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Information card for entry 7705687
Preview
Coordinates | 7705687.cif |
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Original paper (by DOI) | HTML |
Formula | C116 H151 Gd Mn2 N7 O16 |
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Calculated formula | C116 H149 Gd Mn2 N7 O16 |
Title of publication | Magneto-structural studies of an unusual [Mn<sup>III</sup>Mn<sup>II</sup>Gd<sup>III</sup>(OR)<sub>4</sub>]<sup>4-</sup> partial cubane from 2,2'-bis-<i>p</i>-<sup> <i>t</i> </sup>Bu-calix[4]arene. |
Authors of publication | Coletta, Marco; Sanz, Sergio; Cutler, Daniel J.; Teat, Simon J.; Gagnon, Kevin J.; Singh, Mukesh K.; Brechin, Euan K.; Dalgarno, Scott J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 42 |
Pages of publication | 14790 - 14797 |
a | 23.2275 ± 0.0008 Å |
b | 23.2275 ± 0.0008 Å |
c | 44.2459 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 23871.4 ± 1.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 6 |
Space group number | 92 |
Hermann-Mauguin space group symbol | P 41 21 2 |
Hall space group symbol | P 4abw 2nw |
Residual factor for all reflections | 0.0844 |
Residual factor for significantly intense reflections | 0.0653 |
Weighted residual factors for significantly intense reflections | 0.151 |
Weighted residual factors for all reflections included in the refinement | 0.1718 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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258814 (current) | 2020-11-06 | cif/ Updating files of 7705687 Original log message: Adding full bibliography for 7705687.cif. |
7705687.cif |
258410 | 2020-10-15 | cif/ Adding structures of 7705687 via cif-deposit CGI script. |
7705687.cif |
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Users of the data should acknowledge the original authors of the
structural data.