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Information card for entry 2019734
Preview
| Coordinates | 2019734.cif |
|---|---|
| Structure factors | 2019734.hkl |
| Original IUCr paper | HTML |
| Chemical name | [5,10-Dibromo-15,20-bis(4-methylphenyl)porphyrinato]palladium(II) |
|---|---|
| Formula | C34 H22 Br2 N4 Pd |
| Calculated formula | C34 H22 Br2 N4 Pd |
| SMILES | [Pd]123n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)Br)cc2)Br)cc3)c1ccc(cc1)C)cc6)c1ccc(cc1)C |
| 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 | 9.396 ± 0.004 Å |
| b | 10.558 ± 0.005 Å |
| c | 15.129 ± 0.007 Å |
| α | 95.157 ± 0.008° |
| β | 103.433 ± 0.008° |
| γ | 107.007 ± 0.008° |
| Cell volume | 1375.7 ± 1.1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0859 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1635 |
| Weighted residual factors for all reflections included in the refinement | 0.1802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 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. |
2019734.cif 2019734.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. |
2019734.cif 2019734.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. |
2019734.cif 2019734.hkl |
| 127491 | 2014-11-19 | cif/ hkl/ Adding structures of 2019734, 2019735 via cif-deposit CGI script. |
2019734.cif 2019734.hkl |
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