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Information card for entry 7113382
Preview
Coordinates | 7113382.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H61 Mg N4 Na |
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Calculated formula | C28 H61 Mg N4 Na |
SMILES | [Mg]1([N]2(C(CCCC2(C)C)(C)C)[Na]2([N](CC[N]2(C)C)(C)C)[CH2]1CCC)N1C(CCCC1(C)C)(C)C |
Title of publication | Isolation and characterisation of the mixed-metal alkyl amide [(TMEDA)Na(mu-Bu)(mu-TMP)Mg(TMP)], an unexpected chelate-trapped intermediate in the formation of inverse crowns. |
Authors of publication | Hevia, Eva; Gallagher, Daniel J.; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Talmard, Christine |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2004 |
Journal issue | 21 |
Pages of publication | 2422 - 2423 |
a | 10.2664 ± 0.0006 Å |
b | 10.9478 ± 0.0007 Å |
c | 15.3294 ± 0.0008 Å |
α | 97.037 ± 0.003° |
β | 106.436 ± 0.004° |
γ | 96.617 ± 0.002° |
Cell volume | 1619.62 ± 0.17 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0719 |
Residual factor for significantly intense reflections | 0.0601 |
Weighted residual factors for significantly intense reflections | 0.1622 |
Weighted residual factors for all reflections included in the refinement | 0.1734 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7113382.html
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