Information card for entry 4119400

Structure parameters

• Formula: C42 H72 Gd2 Si6
• Calculated formula: C42 H72 Gd2 Si6
• SMILES: [C]12(=[CH]3[Gd]456789%10%11%12%13%14%152([CH](=[CH]8[C]7(=[CH]36)[Si](C)(C)C)[CH]4=[CH]15)[CH]12=[CH]39[C]%11(=[CH]4%12[CH]5%13=[CH]6%14[CH]7%15=[C]%1018[Si](C)(C)C)([Gd]19%10%11%12%13%142345678[C]2(=[CH]1[CH]%10=[C]%11([CH]%12=[CH]%13[CH]%14=[CH]92)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
• Title of publication: An Organometallic Building Block Approach To Produce a Multidecker 4f Single-Molecule Magnet
• Authors of publication: Jennifer J. Le Roy; Matthew Jeletic; Serge I. Gorelsky; Ilia Korobkov; Liviu Ungur; Liviu F. Chibotaru; Muralee Murugesu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 3502 - 3510
• a: 16.9774 ± 0.0004 Å
• b: 16.9774 ± 0.0004 Å
• c: 20.0097 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5767.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No