Information card for entry 7045007

Structure parameters

• Formula: C21 H57 Er Si6
• Calculated formula: C21 H57 Er Si6
• SMILES: C([Si](C)(C)C)([Er](C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Low coordinated mononuclear erbium(iii) single-molecule magnets with C_3v symmetry: a method for altering single-molecule magnet properties by incorporating hard and soft donors.
• Authors of publication: Zhang, Haitao; Nakanishi, Ryo; Katoh, Keiichi; Breedlove, Brian K.; Kitagawa, Yasutaka; Yamashita, Masahiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 302 - 305
• a: 16.2788 ± 0.0003 Å
• b: 16.2788 ± 0.0003 Å
• c: 8.5882 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1970.96 ± 0.07 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No