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Information card for entry 7024040
Preview
| Coordinates | 7024040.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H9 N2 Na |
|---|---|
| Calculated formula | C11 H9 N2 Na |
| SMILES | [Na+].[n-]1c(ccc1)/C=N/c1ccccc1 |
| Title of publication | Sodium complexes containing 2-iminopyrrolyl ligands: the influence of steric hindrance in the formation of coordination polymers. |
| Authors of publication | Gomes, Clara S. B.; Suresh, D.; Gomes, Pedro T.; Veiros, Luis F.; Duarte, M. Teresa; Nunes, Teresa G.; Oliveira, M Conceição |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 3 |
| Pages of publication | 736 - 748 |
| a | 10.1739 ± 0.0015 Å |
| b | 10.0052 ± 0.0014 Å |
| c | 19.371 ± 0.003 Å |
| α | 90° |
| β | 94.439 ± 0.009° |
| γ | 90° |
| Cell volume | 1965.9 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1179 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1047 |
| Weighted residual factors for all reflections included in the refinement | 0.1223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183806 (current) | 2016-06-20 | cif/4-7: Fixing some wrong Z values. |
7024040.cif |
| 179945 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/40. |
7024040.cif |
| 92044 | 2014-01-12 | cif/ Adding structures of 7024037, 7024038, 7024039, 7024040, 7024041 via cif-deposit CGI script. |
7024040.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.