A novel 1:1 co-crystal of bis(1,10-phenanthroline) (1,10-phenanthroline-5, 6-dione)nickel(II) hexafluorophosphate and tris(1,10-phenanthroline)nickel(II) hexafluorophosphate complexes, [Ni(phen) _2(phen-dione)] [Ni(phen) _3] (PF _6) _4

Hadadzadeh H.; Mansouri G.; Rezvani A.R.; Khavasi H.R.

首页> 外文期刊>Journal of chemical crystallography >A novel 1:1 co-crystal of bis(1,10-phenanthroline) (1,10-phenanthroline-5, 6-dione)nickel(II) hexafluorophosphate and tris(1,10-phenanthroline)nickel(II) hexafluorophosphate complexes, [Ni(phen) _2(phen-dione)] [Ni(phen) _3] (PF _6) _4

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A novel 1:1 co-crystal of bis(1,10-phenanthroline) (1,10-phenanthroline-5, 6-dione)nickel(II) hexafluorophosphate and tris(1,10-phenanthroline)nickel(II) hexafluorophosphate complexes, [Ni(phen) _2(phen-dione)] [Ni(phen) _3] (PF _6) _4

机译：双（1,10-菲咯啉）（1,10-菲咯啉-5，6-二酮）六氟磷酸镍（II）和六氟磷酸三（1,10-菲咯啉）镍（II）配合物的新型1：1共晶体，[Ni（phen）_2（phen-dione）] [Ni（phen）_3]（PF _6）_4

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The purpose of this study was to investigate whether co-crystals form by simply mixing pure solutions of [Ni(phen) _3](PF _6) _2 and [Ni(phen) _2(phen-dione)](PF _6) _2 where phen is 1,10-phenanthroline and phen-dione is 1,10-phenan-throline-5,6- dione. The 1:1 cocrystal, [Ni(phen) _2(phen-dione)][Ni(phen) _3](PF _6) _4·CH _3CN has been characterized by elemental analysis, IR, paramagnetic NMR, and UV-vis spectroscopies, cyclic voltammetry, and single crystal X-ray structure analysis. The title complex crystallized in triclinic crystal system (z = 2) with space group of P1?, a = 13.201(2) ?, b = 14.782(3) ?, c = 22.294(4) ?, α = 81.575(15)°, β = 88.756(15)° γ = 88.032(15)° and V = 4300.1(14) ? ~3. A careful inspection of the packing pattern in the lattice reveals that non-covalent interactions of three different types, viz. C-H...F, C=O...H-C and C-H...π interactions, are active in the lattice. The coordination around the Ni(II) centers is a distorted octahedral, with bite angles of 78.3-79.8° for the chelating phen and phen-dione ligands. Cyclic voltammetry of this co-crystal shows that the Ni(III/II) couple is quasireversible. The effective magnetic moment (μ _(eff)) of the co-crystal was measured to be 2.87 BM per Ni(II) ion by Evans method. The magnitude of μ _(eff) is consistent with magnetic moment for octahedral Ni(II) complexes.

机译：这项研究的目的是研究是否通过简单混合[Ni（phen）_3]（PF _6）_2和[Ni（phen）_2（phen-dione）]（PF _6）_2的纯溶液形成共晶。 phen是1,10-菲咯啉，而phen-dione是1,10-phenan-throline-5,6-dione。 1：1共晶[Ni（phen）_2（phen-dione）] [Ni（phen）_3]（PF _6）_4·CH _3CN已通过元素分析，IR，顺磁NMR和UV-vis光谱学表征，循环伏安法和单晶X射线结构分析。标题配合物在三斜晶系（z = 2）中结晶，空间群为P1α，a = 13.201（2）β，b = 14.782（3）α，c = 22.294（4）α，α= 81.575（15） °，β= 88.756（15）°γ= 88.032（15）°和V = 4300.1（14）？〜3。仔细检查晶格中的堆积图案，可以发现三种不同类型的非共价相互作用。 C-H ... F，C = O ... H-C和C-H ...π相互作用在晶格中有效。 Ni（II）中心周围的配位是扭曲的八面体，螯合的phen和phen-dione配体的咬合角为78.3-79.8°。该共晶体的循环伏安法表明Ni（III / II）对是准可逆的。通过Evans方法测得该共晶体的有效磁矩（μ_（eff））为每个Ni（II）离子为2.87BM。 μ_（eff）的大小与八面体Ni（II）配合物的磁矩一致。

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来源
《Journal of chemical crystallography》 |2012年第5期|共8页
作者
Hadadzadeh H.; Mansouri G.; Rezvani A.R.; Khavasi H.R.;
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正文语种 eng
中图分类晶体学;
关键词
1; 10-phenanthroline; 1; 10-phenanthroline-5; 6-dione; Co-crystal; Crystal structure; Cyclic voltammetry; Nickel(II) complex;

机译：1;10-菲咯啉;1;10-菲咯啉-5;6-二酮;共晶体;晶体结构;循环伏安法;镍（II）配合物;

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1. A novel 1:1 co-crystal of bis(1,10-phenanthroline) (1,10-phenanthroline-5, 6-dione)nickel(II) hexafluorophosphate and tris(1,10-phenanthroline)nickel(II) hexafluorophosphate complexes, [Ni(phen) _2(phen-dione)] [Ni(phen) _3] (PF _6) _4 [J] . Hadadzadeh H., Mansouri G., Rezvani A.R., Journal of chemical crystallography . 2012,第5期

机译：双（1,10-菲咯啉）（1,10-菲咯啉-5，6-二酮）六氟磷酸镍（II）和六氟磷酸三（1,10-菲咯啉）镍（II）配合物的新型1：1共晶体，[Ni（phen）_2（phen-dione）] [Ni（phen）_3]（PF _6）_4
2. Dithiosquarate (dtsq) complexes of nickel(II). Syntheses and crystal structures of [Ni(phen)(2)(1,2-dtsq)]center dot 3.SH2O, [Ni(phen)(2)(1,3-dtsq)] and [Ni(tren)(1,2-dtsq)] [phen=1,10-phenanthroline; tren=tris(2-aminoethyl)amine] [J] . Calatayud ML., Sletten J., Castro I., Inorganica Chimica Acta . 2003,第0期

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3. Differential metathesis reactions of 2,2 '-bipyridine and 1,10-phenanthroline complexes of cobalt(II) and nickel(II): cocrystallization of ionization isomers {[cis-Ni(phen)(2)(H2O)(2)][cis-Ni(phen)(2)(H2O)Cl]} (PF6)(3)center dot 4.5H(2)O, and a synth [J] . Brewer B., Brooks NR., Abdul-Halim S., Journal of chemical crystallography . 2003,第9期

机译：钴（II）和镍（II）的2,2'-联吡啶和1,10-菲咯啉配合物的微分置换反应：电离异构体{[顺式-Ni（苯）（2）（H2O）（2）]的共结晶[顺式Ni（phen）（2）（H2O）Cl]}（PF6）（3）中心点4.5H（2）O和合成物
4. Anti-Proliferative Potential of a Co(II) Coordination Compound Bearing 1,10-Phenanthroline-5,6-Dione: DNA and Protein Interaction Studies and Its Application in Cancer Therapy [C] . Daniel V. Luís, Joana Silva, Ana Isabel Tomaz, Molecular Medicine TRI-CON. . 2014

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7. cis-Bis[(4-nitrophenyl)cyanamido-κN 1]bis(1,10-phenanthroline-κ2 N,N′)nickel(II) methanol monosolvate [O] . Chiniforoshan, Hossein, Jazestani, Mehdi, Notash, Behrouz 2012

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8. Structural Dependence of the Luminescence from Bis(substituted-benzenethiol)-(2,9-dimethyl-1,10- phenanthroline)zinc(II) Complexes [R] . Jordan, K. J., Wacholtz, W. F., Crosby, G. A. 1989

机译：双（取代苯硫酚） - （2,9-二甲基-1,10-菲咯啉）锌（II）配合物发光的结构依赖性

A novel 1:1 co-crystal of bis(1,10-phenanthroline) (1,10-phenanthroline-5, 6-dione)nickel(II) hexafluorophosphate and tris(1,10-phenanthroline)nickel(II) hexafluorophosphate complexes, [Ni(phen) _2(phen-dione)] [Ni(phen) _3] (PF _6) _4

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