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Information card for entry 2240034
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| Coordinates | 2240034.cif |
|---|---|
| Structure factors | 2240034.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>meso</i>-Tetrakis(4-nitrophenyl)porphyrin nitrobenzene disolvate |
|---|---|
| Formula | C56 H36 N10 O12 |
| Calculated formula | C56 H36 N10 O12 |
| Title of publication | Crystal structure of <i>meso</i>-tetrakis(4-nitrophenyl)porphyrin nitrobenzene disolvate |
| Authors of publication | Seredyuk, Maksym; Gumienna‒Kontecka, Elzbieta; Brzuszkiewicz, Anna; Iskenderov, Turganbay S.; Kalibabchuk, Valentina A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | o1147 - o1148 |
| a | 7.949 ± 0.004 Å |
| b | 10.134 ± 0.005 Å |
| c | 16.444 ± 0.008 Å |
| α | 105.43 ± 0.05° |
| β | 95.37 ± 0.04° |
| γ | 102.17 ± 0.04° |
| Cell volume | 1232.4 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1211 |
| Residual factor for significantly intense reflections | 0.0863 |
| Weighted residual factors for significantly intense reflections | 0.2503 |
| Weighted residual factors for all reflections included in the refinement | 0.2752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240034.cif 2240034.hkl |
| 181320 | 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 2/24/00. |
2240034.cif 2240034.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. |
2240034.cif 2240034.hkl |
| 124561 | 2014-10-05 | cif/ hkl/ Adding structures of 2240034 via cif-deposit CGI script. |
2240034.cif 2240034.hkl |
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Users of the data should acknowledge the original authors of the
structural data.