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Information card for entry 7037139
Preview
| Coordinates | 7037139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H102 Mg2 N2 O4 |
|---|---|
| Calculated formula | C102 H102 Mg2 N2 O4 |
| SMILES | [C@@]1(C(=[N]2c3c(cccc3C(C)C)C(C)C)c3c4c1cccc4ccc3)([O]1[Mg]2([O]2CCCC2)(C#Cc2ccccc2)[O]2[C@]3(C(c4c5c3cccc5ccc4)=[N](c3c(cccc3C(C)C)C(C)C)[Mg]12(C#Cc1ccccc1)[O]1CCCC1)C(=C)c1ccccc1)C(=C)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C |
| Title of publication | Addition of phenylacetylene to a magnesium complex of monoiminoacenaphtheneone (dpp-mian). |
| Authors of publication | Razborov, D. A.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 47 |
| Pages of publication | 20532 - 20541 |
| a | 10.83521 ± 0.00013 Å |
| b | 13.2253 ± 0.0002 Å |
| c | 15.70481 ± 0.00019 Å |
| α | 97.5746 ± 0.0012° |
| β | 99.7585 ± 0.001° |
| γ | 110.407 ± 0.0014° |
| Cell volume | 2033.84 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.044 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.1039 |
| Weighted residual factors for all reflections included in the refinement | 0.1079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7037139.cif |
| 171245 | 2015-12-09 | cif/ Updating files of 7037137, 7037138, 7037139, 7037140, 7037141, 7037142 Original log message: Adding full bibliography for 7037137--7037142.cif. |
7037139.cif |
| 170236 | 2015-11-12 | cif/ Adding structures of 7037137, 7037138, 7037139, 7037140, 7037141, 7037142 via cif-deposit CGI script. |
7037139.cif |
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Users of the data should acknowledge the original authors of the
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