Information card for entry 1543857

Structure parameters

• Formula: C39 H95 Er2 K N4 O2 Si8
• Calculated formula: C39 H95 Er2 K N4 O2 Si8
• Title of publication: Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.
• Authors of publication: Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 231 - 240
• a: 20.1042 ± 0.0007 Å
• b: 18.7574 ± 0.0006 Å
• c: 16.5696 ± 0.0006 Å
• α: 90°
• β: 107.851 ± 0.0017°
• γ: 90°
• Cell volume: 5947.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No