[meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ4N,N′,N′′,N′′′]nickel(II)
The NiII atom in the title porphyrin complex, [Ni(C36H16Br4N4S4)], is in a square-planar geometry defined by four pyrrole N atoms. There is considerable buckling in the porphyrin ring with the dihedral angles between the N4 donor set and the pyrrole rings being in the range 17.0 (3)&am...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2012-04-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812011671 |
| _version_ | 1819291398889799680 |
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| author | R. Prasath P. Bhavana Seik Weng Ng Edward R. T. Tiekink |
| author_facet | R. Prasath P. Bhavana Seik Weng Ng Edward R. T. Tiekink |
| author_sort | R. Prasath |
| collection | DOAJ |
| description | The NiII atom in the title porphyrin complex, [Ni(C36H16Br4N4S4)], is in a square-planar geometry defined by four pyrrole N atoms. There is considerable buckling in the porphyrin ring with the dihedral angles between the N4 donor set and the pyrrole rings being in the range 17.0 (3)–18.8 (3)°. Each of the six-membered chelate rings is twisted about an Ni—N bond and the dihedral angles between diagonally opposite chelate rings are 13.08 (15) and 13.45 (11)°; each pair of rings is orientated in opposite directions. The bromothienyl rings are twisted out of the plane of the central N4 core with dihedral angles in the range 51.7 (2)–74.65 (19)°. Supramolecular chains along [001] are formed through C—H...Br interactions in the crystal packing. Three of the four bromothienyl units are disordered over two coplanar positions of opposite orientation with the major components being in 0.691 (3), 0.738 (3) and 0.929 (9) fractions. |
| first_indexed | 2024-12-24T03:38:01Z |
| format | Article |
| id | doaj.art-019e672a6a70481db16aa1669fd93bf3 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T03:38:01Z |
| publishDate | 2012-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-019e672a6a70481db16aa1669fd93bf32022-12-21T17:17:00ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-04-01684m471m47210.1107/S1600536812011671[meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ4N,N′,N′′,N′′′]nickel(II)R. PrasathP. BhavanaSeik Weng NgEdward R. T. TiekinkThe NiII atom in the title porphyrin complex, [Ni(C36H16Br4N4S4)], is in a square-planar geometry defined by four pyrrole N atoms. There is considerable buckling in the porphyrin ring with the dihedral angles between the N4 donor set and the pyrrole rings being in the range 17.0 (3)–18.8 (3)°. Each of the six-membered chelate rings is twisted about an Ni—N bond and the dihedral angles between diagonally opposite chelate rings are 13.08 (15) and 13.45 (11)°; each pair of rings is orientated in opposite directions. The bromothienyl rings are twisted out of the plane of the central N4 core with dihedral angles in the range 51.7 (2)–74.65 (19)°. Supramolecular chains along [001] are formed through C—H...Br interactions in the crystal packing. Three of the four bromothienyl units are disordered over two coplanar positions of opposite orientation with the major components being in 0.691 (3), 0.738 (3) and 0.929 (9) fractions.http://scripts.iucr.org/cgi-bin/paper?S1600536812011671 |
| spellingShingle | R. Prasath P. Bhavana Seik Weng Ng Edward R. T. Tiekink [meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ4N,N′,N′′,N′′′]nickel(II) Acta Crystallographica Section E |
| title | [meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ4N,N′,N′′,N′′′]nickel(II) |
| title_full | [meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ4N,N′,N′′,N′′′]nickel(II) |
| title_fullStr | [meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ4N,N′,N′′,N′′′]nickel(II) |
| title_full_unstemmed | [meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ4N,N′,N′′,N′′′]nickel(II) |
| title_short | [meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ4N,N′,N′′,N′′′]nickel(II) |
| title_sort | meso 5 10 15 20 tetrakis 5 bromothiophen 2 yl porphyrinato amp 954 4n n amp 8242 n amp 8242 amp 8242 n amp 8242 amp 8242 amp 8242 nickel ii |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536812011671 |
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