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Information card for entry 7707658
Preview
Coordinates | 7707658.cif |
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Original paper (by DOI) | HTML |
Formula | C68 H79.5 F3.5 Mg N2 O |
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Calculated formula | C68 H79.5 F3.5 Mg N2 O |
Title of publication | C-H and C-F coordination of arenes in neutral alkaline earth metal complexes. |
Authors of publication | McMullen, Jacob S.; Edwards, Alison J.; Hicks, Jamie |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 25 |
Pages of publication | 8685 - 8689 |
a | 24.1012 ± 0.0014 Å |
b | 19.773 ± 0.0011 Å |
c | 26.1381 ± 0.0016 Å |
α | 90° |
β | 104.791 ± 0.006° |
γ | 90° |
Cell volume | 12043.4 ± 1.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.1364 |
Residual factor for significantly intense reflections | 0.1072 |
Weighted residual factors for significantly intense reflections | 0.3045 |
Weighted residual factors for all reflections included in the refinement | 0.3348 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
267175 (current) | 2021-07-05 | cif/ Updating files of 7707658, 7707659, 7707660, 7707661, 7707662, 7707663, 7707664 Original log message: Adding full bibliography for 7707658--7707664.cif. |
7707658.cif |
266454 | 2021-06-15 | cif/ Adding structures of 7707658, 7707659, 7707660, 7707661, 7707662, 7707663, 7707664 via cif-deposit CGI script. |
7707658.cif |
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Users of the data should acknowledge the original authors of the
structural data.