Information card for entry 7102100

Structure parameters

• Formula: C53 H76 Eu N2
• Calculated formula: C47 H62 Eu N2
• SMILES: C12C(c3c4c1cccc4ccc3)=[N](C(C)(C)C)[Eu]3456789%10([c]1([c]6([c]5([c]4([c]31C)C)C)C)C)([c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)[N]=2C(C)(C)C.Cc1ccccc1
• 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: 10.25 ± 0.005 Å
• b: 18.436 ± 0.005 Å
• c: 23.258 ± 0.005 Å
• α: 90 ± 0.005°
• β: 94.739 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4380 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0712
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No