Information card for entry 4072366

Structure parameters

• Formula: C44 H41 Br2 Lu N4 O3
• Calculated formula: C44 H41 Br2 Lu N4 O3
• SMILES: [Lu]12([O]3CCCC3)(Br)(Br)=C3N(Cc4cccc(CN5C=CN(C=15)c1c(cc(cc1C)C)C)c24)C=CN3c1c(cc(cc1C)C)C.O1CCCC1.O1CCCC1
• Title of publication: Tridentate CCC-Pincer Bis(carbene)-Ligated Rare-Earth Metal Dibromides. Synthesis and Characterization
• Authors of publication: Lv, Kui; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 5438
• a: 12.5889 ± 0.0008 Å
• b: 13.6491 ± 0.0008 Å
• c: 15.9722 ± 0.001 Å
• α: 95.998 ± 0.001°
• β: 108.746 ± 0.001°
• γ: 108.725 ± 0.001°
• Cell volume: 2394.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No