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Information card for entry 2019735
Preview
| Coordinates | 2019735.cif |
|---|---|
| Structure factors | 2019735.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | [5,10-Dibromo-15,20-bis(4-methylphenyl)porphyrinato](methanol)zinc(II) |
|---|---|
| Formula | C35 H26 Br2 N4 O Zn |
| Calculated formula | C35 H25 Br2 N4 O Zn |
| SMILES | [Zn]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)Br)cc2)Br)cc3)c1ccc(cc1)C)cc6)c1ccc(cc1)C)OC |
| Title of publication | Structural investigation of 5,10-<i>A</i>~2~<i>B</i>~2~-type porphyrins: palladium(II) and zinc(II) complexes of 5,10-dibromo-15,20-bis(4-methylphenyl)porphyrin |
| Authors of publication | Senge, Mathias O.; Zawadzka, Monika |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| a | 10.28 ± 0.003 Å |
| b | 11.637 ± 0.004 Å |
| c | 14.052 ± 0.004 Å |
| α | 110.195 ± 0.002° |
| β | 95.785 ± 0.002° |
| γ | 105.564 ± 0.004° |
| Cell volume | 1484.6 ± 0.8 Å3 |
| Cell temperature | 108 ± 2 K |
| Ambient diffraction temperature | 108 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1015 |
| Weighted residual factors for all reflections included in the refinement | 0.1103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181867 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019735.cif 2019735.hkl |
| 180865 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/97. |
2019735.cif 2019735.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019735.cif 2019735.hkl |
| 127491 | 2014-11-19 | cif/ hkl/ Adding structures of 2019734, 2019735 via cif-deposit CGI script. |
2019735.cif 2019735.hkl |
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