Information card for entry 7122029

Structure parameters

• Chemical name: [Y(Cpttt)2(BH4)]
• Formula: C34 H62 B Y
• Calculated formula: C34 H62 B Y
• Title of publication: Terbocenium: completing a heavy lanthanide metallocenium cation family with an alternative anion abstraction strategy.
• Authors of publication: Goodwin, Conrad A. P.; Reta, Daniel; Ortu, Fabrizio; Liu, Jingjing; Chilton, Nicholas F.; Mills, David P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 66
• Pages of publication: 9182 - 9185
• a: 10.3453 ± 0.0005 Å
• b: 15.6331 ± 0.0009 Å
• c: 20.5613 ± 0.0011 Å
• α: 90°
• β: 99.312 ± 0.005°
• γ: 90°
• Cell volume: 3281.5 ± 0.3 ų
• Cell temperature: 150 ± 0.3 K
• Ambient diffraction temperature: 150 ± 0.3 K
• Number of distinct elements: 4
• 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: 0.1335
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2304
• Weighted residual factors for all reflections included in the refinement: 0.2756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No