Disorder of lattice solvent molecules in the structure of hexaaqua(μ2-1,2,4,5-benzenetetracarboxylato)-bis(2,2’-dipyridylamine)dinickel(II) hexahydrate DMSO solvate
Neuređenost molekula rastvarača u strukturi heksaakva(μ2-1,2,4,5-benzentetrakarboksilato)-bis(2,2’-dipiridilamin)dinikal(II)-heksahidrata-DMSO solvata
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The crystal structure of the complex [Ni2(btc)(dipya)2(H2O)6]⋅6H2O·DMSO (btc = tetra-anion of 1,2,4,5-benzenetetracarboxylic acid, dipya = 2,2’-dipyridylamine) was refined in the triclinic system, space group P1, using low temperature (170 K) X-ray diffraction data. The compound consists of binuclear complex entities and lattice solvent molecules making pseudo-layers parallel to the 101 plane and channels parallel to the b-axis. The observed structural features were compared with the previously reported results and formula [Ni2(btc)(dipya)2(H2O)6]⋅4H2O based on room temperature X-ray diffraction data. A possible arrangement of the disordered lattice solvent molecules located in the structural channels is described and discussed. It is concluded that the layout of these molecules is non-centrosymmetric, although the remaining and main part of the structure is centrosymmetric. .
Kristalna struktura kompleksa [Ni2(btc)(dipya)2(H2O)6]⋅6H2O·DMSO (btc = tetraanjon 1,2,4,5-benzentetrakarboksilne kiseline, dipya = 2,2’-dipiridilamin) utačnjena je u trikliničnom sistemu, prostorna grupa P1, na osnovu podataka dobijenih rendgenskom difrakcijom na niskoj temperaturi (170K). Jedinjenje se sastoji od binuklearnih kompleksnih jedinki i nekoordiniranih molekula rastvarača, koji formiraju pseudo-slojeve paralelne ravni 101 i kanale paralelne b-osi. Strukturne karakteristike kompleksa upoređene su sa ranije objavljenim rezultatima i formulom [Ni2(btc)(dipya)2(H2O)6]⋅4H2O, koji su bili zasnovani na podacima prikupljenim na sobnoj temperaturi. U radu je opisan i diskutovan mogući raspored neuređenih molekula rastvarača koji se nalaze u ranije pomenutim kanalima. Zaključeno je da raspored tih molekula mora biti necentrosimetričan, iako je preostali i najveći deo strukture centrosimetričan. .
Кључне речи:
nickel(II) complex / 1,2,4,5-benzenetetracarboxylate ion / 2,2’-dipyridylamine / crystal structure / lattice solvent molecules / disorderИзвор:
Journal of the Serbian Chemical Society, 2007, 72, 8-9, 767-771Издавач:
- Serbian Chemical Society, Belgrade
Институција/група
Tehnološko-metalurški fakultetTY - JOUR AU - Poleti, Dejan AU - Karanović, Ljiljana AU - Kremenović, Aleksandar AU - Rogan, Jelena PY - 2007 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1166 AB - The crystal structure of the complex [Ni2(btc)(dipya)2(H2O)6]⋅6H2O·DMSO (btc = tetra-anion of 1,2,4,5-benzenetetracarboxylic acid, dipya = 2,2’-dipyridylamine) was refined in the triclinic system, space group P1, using low temperature (170 K) X-ray diffraction data. The compound consists of binuclear complex entities and lattice solvent molecules making pseudo-layers parallel to the 101 plane and channels parallel to the b-axis. The observed structural features were compared with the previously reported results and formula [Ni2(btc)(dipya)2(H2O)6]⋅4H2O based on room temperature X-ray diffraction data. A possible arrangement of the disordered lattice solvent molecules located in the structural channels is described and discussed. It is concluded that the layout of these molecules is non-centrosymmetric, although the remaining and main part of the structure is centrosymmetric. . AB - Kristalna struktura kompleksa [Ni2(btc)(dipya)2(H2O)6]⋅6H2O·DMSO (btc = tetraanjon 1,2,4,5-benzentetrakarboksilne kiseline, dipya = 2,2’-dipiridilamin) utačnjena je u trikliničnom sistemu, prostorna grupa P1, na osnovu podataka dobijenih rendgenskom difrakcijom na niskoj temperaturi (170K). Jedinjenje se sastoji od binuklearnih kompleksnih jedinki i nekoordiniranih molekula rastvarača, koji formiraju pseudo-slojeve paralelne ravni 101 i kanale paralelne b-osi. Strukturne karakteristike kompleksa upoređene su sa ranije objavljenim rezultatima i formulom [Ni2(btc)(dipya)2(H2O)6]⋅4H2O, koji su bili zasnovani na podacima prikupljenim na sobnoj temperaturi. U radu je opisan i diskutovan mogući raspored neuređenih molekula rastvarača koji se nalaze u ranije pomenutim kanalima. Zaključeno je da raspored tih molekula mora biti necentrosimetričan, iako je preostali i najveći deo strukture centrosimetričan. . PB - Serbian Chemical Society, Belgrade T2 - Journal of the Serbian Chemical Society T1 - Disorder of lattice solvent molecules in the structure of hexaaqua(μ2-1,2,4,5-benzenetetracarboxylato)-bis(2,2’-dipyridylamine)dinickel(II) hexahydrate DMSO solvate T1 - Neuređenost molekula rastvarača u strukturi heksaakva(μ2-1,2,4,5-benzentetrakarboksilato)-bis(2,2’-dipiridilamin)dinikal(II)-heksahidrata-DMSO solvata EP - 771 IS - 8-9 SP - 767 VL - 72 UR - https://hdl.handle.net/21.15107/rcub_technorep_1166 ER -
@article{ author = "Poleti, Dejan and Karanović, Ljiljana and Kremenović, Aleksandar and Rogan, Jelena", year = "2007", abstract = "The crystal structure of the complex [Ni2(btc)(dipya)2(H2O)6]⋅6H2O·DMSO (btc = tetra-anion of 1,2,4,5-benzenetetracarboxylic acid, dipya = 2,2’-dipyridylamine) was refined in the triclinic system, space group P1, using low temperature (170 K) X-ray diffraction data. The compound consists of binuclear complex entities and lattice solvent molecules making pseudo-layers parallel to the 101 plane and channels parallel to the b-axis. The observed structural features were compared with the previously reported results and formula [Ni2(btc)(dipya)2(H2O)6]⋅4H2O based on room temperature X-ray diffraction data. A possible arrangement of the disordered lattice solvent molecules located in the structural channels is described and discussed. It is concluded that the layout of these molecules is non-centrosymmetric, although the remaining and main part of the structure is centrosymmetric. ., Kristalna struktura kompleksa [Ni2(btc)(dipya)2(H2O)6]⋅6H2O·DMSO (btc = tetraanjon 1,2,4,5-benzentetrakarboksilne kiseline, dipya = 2,2’-dipiridilamin) utačnjena je u trikliničnom sistemu, prostorna grupa P1, na osnovu podataka dobijenih rendgenskom difrakcijom na niskoj temperaturi (170K). Jedinjenje se sastoji od binuklearnih kompleksnih jedinki i nekoordiniranih molekula rastvarača, koji formiraju pseudo-slojeve paralelne ravni 101 i kanale paralelne b-osi. Strukturne karakteristike kompleksa upoređene su sa ranije objavljenim rezultatima i formulom [Ni2(btc)(dipya)2(H2O)6]⋅4H2O, koji su bili zasnovani na podacima prikupljenim na sobnoj temperaturi. U radu je opisan i diskutovan mogući raspored neuređenih molekula rastvarača koji se nalaze u ranije pomenutim kanalima. Zaključeno je da raspored tih molekula mora biti necentrosimetričan, iako je preostali i najveći deo strukture centrosimetričan. .", publisher = "Serbian Chemical Society, Belgrade", journal = "Journal of the Serbian Chemical Society", title = "Disorder of lattice solvent molecules in the structure of hexaaqua(μ2-1,2,4,5-benzenetetracarboxylato)-bis(2,2’-dipyridylamine)dinickel(II) hexahydrate DMSO solvate, Neuređenost molekula rastvarača u strukturi heksaakva(μ2-1,2,4,5-benzentetrakarboksilato)-bis(2,2’-dipiridilamin)dinikal(II)-heksahidrata-DMSO solvata", pages = "771-767", number = "8-9", volume = "72", url = "https://hdl.handle.net/21.15107/rcub_technorep_1166" }
Poleti, D., Karanović, L., Kremenović, A.,& Rogan, J.. (2007). Disorder of lattice solvent molecules in the structure of hexaaqua(μ2-1,2,4,5-benzenetetracarboxylato)-bis(2,2’-dipyridylamine)dinickel(II) hexahydrate DMSO solvate. in Journal of the Serbian Chemical Society Serbian Chemical Society, Belgrade., 72(8-9), 767-771. https://hdl.handle.net/21.15107/rcub_technorep_1166
Poleti D, Karanović L, Kremenović A, Rogan J. Disorder of lattice solvent molecules in the structure of hexaaqua(μ2-1,2,4,5-benzenetetracarboxylato)-bis(2,2’-dipyridylamine)dinickel(II) hexahydrate DMSO solvate. in Journal of the Serbian Chemical Society. 2007;72(8-9):767-771. https://hdl.handle.net/21.15107/rcub_technorep_1166 .
Poleti, Dejan, Karanović, Ljiljana, Kremenović, Aleksandar, Rogan, Jelena, "Disorder of lattice solvent molecules in the structure of hexaaqua(μ2-1,2,4,5-benzenetetracarboxylato)-bis(2,2’-dipyridylamine)dinickel(II) hexahydrate DMSO solvate" in Journal of the Serbian Chemical Society, 72, no. 8-9 (2007):767-771, https://hdl.handle.net/21.15107/rcub_technorep_1166 .