)C)[O]1CC[N]16CC[O]5[Fe]56([O]=C(C=C(O5)C)C)(OC(=CC(=[O]6)C)C)[O]4CC[N]7(CC8)CC[O]2[Fe]24([O]=C(C=C(O2)C)C)([O]=C(C=C(O4)C)C)[O]3CC1
• Title of publication: Synthesis, structural and magnetic studies of an isostructural family of mixed 3d/4f tetranuclear 'star' clusters.
• Authors of publication: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Murray, Keith S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 41
• Pages of publication: 7787 - 7789
• a: 10.9299 ± 0.0003 Å
• b: 15.2338 ± 0.0005 Å
• c: 15.934 ± 0.0007 Å
• α: 80.298 ± 0.001°
• β: 82.347 ± 0.001°
• γ: 82.567 ± 0.003°
• Cell volume: 2576.26 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No