(E)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(Z)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III) with an unknown amount of water as solvate
In the complex anion of the title salt, (C16H19N2)[Gd(C8H4F3S)4], the GaIII cation is O,O′-chelated by four anionic 4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olate ligands in a distorted square-antiprismatic geometry; the 4-[4-(dimethylamino)styryl]-1-methylpyridin-1-ium cation is nearly pla...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2016-11-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314616017272 |
| _version_ | 1818992838053986304 |
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| author | Da-Jun Wu Bin Fang |
| author_facet | Da-Jun Wu Bin Fang |
| author_sort | Da-Jun Wu |
| collection | DOAJ |
| description | In the complex anion of the title salt, (C16H19N2)[Gd(C8H4F3S)4], the GaIII cation is O,O′-chelated by four anionic 4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olate ligands in a distorted square-antiprismatic geometry; the 4-[4-(dimethylamino)styryl]-1-methylpyridin-1-ium cation is nearly planar, with a dihedral angle of 9.6 (5)° between the planes of the pyridine and benzene rings. In the crystal, the cations are linked with the complex anions via weak C—H...F and C—H...π interactions. Two of the four independent thiophene rings are disordered over two sites; occupancies were refined to 0.662 (10):0.338 (10). The solvent water molecules are highly disordered in a solvent-accessible void of 54 (3) Å3; the diffuse electron densities were removed from the data set using SQUEEZE [Spek (2015). Acta Cryst. C71, 9–16]. These solvent molecules are not considered in the given chemical formula and other crystal data. |
| first_indexed | 2024-12-20T20:32:31Z |
| format | Article |
| id | doaj.art-60b43ef098094d6bba6eb803ae7247c8 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-20T20:32:31Z |
| publishDate | 2016-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-60b43ef098094d6bba6eb803ae7247c82022-12-21T19:27:19ZengInternational Union of CrystallographyIUCrData2414-31462016-11-01111x16172710.1107/S2414314616017272xu4016(E)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(Z)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III) with an unknown amount of water as solvateDa-Jun Wu0Bin Fang1Department of Chemistry, Anhui University, Hefei 230601, People's Republic of China, Key Laboratory of Functional Inorganic Materials Chemistry, Hefei 230601, People's Republic of ChinaDepartment of Chemistry, Anhui University, Hefei 230601, People's Republic of China, Key Laboratory of Functional Inorganic Materials Chemistry, Hefei 230601, People's Republic of ChinaIn the complex anion of the title salt, (C16H19N2)[Gd(C8H4F3S)4], the GaIII cation is O,O′-chelated by four anionic 4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olate ligands in a distorted square-antiprismatic geometry; the 4-[4-(dimethylamino)styryl]-1-methylpyridin-1-ium cation is nearly planar, with a dihedral angle of 9.6 (5)° between the planes of the pyridine and benzene rings. In the crystal, the cations are linked with the complex anions via weak C—H...F and C—H...π interactions. Two of the four independent thiophene rings are disordered over two sites; occupancies were refined to 0.662 (10):0.338 (10). The solvent water molecules are highly disordered in a solvent-accessible void of 54 (3) Å3; the diffuse electron densities were removed from the data set using SQUEEZE [Spek (2015). Acta Cryst. C71, 9–16]. These solvent molecules are not considered in the given chemical formula and other crystal data.http://scripts.iucr.org/cgi-bin/paper?S2414314616017272crystal structureGdIII complex anion4-[4-(dimethylamino)styryl]-1-methylpyridin-1-ium cationweak C—H...F interaction |
| spellingShingle | Da-Jun Wu Bin Fang (E)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(Z)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III) with an unknown amount of water as solvate IUCrData crystal structure GdIII complex anion 4-[4-(dimethylamino)styryl]-1-methylpyridin-1-ium cation weak C—H...F interaction |
| title | (E)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(Z)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III) with an unknown amount of water as solvate |
| title_full | (E)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(Z)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III) with an unknown amount of water as solvate |
| title_fullStr | (E)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(Z)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III) with an unknown amount of water as solvate |
| title_full_unstemmed | (E)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(Z)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III) with an unknown amount of water as solvate |
| title_short | (E)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(Z)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III) with an unknown amount of water as solvate |
| title_sort | e 4 4 dimethylamino styryl 1 methylpyridin 1 ium tetrakis z 4 4 4 trifluoro 3 oxo 1 thiophen 2 yl but 1 en 1 olato gadolinate iii with an unknown amount of water as solvate |
| topic | crystal structure GdIII complex anion 4-[4-(dimethylamino)styryl]-1-methylpyridin-1-ium cation weak C—H...F interaction |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314616017272 |
| work_keys_str_mv | AT dajunwu e44dimethylaminostyryl1methylpyridin1iumtetrakisz444trifluoro3oxo1thiophen2ylbut1en1olatogadolinateiiiwithanunknownamountofwaterassolvate AT binfang e44dimethylaminostyryl1methylpyridin1iumtetrakisz444trifluoro3oxo1thiophen2ylbut1en1olatogadolinateiiiwithanunknownamountofwaterassolvate |