Information card for entry 4080279

Structure parameters

• Formula: C33 H45 Ho O3
• Calculated formula: C33 H45 Ho O3
• SMILES: [Ho]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)(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: 17.2522 ± 0.0015 Å
• b: 20.797 ± 0.0018 Å
• c: 8.4068 ± 0.0007 Å
• α: 90°
• β: 93.279 ± 0.001°
• γ: 90°
• Cell volume: 3011.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.015
• Residual factor for significantly intense reflections: 0.0142
• Weighted residual factors for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No