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Information card for entry 7706991
Preview
Coordinates | 7706991.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H78 Cl4 N4 Ni4 O13 |
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Calculated formula | C42 H78 Cl4 N4 Ni4 O13 |
Title of publication | The structural manipulation of a series of Ni<sub>4</sub> defective dicubanes: Synthesis, X-ray Structures, Magnetic and Computational analyses. |
Authors of publication | Woodhouse, Sidney S.; Dais, Tyson N.; Payne, Emily H.; Singh, Mukesh K.; Brechin, Euan K.; Plieger, Paul G. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 15 |
Pages of publication | 5318 - 5326 |
a | 10.1613 ± 0.0011 Å |
b | 20.497 ± 0.002 Å |
c | 25.796 ± 0.003 Å |
α | 90° |
β | 91.181 ± 0.006° |
γ | 90° |
Cell volume | 5371.6 ± 1 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
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 | 0.2708 |
Residual factor for significantly intense reflections | 0.0941 |
Weighted residual factors for significantly intense reflections | 0.1953 |
Weighted residual factors for all reflections included in the refinement | 0.2527 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.863 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7706991.html
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