Information card for entry 1570788

Structure parameters

• Chemical name: Nd(Cptt)3
• Formula: C39 H63 Nd
• Calculated formula: C39 H63 Nd
• Title of publication: Metal-carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy.
• Authors of publication: Nodaraki, Lydia E.; Liu, Jingjing; Ariciu, Ana-Maria; Ortu, Fabrizio; Oakley, Meagan S.; Birnoschi, Letitia; Gransbury, Gemma K.; Cobb, Philip J.; Emerson-King, Jack; Chilton, Nicholas F.; Mills, David P.; McInnes, Eric J. L.; Tuna, Floriana
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3003 - 3010
• a: 10.7938 ± 0.0003 Å
• b: 19.4422 ± 0.0005 Å
• c: 17.8596 ± 0.0005 Å
• α: 90°
• β: 104.394 ± 0.003°
• γ: 90°
• Cell volume: 3630.28 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No