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Information card for entry 7103619
Preview
| Coordinates | 7103619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Zn phthalocyanine coordination polymer |
|---|---|
| Chemical name | 1,4-Dibutoxy-2,3-di(pyridyl)-8,11,15,18,22,25-hexakis(hexyl)- phthalocyaninato zinc |
| Formula | C86 H110 N10 O2 Zn |
| Calculated formula | C86 H89.75 N10 O2 Zn |
| Title of publication | 1,4-dibutoxy-2,3-di(4-pyridyl)-8,11,15,18,22,25-hexakis(hexyl)- phthalocyaninato zinc, a self-assembled coordination polymer in the solid state. |
| Authors of publication | al-Raqa, Shaya Y; Cook, Michael J; Hughes, David L |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2003 |
| Journal issue | 1 |
| Pages of publication | 62 - 63 |
| a | 19.979 ± 0.004 Å |
| b | 27.995 ± 0.009 Å |
| c | 28.253 ± 0.008 Å |
| α | 98.52 ± 0.02° |
| β | 90.19 ± 0.01° |
| γ | 92.27 ± 0.02° |
| Cell volume | 15615 ± 7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 140 ± 1 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 | 0.216 |
| Residual factor for significantly intense reflections | 0.1461 |
| Weighted residual factors for significantly intense reflections | 0.3307 |
| Weighted residual factors for all reflections included in the refinement | 0.3456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.619 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7103619.cif |
| 180139 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/36. |
7103619.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7103619.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7103619.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7103619.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7103619.cif |
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