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Information card for entry 7713778
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Coordinates | 7713778.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H14 Br N3 |
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Calculated formula | C19 H14 Br N3 |
Title of publication | Tuning the spin-crossover properties of FeII4L<sub>6</sub> cages <i>via</i> the interplay of coordination motif and linker modifications. |
Authors of publication | Paschelke, Tobias; Trumpf, Eicke; Grantz, David; Pankau, Malte; Grocholski, Niclas; Näther, Christian; Sönnichsen, Frank D; McConnell, Anna J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2023 |
a | 10.673 ± 0.0001 Å |
b | 11.4988 ± 0.0002 Å |
c | 12.9614 ± 0.0002 Å |
α | 73.8612 ± 0.001° |
β | 85.843 ± 0.001° |
γ | 87.8508 ± 0.001° |
Cell volume | 1523.75 ± 0.04 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0278 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.0761 |
Weighted residual factors for all reflections included in the refinement | 0.0764 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
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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The link is: https://www.crystallography.net/7713778.html
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structural data.