Information card for entry 4117971

Structure parameters

• Formula: C36 H63 Er K O6 Si3
• Calculated formula: C36 H63 Er K O6 Si3
• SMILES: [Er]123456789%10%11%12([cH]%13[cH]1[cH]2[cH]3[c]4%13[Si](C)(C)C)([cH]1[c]8([Si](C)(C)C)[cH]7[cH]6[cH]51)[cH]1[c]%12([Si](C)(C)C)[cH]9[cH]%10[cH]%111.[K]12345[O]6CC[O]4CC[O]5CC[O]1CC[O]2CC[O]3CC6
• Title of publication: Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)
• Authors of publication: Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 8420 - 8423
• a: 11.2622 ± 0.0006 Å
• b: 16.9412 ± 0.001 Å
• c: 22.451 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4283.5 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0157
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No