Information card for entry 4343436

Structure parameters

• Formula: C76 H92 Lu2 N6 O4
• Calculated formula: C76 H92 Lu2 N6 O4
• SMILES: CC1(COC2=[N]1[Lu]13456(N(Cc7cccc8ccccc78)[Lu]89%10%11%12([N]7C(C)(C)COC=7C(C7=NC(C)(C)CO7)(C)[c]78[c]%12([c]%11([c]%10([c]97C)C)C)C)N6Cc6cccc7ccccc67)[c]6([c]5([c]4([c]3([c]16C)C)C)C)C2(C1=NC(C)(C)CO1)C)C.c1ccccc1.c1ccccc1
• Title of publication: Piano-Stool Lutetium Amido and Imido Compounds Supported by a Constrained Bis(oxazoline)cyclopentadienyl Ligand.
• Authors of publication: Lampland, Nicole L.; Zhu, Jing; Hovey, Megan; Jana, Barun; Ellern, Arkady; Sadow, Aaron D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6938 - 6946
• a: 30.0993 ± 0.0011 Å
• b: 30.0993 ± 0.0011 Å
• c: 20.4326 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16031.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No