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Information card for entry 7031052
Preview
| Coordinates | 7031052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H124 Li4 N4 P4 |
|---|---|
| Calculated formula | C112 H124 Li4 N4 P4 |
| SMILES | P1([N]2([Li]3[C]45=P([N]3(c3c(cccc3C(C)C)C(C)C)[Li]2[C]2=1P(=[N]([Li][N]([Li]24)(=P5(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C |
| Title of publication | Syntheses, structures and flexible coordination of sterically demanding di- and "tri"-lithiated methandiides. |
| Authors of publication | Sindlinger, Christian P.; Stasch, Andreas |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 38 |
| Pages of publication | 14334 - 14345 |
| a | 14.535 ± 0.003 Å |
| b | 15.354 ± 0.003 Å |
| c | 20.933 ± 0.004 Å |
| α | 95.61 ± 0.03° |
| β | 90.64 ± 0.03° |
| γ | 93.36 ± 0.03° |
| Cell volume | 4640.6 ± 1.6 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 | 0.0714 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1235 |
| Weighted residual factors for all reflections included in the refinement | 0.1339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.7109 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180016 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/10. |
7031052.cif |
| 124703 | 2014-10-06 | cif/ Updating files of 7031052, 7031053, 7031054, 7031055, 7031056, 7031057, 7031058, 7031059, 7031060 Original log message: Adding full bibliography for 7031052--7031060.cif. |
7031052.cif |
| 114589 | 2014-05-28 | cif/ Adding structures of 7031052, 7031053, 7031054, 7031055, 7031056, 7031057, 7031058, 7031059, 7031060 via cif-deposit CGI script. |
7031052.cif |
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Users of the data should acknowledge the original authors of the
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