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Information card for entry 2240460
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| Coordinates | 2240460.cif |
|---|---|
| Structure factors | 2240460.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Diaqua[5,10,15,20-tetrakis(4‒bromophenyl)porphyrinato-κ^4^<i>N</i>]magnesium |
|---|---|
| Formula | C44 H28 Br4 Mg N4 O2 |
| Calculated formula | C44 H28 Br4 Mg N4 O2 |
| Title of publication | Crystal structure of diaqua[5,10,15,20-tetrakis(4-bromophenyl)porphyrinato-κ^4^<i>N</i>]magnesium |
| Authors of publication | Amiri, Nesrine; Nasri, Soumaya; Roisnel, Thierry; Simonneaux, Gérard; Nasri, Habib |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | m73 - m74 |
| a | 14.8313 ± 0.001 Å |
| b | 14.8313 Å |
| c | 9.3966 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2066.9 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 87 |
| Hermann-Mauguin space group symbol | I 4/m |
| Hall space group symbol | -I 4 |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.0732 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240460.cif 2240460.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240460.cif 2240460.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240460.cif 2240460.hkl |
| 132564 | 2015-02-28 | cif/ hkl/ Adding structures of 2240460 via cif-deposit CGI script. |
2240460.cif 2240460.hkl |
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Users of the data should acknowledge the original authors of the
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