catena-Poly[[diaqua­bis­(formato-κO)nickel(II)]-μ-2,4,6-tris­(4-pyrid­yl)-1,3,5-triazine-κ2 N 2:N 4]

Miao Feng; Hui-Juan Tian; Huai-Feng Mi; Tong-Liang Hu

doi:10.1107/S1600536811012281

. 2011 Apr 13;67(Pt 5):m563. doi: 10.1107/S1600536811012281

catena-Poly[[diaquabis(formato-κO)nickel(II)]-μ-2,4,6-tris(4-pyridyl)-1,3,5-triazine-κ² N ²:N ⁴]

Miao Feng ^a, Hui-Juan Tian ^a, Huai-Feng Mi ^a,^*, Tong-Liang Hu ^b

PMCID: PMC3089175 PMID: 21754294

Abstract

In the title compound, [Ni(CHO₂)₂(C₁₈H₁₂N₆)(H₂O)₂]_n, the Ni^II ion, lying on a crystallographic inversion center, has a distorted octahedral coordination comprising two water ligands, two O-atom donors from formate ligands and two N-atom donors from the 2,4,6-tris(4-pyridyl)-1,3,5-triazine ligands. These ligands bridge the Ni^II complex units, forming zigzag chains along the c axis. Adjacent chains are linked by O—H⋯O hydrogen bonds, forming a three-dimensional supramolecular network.

Related literature

For the structures and properties of coordination compounds with 2,4,6-tris(4-pyridyl)-1,3,5-triazine as a ligand, see: Abrahams et al. (1999 ▶); Barrios et al. (2007 ▶); Batten et al. (1995 ▶); Dybtsev et al. (2004 ▶). 2~2~O ligand should bind through the O atom

Experimental

Crystal data

[Ni(CHO₂)₂(C₁₈H₁₂N₆)(H₂O)₂]
M _r = 497.11
Monoclinic,
a = 24.725 (5) Å
b = 10.969 (2) Å
c = 7.4196 (15) Å
β = 90.23 (3)°
V = 2012.2 (7) Å³
Z = 4
Mo Kα radiation
μ = 1.02 mm⁻¹
T = 293 K
0.15 × 0.10 × 0.10 mm

Data collection

Rigaku SCX-mini diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T _min = 0.836, T _max = 1.000
10365 measured reflections
2302 independent reflections
1937 reflections with I > 2σ(I)
R _int = 0.040

Refinement

R[F ² > 2σ(F ²)] = 0.034
wR(F ²) = 0.078
S = 1.05
2302 reflections
153 parameters
H-atom parameters constrained
Δρ_max = 0.33 e Å⁻³
Δρ_min = −0.28 e Å⁻³

Data collection: PROCESS-AUTO (Rigaku, 1998 ▶); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536811012281/bq2289sup1.cif

e-67-0m563-sup1.cif^{(18.1KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536811012281/bq2289Isup2.hkl

e-67-0m563-Isup2.hkl^{(113.3KB, hkl)}

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Table 1. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H6⋯O2ⁱ	0.86	1.96	2.818 (2)	177
O3—H7⋯O2ⁱⁱ	0.83	1.95	2.777 (2)	174

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Symmetry codes: (i) Inline graphic ; (ii) .

Acknowledgments

This work was supported by the National Natural Science Foundation of China [project approval No. 20974053].

supplementary crystallographic information

Comment

As an interesting polydentate nitrogen donor ligand, 2,4,6-tris(4-pyridyl)-1,3,5-triazine has attracted increasing attention in the synthesis of novel transition metal complexes with novel topology and properties (Abrahams et al., 1999; Dybtsev et al., 2004; Barrios et al., 2007; Batten et al., 1995). Our interest in 2,4,6-tris(4-pyridyl)-1,3,5-triazine transition metal complexes prompts us to report the title compound (I).

As shown in Fig. 1, in the title compound, [Ni(C₁₈H₁₂N₆)(H₂O)₂(HCOO)₂]n, the Ni^II ion, lying on a crystallographic inversion center, has a distorted octahedral coordination sphere comprising two water ligands, two O-atom donors from formate ligands and two N-atom donors from the 2,4,6-tris(4-pyridyl)-1,3,5-triazine ligands. These ligands bridge the Ni^II complex units to form zigzag chains along c axis (Fig. 2). Adjacent chains are linked by O—H···O hydrogen bonds (Table 1), forming a three-dimensional supramolecular network (Fig. 3).

Experimental

A mixture of Ni(HCOO)₂.2H₂O (0.15 mmol), 2,4,6-tris(4-pyridyl)-1,3,5-triazine (0.05 mmol), and 10 ml H₂O were put in a 23-ml Teflon liner reactor and heated at 413 K in oven for 72 h. The resulting solution was slowly cooled to room temperature to yield single crystals of the title compound.