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Information card for entry 2238371
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| Coordinates | 2238371.cif |
|---|---|
| Structure factors | 2238371.hkl |
| Original IUCr paper | HTML |
| Common name | (5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)zinc (18-crown-6) |
|---|---|
| Chemical name | (5,10,15,20-Tetraphenylporphyrinato-κ^4^<i>N</i>)zinc‒18-crown-6 (1/1) |
| Formula | C56 H52 N4 O6 Zn |
| Calculated formula | C56 H52 N4 O6 Zn |
| Title of publication | (5,10,15,20-Tetraphenylporphyrinato-κ^4^<i>N</i>)zinc‒18-crown-6 (1/1) |
| Authors of publication | Denden, Zouhour; Bel Haj Hassen, Leila; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | m444 - m445 |
| a | 10.217 ± 0.0003 Å |
| b | 11.119 ± 0.0004 Å |
| c | 11.8243 ± 0.0003 Å |
| α | 104.384 ± 0.003° |
| β | 105.912 ± 0.003° |
| γ | 108.096 ± 0.003° |
| Cell volume | 1143.23 ± 0.08 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.046 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (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 2/23/83. |
2238371.cif 2238371.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. |
2238371.cif 2238371.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238371.cif 2238371.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238371.cif 2238371.hkl |
| 88214 | 2013-09-04 | cif/ Adding structures of 2238371 via cif-deposit CGI script. |
2238371.cif |
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Users of the data should acknowledge the original authors of the
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