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Information card for entry 1568048
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Coordinates | 1568048.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [{Nd(Cp'')2(uI)}2] |
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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 Å3 |
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 |
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