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Information card for entry 8101879
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| Coordinates | 8101879.cif |
|---|
| Chemical name | (1,10-phenanthroline)(N-p-tolylsulfonyl-serinato)copper(II) |
|---|---|
| Formula | C22 H19 Cu N3 O5 S |
| Calculated formula | C22 H19 Cu N3 O5 S |
| SMILES | [Cu]123([n]4cccc5ccc6ccc[n]3c6c45)OC(=O)[C@@H](N2S(=O)(=O)c2ccc(cc2)C)C[OH]1 |
| Title of publication | Crystal structure of (1,10-phenanthroline)(N-tosylserinato)copper (II), Cu(C~12~H~8~N~2~)(C~10~H~11~NO~5~S) |
| Authors of publication | Wang, J.-G.; Ma, L.-F.; Wang, L.-Y.; Wang, Y.-H.; Liu, R. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 4 |
| Pages of publication | 606 - 608 |
| a | 6.2202 ± 0.0007 Å |
| b | 9.416 ± 0.0011 Å |
| c | 10.3386 ± 0.0018 Å |
| α | 109.186 ± 0.002° |
| β | 105.136 ± 0.002° |
| γ | 103.455 ± 0.002° |
| Cell volume | 517.27 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0229 |
| Residual factor for significantly intense reflections | 0.0226 |
| Weighted residual factors for significantly intense reflections | 0.0591 |
| Weighted residual factors for all reflections included in the refinement | 0.0592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101879.cif |
| 107934 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101879.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101879.cif |
| 12618 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101879 via cif-deposit CGI script. |
8101879.cif |
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