Information card for entry 7112889

Structure parameters

• Formula: C57 H87 Gd Mn4 N2 O24
• Calculated formula: C57 H87 Gd Mn4 N2 O24
• SMILES: C1C[O]2[Gd]345678[N]91CC[O]5[Mn]15([O]8CC[N]4(CC[O]7[Mn]47([O]6CC9)(OC(=CC(C)=[O]4)C)OC(=CC(C)=[O]7)C)CC[O]3[Mn]342(OC(=CC(C)=[O]4)C)OC(=CC(C)=[O]3)C)(OC(=CC(C)=[O]1)C)OC(=CC(C)=[O]5)C.C1=C(O[Mn]23([O]=C1C)(OC(=CC(=[O]2)C)C)[O]=C(C=C(O3)C)C)C
• 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: 15.9802 ± 0.0003 Å
• b: 15.9802 ± 0.0003 Å
• c: 15.4016 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3406.13 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No