Information card for entry 4080280

Structure parameters

• Formula: C29 H37 Er O2
• Calculated formula: C29 H37 Er O2
• SMILES: [Er]([O]2CCCC2)([O]2CCCC2)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes
• Authors of publication: Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1379
• a: 7.6498 ± 0.0007 Å
• b: 12.7111 ± 0.0012 Å
• c: 14.1433 ± 0.0013 Å
• α: 75.066 ± 0.001°
• β: 77.776 ± 0.001°
• γ: 73.839 ± 0.001°
• Cell volume: 1261.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0194
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No