metal-organic compounds
Tetraaquabis[3-(3-pyridyl)-5-(4-pyridyl)-1,2,4-triazolido]nickel(II) dihydrate
aDepartment of Pharmacy, Shaoyang Medical College, Shaoyang, Hunan 422000, People's Republic of China
*Correspondence e-mail: yunliangz2009@163.com
In the title compound, [Ni(C12H8N5)2(H2O)4]·2H2O, the NiII atom is coordinated by the two N atoms [Ni—N = 2.094 (3) Å] and four O atoms [Ni—O = 2.063 (3)–2.083 (2) Å] in a distorted octahedral geometry. The molecule is centrosymmetric and the NiII atom is located on an inversion center. Intermolecular O—H⋯N and O—H⋯O hydrogen bonds link the complex into a three-dimensional supramolecular framework.
Related literature
For hydrogen-bond interactions in biological systems, see: Deisenhofer & Michel (1989). For supramolecular assembly through hydrogen bonds, see: Beatty (2003); Li et al. (2006); Russell & Ward (1996). For related structures, see: Liu et al. (2008); Liu & Zhang (2009); Rarig et al. (2001).
Experimental
Crystal data
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Refinement
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Data collection: SMART (Bruker, 1998); cell SAINT (Bruker, 1998); data reduction: SAINT; 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: SHELXTL.
Supporting information
10.1107/S1600536809047102/bg2306sup1.cif
contains datablocks global, I. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536809047102/bg2306Isup2.hkl
Ni(NO3)2.4H2O (0.5 mmol, 0.145 g), 1H-3-(3-pyridyl)-5-(4-pyridyl)-1,2,4-triazole (0.5 mmol, 0.112 g), and water (12 ml) were placed in a 23-ml Teflon-lined Parr bomb. The bomb was heated at 453 K for 3 d. The green block-shapped crystals were filtered off and washed with water and acetone (yield 33%, based on Ni).
Hydrogen atoms of water molecules were located in a difference Fourier map and refined with distance restraints of O—H = 0.82 (2) Å and H···H = 1.35 (2) Å. H atoms on C atom were positoned geometrically and refined using a riding model, with C—H = 0.93 Å, in all cases with U(H)= 1.2/1.5× Ueqiv(Host)
Data collection: SMART (Bruker, 1998); cell
SAINT (Bruker, 1998); data reduction: SAINT (Bruker, 1998); 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: SHELXTL (Sheldrick, 2008).Fig. 1. A view of the molecular structure of (I) with the atom-numbering scheme and 50% displacement ellipsoids (arbitrary spheres for the H atoms). Atoms with the suffix A are generated by the symmetry operation (-x, -y + 1, -z + 1). | |
Fig. 2. The 3-D network of (I). |
[Ni(C12H8N5)2(H2O)4]·2H2O | Z = 1 |
Mr = 611.25 | F(000) = 318 |
Triclinic, P1 | Dx = 1.491 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 8.2240 (16) Å | Cell parameters from 2567 reflections |
b = 9.1990 (18) Å | θ = 1.5–25.3° |
c = 9.3850 (19) Å | µ = 0.77 mm−1 |
α = 90.70 (3)° | T = 293 K |
β = 104.96 (3)° | Block, green |
γ = 96.47 (3)° | 0.20 × 0.12 × 0.08 mm |
V = 680.9 (2) Å3 |
Bruker SMART CCD area-detector diffractometer | 2437 independent reflections |
Radiation source: fine-focus sealed tube | 2258 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.040 |
ϕ and ω scans | θmax = 25.2°, θmin = 3.1° |
Absorption correction: multi-scan (SADABS; Bruker, 1998)' | h = −9→9 |
Tmin = 0.866, Tmax = 0.943 | k = −9→11 |
4042 measured reflections | l = −11→11 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.052 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.150 | H atoms treated by a mixture of independent and constrained refinement |
S = 0.99 | w = 1/[σ2(Fo2) + (0.0912P)2 + 0.8P] where P = (Fo2 + 2Fc2)/3 |
2437 reflections | (Δ/σ)max < 0.001 |
211 parameters | Δρmax = 0.55 e Å−3 |
9 restraints | Δρmin = −0.85 e Å−3 |
[Ni(C12H8N5)2(H2O)4]·2H2O | γ = 96.47 (3)° |
Mr = 611.25 | V = 680.9 (2) Å3 |
Triclinic, P1 | Z = 1 |
a = 8.2240 (16) Å | Mo Kα radiation |
b = 9.1990 (18) Å | µ = 0.77 mm−1 |
c = 9.3850 (19) Å | T = 293 K |
α = 90.70 (3)° | 0.20 × 0.12 × 0.08 mm |
β = 104.96 (3)° |
Bruker SMART CCD area-detector diffractometer | 2437 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 1998)' | 2258 reflections with I > 2σ(I) |
Tmin = 0.866, Tmax = 0.943 | Rint = 0.040 |
4042 measured reflections |
R[F2 > 2σ(F2)] = 0.052 | 9 restraints |
wR(F2) = 0.150 | H atoms treated by a mixture of independent and constrained refinement |
S = 0.99 | Δρmax = 0.55 e Å−3 |
2437 reflections | Δρmin = −0.85 e Å−3 |
211 parameters |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Ni1 | 0.0000 | 0.5000 | 0.5000 | 0.0217 (2) | |
C1 | 0.2767 (4) | 0.3042 (4) | 0.6004 (4) | 0.0291 (7) | |
H1 | 0.3256 | 0.3814 | 0.6683 | 0.035* | |
C2 | 0.3637 (5) | 0.1847 (4) | 0.5989 (4) | 0.0347 (8) | |
H2 | 0.4679 | 0.1806 | 0.6663 | 0.042* | |
C3 | 0.2938 (4) | 0.0712 (4) | 0.4959 (4) | 0.0299 (8) | |
H3 | 0.3508 | −0.0100 | 0.4928 | 0.036* | |
C4 | 0.1385 (4) | 0.0799 (3) | 0.3976 (3) | 0.0211 (6) | |
C5 | 0.0578 (4) | 0.2022 (3) | 0.4086 (3) | 0.0235 (7) | |
H5A | −0.0480 | 0.2078 | 0.3440 | 0.028* | |
C6 | 0.0580 (4) | −0.0361 (3) | 0.2837 (3) | 0.0214 (6) | |
C7 | −0.1047 (4) | −0.1550 (3) | 0.1011 (3) | 0.0231 (7) | |
C8 | −0.2408 (4) | −0.2007 (4) | −0.0305 (4) | 0.0270 (7) | |
C9 | −0.2480 (5) | −0.3324 (4) | −0.1091 (4) | 0.0382 (9) | |
H9A | −0.1643 | −0.3938 | −0.0785 | 0.046* | |
C10 | −0.3798 (6) | −0.3703 (5) | −0.2319 (5) | 0.0480 (11) | |
H10A | −0.3804 | −0.4570 | −0.2841 | 0.058* | |
C11 | −0.4989 (5) | −0.1649 (5) | −0.2061 (4) | 0.0428 (10) | |
H11A | −0.5863 | −0.1074 | −0.2379 | 0.051* | |
C12 | −0.3699 (5) | −0.1149 (4) | −0.0848 (4) | 0.0363 (8) | |
H12A | −0.3689 | −0.0242 | −0.0395 | 0.044* | |
N1 | 0.1255 (4) | 0.3132 (3) | 0.5083 (3) | 0.0253 (6) | |
N2 | −0.0797 (3) | −0.0233 (3) | 0.1726 (3) | 0.0243 (6) | |
N3 | 0.1159 (4) | −0.1651 (3) | 0.2840 (3) | 0.0263 (6) | |
N4 | 0.0088 (4) | −0.2439 (3) | 0.1640 (3) | 0.0276 (6) | |
N5 | −0.5067 (4) | −0.2906 (4) | −0.2810 (4) | 0.0442 (9) | |
O1 | 0.2181 (3) | 0.6258 (3) | 0.4839 (3) | 0.0321 (6) | |
O2 | 0.0796 (4) | 0.5155 (3) | 0.7297 (3) | 0.0353 (6) | |
O3 | 0.8076 (4) | 0.2539 (3) | 0.0662 (3) | 0.0405 (7) | |
H1A | 0.302 (4) | 0.650 (5) | 0.555 (3) | 0.059 (15)* | |
H2A | 0.122 (5) | 0.580 (3) | 0.796 (4) | 0.043 (12)* | |
H3A | 0.850 (8) | 0.182 (5) | 0.103 (6) | 0.12 (3)* | |
H1B | 0.210 (5) | 0.695 (3) | 0.427 (4) | 0.043 (12)* | |
H2B | 0.051 (6) | 0.440 (3) | 0.771 (4) | 0.049 (13)* | |
H3B | 0.836 (7) | 0.274 (5) | −0.009 (4) | 0.069 (17)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ni1 | 0.0260 (4) | 0.0160 (3) | 0.0190 (3) | 0.0037 (2) | −0.0020 (2) | −0.0023 (2) |
C1 | 0.0293 (18) | 0.0210 (17) | 0.0308 (18) | 0.0002 (13) | −0.0018 (15) | −0.0049 (13) |
C2 | 0.0247 (18) | 0.031 (2) | 0.040 (2) | 0.0061 (14) | −0.0065 (15) | −0.0046 (15) |
C3 | 0.0285 (18) | 0.0260 (18) | 0.0344 (19) | 0.0079 (14) | 0.0048 (15) | −0.0010 (14) |
C4 | 0.0249 (16) | 0.0183 (16) | 0.0203 (15) | 0.0011 (12) | 0.0068 (13) | 0.0007 (12) |
C5 | 0.0241 (17) | 0.0199 (16) | 0.0223 (16) | 0.0026 (12) | −0.0016 (13) | −0.0007 (12) |
C6 | 0.0260 (16) | 0.0171 (15) | 0.0211 (15) | 0.0023 (12) | 0.0062 (13) | 0.0001 (12) |
C7 | 0.0277 (17) | 0.0209 (16) | 0.0197 (16) | 0.0004 (12) | 0.0054 (13) | 0.0008 (12) |
C8 | 0.0285 (18) | 0.0289 (18) | 0.0218 (16) | −0.0021 (14) | 0.0057 (14) | 0.0005 (13) |
C9 | 0.038 (2) | 0.032 (2) | 0.036 (2) | 0.0010 (16) | −0.0030 (17) | −0.0087 (16) |
C10 | 0.049 (3) | 0.051 (3) | 0.035 (2) | −0.005 (2) | 0.0004 (19) | −0.0144 (18) |
C11 | 0.031 (2) | 0.052 (3) | 0.039 (2) | −0.0002 (17) | −0.0001 (17) | 0.0073 (18) |
C12 | 0.033 (2) | 0.038 (2) | 0.034 (2) | 0.0034 (16) | 0.0022 (16) | −0.0022 (16) |
N1 | 0.0311 (15) | 0.0184 (14) | 0.0242 (14) | 0.0033 (11) | 0.0031 (12) | −0.0016 (11) |
N2 | 0.0275 (15) | 0.0193 (14) | 0.0239 (14) | 0.0022 (11) | 0.0030 (12) | −0.0017 (11) |
N3 | 0.0363 (16) | 0.0175 (14) | 0.0217 (14) | 0.0035 (11) | 0.0015 (12) | −0.0013 (10) |
N4 | 0.0356 (16) | 0.0224 (15) | 0.0203 (14) | 0.0040 (12) | −0.0009 (12) | −0.0031 (11) |
N5 | 0.0390 (19) | 0.054 (2) | 0.0289 (17) | −0.0109 (16) | −0.0033 (14) | 0.0008 (15) |
O1 | 0.0298 (13) | 0.0263 (13) | 0.0320 (14) | 0.0000 (10) | −0.0057 (11) | 0.0068 (11) |
O2 | 0.0554 (17) | 0.0220 (14) | 0.0216 (12) | −0.0001 (12) | −0.0001 (12) | 0.0005 (10) |
O3 | 0.0514 (18) | 0.0363 (16) | 0.0345 (15) | 0.0052 (13) | 0.0128 (14) | −0.0034 (12) |
Ni1—O1i | 2.063 (3) | C7—N2 | 1.347 (4) |
Ni1—O1 | 2.063 (3) | C7—C8 | 1.456 (5) |
Ni1—O2 | 2.083 (2) | C8—C12 | 1.389 (5) |
Ni1—O2i | 2.083 (2) | C8—C9 | 1.398 (5) |
Ni1—N1 | 2.094 (3) | C9—C10 | 1.373 (6) |
Ni1—N1i | 2.094 (3) | C9—H9A | 0.9300 |
C1—N1 | 1.330 (4) | C10—N5 | 1.331 (6) |
C1—C2 | 1.379 (5) | C10—H10A | 0.9300 |
C1—H1 | 0.9300 | C11—N5 | 1.333 (5) |
C2—C3 | 1.381 (5) | C11—C12 | 1.373 (5) |
C2—H2 | 0.9300 | C11—H11A | 0.9300 |
C3—C4 | 1.380 (5) | C12—H12A | 0.9300 |
C3—H3 | 0.9300 | N3—N4 | 1.376 (4) |
C4—C5 | 1.385 (4) | O1—H1A | 0.836 (19) |
C4—C6 | 1.472 (4) | O1—H1B | 0.830 (18) |
C5—N1 | 1.345 (4) | O2—H2A | 0.828 (18) |
C5—H5A | 0.9300 | O2—H2B | 0.836 (19) |
C6—N3 | 1.327 (4) | O3—H3A | 0.82 (5) |
C6—N2 | 1.344 (4) | O3—H3B | 0.81 (4) |
C7—N4 | 1.337 (4) | ||
O1i—Ni1—O1 | 180.00 (15) | N4—C7—N2 | 113.1 (3) |
O1i—Ni1—O2 | 88.62 (11) | N4—C7—C8 | 121.9 (3) |
O1—Ni1—O2 | 91.38 (11) | N2—C7—C8 | 125.0 (3) |
O1i—Ni1—O2i | 91.38 (11) | C12—C8—C9 | 116.5 (3) |
O1—Ni1—O2i | 88.62 (11) | C12—C8—C7 | 121.6 (3) |
O2—Ni1—O2i | 180.0 | C9—C8—C7 | 121.9 (3) |
O1i—Ni1—N1 | 90.86 (11) | C10—C9—C8 | 119.4 (4) |
O1—Ni1—N1 | 89.14 (11) | C10—C9—H9A | 120.3 |
O2—Ni1—N1 | 87.82 (11) | C8—C9—H9A | 120.3 |
O2i—Ni1—N1 | 92.18 (11) | N5—C10—C9 | 124.1 (4) |
O1i—Ni1—N1i | 89.14 (11) | N5—C10—H10A | 118.0 |
O1—Ni1—N1i | 90.86 (11) | C9—C10—H10A | 118.0 |
O2—Ni1—N1i | 92.18 (11) | N5—C11—C12 | 124.1 (4) |
O2i—Ni1—N1i | 87.82 (11) | N5—C11—H11A | 117.9 |
N1—Ni1—N1i | 180.000 (1) | C12—C11—H11A | 117.9 |
N1—C1—C2 | 122.5 (3) | C11—C12—C8 | 119.5 (4) |
N1—C1—H1 | 118.7 | C11—C12—H12A | 120.2 |
C2—C1—H1 | 118.7 | C8—C12—H12A | 120.2 |
C1—C2—C3 | 119.1 (3) | C1—N1—C5 | 118.1 (3) |
C1—C2—H2 | 120.5 | C1—N1—Ni1 | 122.7 (2) |
C3—C2—H2 | 120.5 | C5—N1—Ni1 | 118.9 (2) |
C4—C3—C2 | 119.2 (3) | C6—N2—C7 | 101.9 (3) |
C4—C3—H3 | 120.4 | C6—N3—N4 | 105.3 (3) |
C2—C3—H3 | 120.4 | C7—N4—N3 | 105.8 (3) |
C3—C4—C5 | 118.1 (3) | C10—N5—C11 | 116.3 (3) |
C3—C4—C6 | 122.0 (3) | Ni1—O1—H1A | 125 (3) |
C5—C4—C6 | 119.9 (3) | Ni1—O1—H1B | 119 (3) |
N1—C5—C4 | 122.9 (3) | H1A—O1—H1B | 107 (3) |
N1—C5—H5A | 118.5 | Ni1—O2—H2A | 138 (3) |
C4—C5—H5A | 118.5 | Ni1—O2—H2B | 114 (3) |
N3—C6—N2 | 114.0 (3) | H2A—O2—H2B | 107 (3) |
N3—C6—C4 | 121.9 (3) | H3A—O3—H3B | 111 (3) |
N2—C6—C4 | 124.1 (3) | ||
N1—C1—C2—C3 | 1.6 (6) | C4—C5—N1—C1 | −0.1 (5) |
C1—C2—C3—C4 | −0.3 (5) | C4—C5—N1—Ni1 | 174.5 (2) |
C2—C3—C4—C5 | −1.0 (5) | O1i—Ni1—N1—C1 | −129.6 (3) |
C2—C3—C4—C6 | 179.1 (3) | O1—Ni1—N1—C1 | 50.4 (3) |
C3—C4—C5—N1 | 1.3 (5) | O2—Ni1—N1—C1 | −41.0 (3) |
C6—C4—C5—N1 | −178.8 (3) | O2i—Ni1—N1—C1 | 139.0 (3) |
C3—C4—C6—N3 | 11.2 (5) | O1i—Ni1—N1—C5 | 56.0 (2) |
C5—C4—C6—N3 | −168.7 (3) | O1—Ni1—N1—C5 | −124.0 (2) |
C3—C4—C6—N2 | −169.8 (3) | O2—Ni1—N1—C5 | 144.6 (2) |
C5—C4—C6—N2 | 10.3 (5) | O2i—Ni1—N1—C5 | −35.4 (2) |
N4—C7—C8—C12 | 172.1 (3) | N3—C6—N2—C7 | −0.4 (4) |
N2—C7—C8—C12 | −7.2 (5) | C4—C6—N2—C7 | −179.4 (3) |
N4—C7—C8—C9 | −8.3 (5) | N4—C7—N2—C6 | 0.5 (4) |
N2—C7—C8—C9 | 172.4 (3) | C8—C7—N2—C6 | 179.8 (3) |
C12—C8—C9—C10 | −0.7 (6) | N2—C6—N3—N4 | 0.1 (4) |
C7—C8—C9—C10 | 179.7 (4) | C4—C6—N3—N4 | 179.2 (3) |
C8—C9—C10—N5 | −1.7 (7) | N2—C7—N4—N3 | −0.5 (4) |
N5—C11—C12—C8 | −2.7 (6) | C8—C7—N4—N3 | −179.8 (3) |
C9—C8—C12—C11 | 2.8 (5) | C6—N3—N4—C7 | 0.2 (3) |
C7—C8—C12—C11 | −177.6 (3) | C9—C10—N5—C11 | 2.0 (6) |
C2—C1—N1—C5 | −1.3 (5) | C12—C11—N5—C10 | 0.2 (6) |
C2—C1—N1—Ni1 | −175.7 (3) |
Symmetry code: (i) −x, −y+1, −z+1. |
D—H···A | D—H | H···A | D···A | D—H···A |
O1—H1A···N5ii | 0.83 (2) | 1.92 (3) | 2.751 (4) | 179 (3) |
O1—H1B···N3iii | 0.83 (3) | 1.95 (3) | 2.750 (4) | 162 (3) |
O2—H2A···O3iv | 0.83 (3) | 1.93 (3) | 2.751 (4) | 171 (3) |
O2—H2B···N4v | 0.84 (3) | 1.96 (3) | 2.791 (4) | 169 (3) |
O3—H3A···N2vi | 0.82 (5) | 2.10 (5) | 2.911 (4) | 170 (3) |
O3—H3B···N4vii | 0.82 (4) | 2.20 (5) | 2.944 (4) | 151 (3) |
Symmetry codes: (ii) x+1, y+1, z+1; (iii) x, y+1, z; (iv) −x+1, −y+1, −z+1; (v) −x, −y, −z+1; (vi) x+1, y, z; (vii) −x+1, −y, −z. |
Experimental details
Crystal data | |
Chemical formula | [Ni(C12H8N5)2(H2O)4]·2H2O |
Mr | 611.25 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 293 |
a, b, c (Å) | 8.2240 (16), 9.1990 (18), 9.3850 (19) |
α, β, γ (°) | 90.70 (3), 104.96 (3), 96.47 (3) |
V (Å3) | 680.9 (2) |
Z | 1 |
Radiation type | Mo Kα |
µ (mm−1) | 0.77 |
Crystal size (mm) | 0.20 × 0.12 × 0.08 |
Data collection | |
Diffractometer | Bruker SMART CCD area-detector diffractometer |
Absorption correction | Multi-scan (SADABS; Bruker, 1998)' |
Tmin, Tmax | 0.866, 0.943 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 4042, 2437, 2258 |
Rint | 0.040 |
(sin θ/λ)max (Å−1) | 0.600 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.052, 0.150, 0.99 |
No. of reflections | 2437 |
No. of parameters | 211 |
No. of restraints | 9 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.55, −0.85 |
Computer programs: SMART (Bruker, 1998), SAINT (Bruker, 1998), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).
D—H···A | D—H | H···A | D···A | D—H···A |
O1—H1A···N5i | 0.83 (2) | 1.92 (3) | 2.751 (4) | 179 (3) |
O1—H1B···N3ii | 0.83 (3) | 1.95 (3) | 2.750 (4) | 162 (3) |
O2—H2A···O3iii | 0.83 (3) | 1.93 (3) | 2.751 (4) | 171 (3) |
O2—H2B···N4iv | 0.84 (3) | 1.96 (3) | 2.791 (4) | 169 (3) |
O3—H3A···N2v | 0.82 (5) | 2.10 (5) | 2.911 (4) | 170 (3) |
O3—H3B···N4vi | 0.82 (4) | 2.20 (5) | 2.944 (4) | 151 (3) |
Symmetry codes: (i) x+1, y+1, z+1; (ii) x, y+1, z; (iii) −x+1, −y+1, −z+1; (iv) −x, −y, −z+1; (v) x+1, y, z; (vi) −x+1, −y, −z. |
Acknowledgements
We acknowledge financial support from the Foundation of Shaoyang Medical College (grant No. XK200804) and the Science & Technology Foundation of Shaoyang (grant Nos. 56 J08 & J0966)
References
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The hydrogen bond interaction plays a important role in some biological systems (Deisenhofer & Michel, 1989). Supramolecular assembly through hydrogen bonds has been extensively exploited to generate extended one-, two- and three-dimensional structures (Beatty et al., 2003; Li et al., 2006; Russell & Ward, 1996). As part of this ongoing work (Liu et al., 2009), We present here the synthesis and structural characterization of the title nickel complex, [Ni(C12H8N5)2(H2O)4].2H2O, (I).
The molecule of the title complex, (Fig. 1), is centrosymmetric, so pairs of equivalent ligands lie trans to each other in a slightly distorted octahedral coordination geometry, cis angles deviating from 90° by less than 2°. with Ni—O bond length in the range 2.063–2.083 Å and Ni—N bond length 2.094 Å. These bond distances compare well with those in the literature (Liu et al., 2008; Rarig et al., 2001). Molecules are linked by O—H···O and O—H···N hydrogen bonds (Fig. 2, Table 1).