Bis[tris-(1H-pyrazol-1-yl-κN2)methane]-nickel(II) bis-{[tris-(1H-pyrazol-1-yl-κN2)methane]-tris-(thio-cyanato- κN)nickelate(II)} methanol disolvate

Ganna Lyubartseva; Sean Parkin; Uma Prasad Mallik

doi:10.1107/S1600536811045144

Bis[tris-(1H-pyrazol-1-yl-κN²)methane]-nickel(II) bis-{[tris-(1H-pyrazol-1-yl-κN²)methane]-tris-(thio-cyanato- κN)nickelate(II)} methanol disolvate

Ganna Lyubartseva, Sean Parkin, Uma Prasad Mallik

Chemistry

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

Attempts to prepare the mononuclear [(tpm)Ni^II L ₃]^-1 [tpm = tris-(1H-pyrazol-1-yl)methane and L = thio-cyanate] anion yielded the methanol-solvated salt, [(tpm) ₂Ni^II][(tpm)Ni^II(NCS)₃] ₂·2CH₃OH or [Ni(C₁₀H₁₀N ₆)₂][Ni(NCS)₃(C₁₀H ₁₀N₆)]₂·2CH₃OH. The asymmetric unit consists of half a centrosymmetric bis-[tris-(1H-pyrazol-1-yl) methane]-nickel(II) cation and an octa-hedral nickelate(II) anion bound to one tpm and three L ligands, and a methanol solvent molecule. One of the L ligands is disordered over two positions with occupancy factors of 0.650 (3) and 0.350 (3). There are O-H⋯S interactions between the methanol and the disordered thio-cyanate anion, and a weak C-H⋯O hydrogen bond between the cation and the methanol O atom.

Original language	English
Pages (from-to)	m1656-m1657
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	67
Issue number	12
DOIs	https://doi.org/10.1107/S1600536811045144
State	Published - Dec 2011

Keywords

R factor = 0.049
T = 90 K
data-to-parameter ratio = 13.4
disorder in main residue
mean σ(C-C) = 0.005 Å
single-crystal X-ray study
wR factor = 0.128

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

Access to Document

10.1107/S1600536811045144

Cite this

@article{42b86dbc4c694afdb063620940943865,

title = "Bis[tris-(1H-pyrazol-1-yl-κN2)methane]-nickel(II) bis-{[tris-(1H-pyrazol-1-yl-κN2)methane]-tris-(thio-cyanato- κN)nickelate(II)} methanol disolvate",

abstract = "Attempts to prepare the mononuclear [(tpm)NiII L 3]-1 [tpm = tris-(1H-pyrazol-1-yl)methane and L = thio-cyanate] anion yielded the methanol-solvated salt, [(tpm) 2NiII][(tpm)NiII(NCS)3] 2·2CH3OH or [Ni(C10H10N 6)2][Ni(NCS)3(C10H 10N6)]2·2CH3OH. The asymmetric unit consists of half a centrosymmetric bis-[tris-(1H-pyrazol-1-yl) methane]-nickel(II) cation and an octa-hedral nickelate(II) anion bound to one tpm and three L ligands, and a methanol solvent molecule. One of the L ligands is disordered over two positions with occupancy factors of 0.650 (3) and 0.350 (3). There are O-H⋯S interactions between the methanol and the disordered thio-cyanate anion, and a weak C-H⋯O hydrogen bond between the cation and the methanol O atom.",

keywords = "R factor = 0.049, T = 90 K, data-to-parameter ratio = 13.4, disorder in main residue, mean σ(C-C) = 0.005 {\AA}, single-crystal X-ray study, wR factor = 0.128",

author = "Ganna Lyubartseva and Sean Parkin and Mallik, {Uma Prasad}",

year = "2011",

month = dec,

doi = "10.1107/S1600536811045144",

language = "English",

volume = "67",

pages = "m1656--m1657",

number = "12",

}

Bis[tris-(1H-pyrazol-1-yl-κN²)methane]-nickel(II) bis-{[tris-(1H-pyrazol-1-yl-κN²)methane]-tris-(thio-cyanato- κN)nickelate(II)} methanol disolvate. / Lyubartseva, Ganna; Parkin, Sean; Mallik, Uma Prasad.
In: Acta Crystallographica Section E: Structure Reports Online, Vol. 67, No. 12, 12.2011, p. m1656-m1657.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Bis[tris-(1H-pyrazol-1-yl-κN2)methane]-nickel(II) bis-{[tris-(1H-pyrazol-1-yl-κN2)methane]-tris-(thio-cyanato- κN)nickelate(II)} methanol disolvate

AU - Lyubartseva, Ganna

AU - Parkin, Sean

AU - Mallik, Uma Prasad

PY - 2011/12

Y1 - 2011/12

N2 - Attempts to prepare the mononuclear [(tpm)NiII L 3]-1 [tpm = tris-(1H-pyrazol-1-yl)methane and L = thio-cyanate] anion yielded the methanol-solvated salt, [(tpm) 2NiII][(tpm)NiII(NCS)3] 2·2CH3OH or [Ni(C10H10N 6)2][Ni(NCS)3(C10H 10N6)]2·2CH3OH. The asymmetric unit consists of half a centrosymmetric bis-[tris-(1H-pyrazol-1-yl) methane]-nickel(II) cation and an octa-hedral nickelate(II) anion bound to one tpm and three L ligands, and a methanol solvent molecule. One of the L ligands is disordered over two positions with occupancy factors of 0.650 (3) and 0.350 (3). There are O-H⋯S interactions between the methanol and the disordered thio-cyanate anion, and a weak C-H⋯O hydrogen bond between the cation and the methanol O atom.

AB - Attempts to prepare the mononuclear [(tpm)NiII L 3]-1 [tpm = tris-(1H-pyrazol-1-yl)methane and L = thio-cyanate] anion yielded the methanol-solvated salt, [(tpm) 2NiII][(tpm)NiII(NCS)3] 2·2CH3OH or [Ni(C10H10N 6)2][Ni(NCS)3(C10H 10N6)]2·2CH3OH. The asymmetric unit consists of half a centrosymmetric bis-[tris-(1H-pyrazol-1-yl) methane]-nickel(II) cation and an octa-hedral nickelate(II) anion bound to one tpm and three L ligands, and a methanol solvent molecule. One of the L ligands is disordered over two positions with occupancy factors of 0.650 (3) and 0.350 (3). There are O-H⋯S interactions between the methanol and the disordered thio-cyanate anion, and a weak C-H⋯O hydrogen bond between the cation and the methanol O atom.

KW - R factor = 0.049

KW - T = 90 K

KW - data-to-parameter ratio = 13.4

KW - disorder in main residue

KW - mean σ(C-C) = 0.005 Å

KW - single-crystal X-ray study

KW - wR factor = 0.128

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U2 - 10.1107/S1600536811045144

DO - 10.1107/S1600536811045144

M3 - Article

C2 - 22199483

AN - SCOPUS:83155184685

SN - 1600-5368

VL - 67

SP - m1656-m1657

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 12

ER -