Information card for entry 4301751

Structure parameters

• Formula: C88 H120 Br2 N4 O8 Yb2
• Calculated formula: C88 H120 Br2 N4 O8 Yb2
• SMILES: [N]1(c2c(cccc2C(C)C)C(C)C)[Yb]23([Br][Yb]45([N](=C6C(c7c8c6cccc8ccc7)=[N]4c4c(cccc4C(C)C)C(C)C)c4c(cccc4C(C)C)C(C)C)([Br]2)[O](C)CC[O]5C)([N](=C2C=1c1cccc4c1c2ccc4)c1c(cccc1C(C)C)C(C)C)[O](C)CC[O]3C.COCCOC.COCCOC
• Title of publication: Redox Isomerism in the Lanthanide Complex [(dpp-Bian)Yb(DME)(μ-Br)]2 (dpp-Bian = 1,2-Bis[(2,6-diisopropylphenyl)imino]acenaphthene)
• Authors of publication: Igor L. Fedushkin; Olga V. Maslova; Eugeny V. Baranov; Andrei S. Shavyrin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2355 - 2357
• a: 11.7726 ± 0.0009 Å
• b: 14.0198 ± 0.0011 Å
• c: 14.8144 ± 0.0012 Å
• α: 63.711 ± 0.001°
• β: 84.042 ± 0.002°
• γ: 75.145 ± 0.002°
• Cell volume: 2118.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1919
• Weighted residual factors for all reflections included in the refinement: 0.2017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No