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Information card for entry 2240396
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| Coordinates | 2240396.cif |
|---|---|
| Structure factors | 2240396.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Chlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)manganese(III) 2-aminopyridine disolvate |
|---|---|
| Formula | C54 H40 Cl Mn N8 |
| Calculated formula | C54 H40 Cl Mn N8 |
| SMILES | [Mn]123(Cl)n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1.Nc1ncccc1.Nc1ncccc1 |
| Title of publication | Crystal structure of chlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)manganese(III) 2-aminopyridine disolvate |
| Authors of publication | Harhouri, Wafa; Dhifaoui, Salma; Najmudin, Shabir; Bonifácio, Cecilia; Nasri, Habib |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 165 - 167 |
| a | 9.9617 ± 0.0004 Å |
| b | 12.1247 ± 0.0006 Å |
| c | 18.91 ± 0.0009 Å |
| α | 92.441 ± 0.003° |
| β | 94.699 ± 0.002° |
| γ | 108.186 ± 0.002° |
| Cell volume | 2157.01 ± 0.17 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 | 0.0576 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.0974 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240396.cif 2240396.hkl |
| 181323 | 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 2/24/03. |
2240396.cif 2240396.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. |
2240396.cif 2240396.hkl |
| 129973 | 2015-01-18 | cif/ hkl/ Adding structures of 2240396 via cif-deposit CGI script. |
2240396.cif 2240396.hkl |
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Users of the data should acknowledge the original authors of the
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