Information card for entry 4343435

Structure parameters

• Formula: C35 H45 Lu N2 O2
• Calculated formula: C35 H45 Lu N2 O2
• SMILES: [Lu]12345([c]6(C(C7=[N]5C(C)(C)CO7)(C5=NC(C)(C)CO5)C)[c]1([c]2(C)[c]3([c]46C)C)C)(Cc1ccccc1)Cc1ccccc1
• 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: 9.0519 ± 0.0014 Å
• b: 25.534 ± 0.004 Å
• c: 13.824 ± 0.002 Å
• α: 90°
• β: 98.129 ± 0.002°
• γ: 90°
• Cell volume: 3163.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No