Information card for entry 7102102

Structure parameters

• Formula: C50 H63 N2 O Sm
• Calculated formula: C50 H63 N2 O Sm
• SMILES: C12C(c5c6c1cccc6ccc5)=[N](c1c(cccc1C(C)C)C(C)C)[Sm]1567([c]3([c]1([c]5([c]6([c]73C)C)C)C)C)([N]=2c1c(cccc1C(C)C)C(C)C)[O]1CCCC1
• Title of publication: Synthesis and structures of 1,2-bis(imino)acenaphthene (BIAN) lanthanide complexes that involve the transfer of zero, one, or two electrons.
• Authors of publication: Vasudevan, Kalyan; Cowley, Alan H
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 33
• Pages of publication: 3464 - 3466
• a: 10.856 ± 0.005 Å
• b: 20.426 ± 0.005 Å
• c: 20.153 ± 0.005 Å
• α: 90°
• β: 103.851 ± 0.005°
• γ: 90°
• Cell volume: 4339 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No