Information card for entry 1568048

Structure parameters

• Chemical name: [{Nd(Cp'')2(uI)}2]
• Formula: C44 H84 I2 Nd2 Si8
• Calculated formula: C44 H84 I2 Nd2 Si8
• Title of publication: Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.
• Authors of publication: Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 621 - 634
• a: 10.7367 ± 0.0003 Å
• b: 11.5169 ± 0.0003 Å
• c: 13.3589 ± 0.0004 Å
• α: 73.257 ± 0.003°
• β: 83.329 ± 0.002°
• γ: 78.423 ± 0.002°
• Cell volume: 1546.66 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No