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Information card for entry 2237265
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| Coordinates | 2237265.cif |
|---|---|
| Structure factors | 2237265.hkl |
| Original IUCr paper | HTML |
| Common name | aqua(4-cyanopyridine-κ<i>N</i>)(5,10,15,20-tetraphenylporphyrinato κ<i></i>^4^-<i>N</i>)magnesium |
|---|---|
| Chemical name | Aqua(4-cyanopyridine-κ<i>N</i>^4^)(5,10,15,20-tetraphenylporphyrinato- κ^4^<i>N</i>)magnesium |
| Formula | C50 H32 Mg N6 O |
| Calculated formula | C50 H32 Mg N6 O |
| Title of publication | Aqua(4-cyanopyridine-κ<i>N</i>^4^)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)magnesium |
| Authors of publication | Ezzayani, Khaireddine; Belkhiria, Mohamed Salah; Najmudin, Shabir; Bonifácio, Cecilia; Nasri, Habib |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m17 - m18 |
| a | 8.908 ± 0.0003 Å |
| b | 10.755 ± 0.0004 Å |
| c | 11.953 ± 0.0006 Å |
| α | 63.446 ± 0.001° |
| β | 89.364 ± 0.002° |
| γ | 73.408 ± 0.001° |
| Cell volume | 972.6 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0449 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.1031 |
| 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 |
|---|---|---|---|
| 181294 (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 2/23/72. |
2237265.cif 2237265.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2237265.cif 2237265.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237265.cif 2237265.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. | 2237265.cif 2237265.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237265.cif 2237265.hkl |
| 73497 | 2013-02-20 | cif/ Adding structures of 2237265 via cif-deposit CGI script. |
2237265.cif |
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Users of the data should acknowledge the original authors of the
structural data.