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Information card for entry 2232909
Preview
| Coordinates | 2232909.cif |
|---|---|
| Structure factors | 2232909.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ- 4-sulfonatobenzotriazolido-κ^3^<i>N</i>^3^,<i>O</i>:<i>N</i>^1^] |
|---|---|
| Formula | C18 H11 N5 O3 S Zn |
| Calculated formula | C18 H11 N5 O3 S Zn |
| SMILES | [Zn]12([n]3c4c(ccc3)ccc3ccc[n]1c43)(n1nnc3c1c(S(=O)(=O)O2)ccc3)[n]1nn2[Zn]3([n]4c5c(ccc4)ccc4ccc[n]3c54)OS(=O)(=O)c3cccc1c23 |
| Title of publication | <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-4-sulfonatobenzotriazolido-κ^3^<i>N</i>^3^,<i>O</i>:<i>N</i>^1^] |
| Authors of publication | Cheng, Xiao-Chun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1758 |
| a | 14.5562 ± 0.0019 Å |
| b | 25.903 ± 0.003 Å |
| c | 8.9239 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3364.7 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.1472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181251 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/29. |
2232909.cif 2232909.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232909.cif 2232909.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232909.cif 2232909.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232909.cif 2232909.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232909.cif 2232909.hkl |
| 31793 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232909 via cif-deposit CGI script. |
2232909.cif |
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Users of the data should acknowledge the original authors of the
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