Information card for entry 4343437

Structure parameters

• Formula: C39 H32 B F15 Lu N3 O2
• Calculated formula: C39 H32 B F15 Lu N3 O2
• SMILES: [Lu]1234567([c]8(C(C9=[N]6C(C)(C)CO9)(C6=[N]7C(C)(C)CO6)C)[c]1(C)[c]2([c]3(C)[c]48C)C)(c1c(c(c(c(c1F)F)F)F)[F]5)NB(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• 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: 14.6532 ± 0.0009 Å
• b: 19.839 ± 0.0012 Å
• c: 13.6696 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3973.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No