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Information card for entry 7049722
Preview
Coordinates | 7049722.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H72 Mg N8 Na2 |
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Calculated formula | C32 H72 Mg N8 Na2 |
SMILES | C1CCCC[N]21[Na]1([N]3(CCCCC3)[Mg]32[N]2(CCCCC2)[Na]2([N](CC[N]2(C)C)(C)C)[N]23CCCCC2)[N](C)(C)CC[N]1(C)C |
Title of publication | Alkali metal and stoichiometric effects in intermolecular hydroamination catalysed by lithium, sodium and potassium magnesiates. |
Authors of publication | Davin, Laia; Hernán-Gómez, Alberto; McLaughlin, Calum; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 23 |
Pages of publication | 8122 - 8130 |
a | 10.476 ± 0.0014 Å |
b | 19.224 ± 0.002 Å |
c | 19.864 ± 0.002 Å |
α | 90° |
β | 93.733 ± 0.01° |
γ | 90° |
Cell volume | 3991.9 ± 0.8 Å3 |
Cell temperature | 123.6 K |
Ambient diffraction temperature | 123.6 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1366 |
Residual factor for significantly intense reflections | 0.0711 |
Weighted residual factors for significantly intense reflections | 0.171 |
Weighted residual factors for all reflections included in the refinement | 0.2205 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
224439 (current) | 2019-11-08 | cif/ Updating files of 7049721, 7049722 Original log message: Adding full bibliography for 7049721--7049722.cif. |
7049722.cif |
214659 | 2019-04-17 | cif/ Adding structures of 7049721, 7049722 via cif-deposit CGI script. |
7049722.cif |
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