metal-organic compounds
Hexaaquacadmium(II) bis[4-(2-hydroxybenzylideneamino)benzenesulfonate] dihydrate
aDepartment of Chemistry and Chemical Engineering, Weifang University, Weifang 261061, People's Republic of China, and bWeifang Institute of Supervision and Inspection of Product Quality, Weifang 261031, People's Republic of China
*Correspondence e-mail: taixishi@lzu.edu.cn
In the title compound, [Cd(H2O)6](C13H10NO4S)2·2H2O, the Cd atom (site symmetry ) adopts a regular octahedral coordination and the anion is stabilized by an intramolecular O—H⋯N hydrogen bond. O—H⋯O hydrogen bonds involving the coordinated and uncoordinated water molecules lead to a three-dimensional network.
Experimental
Crystal data
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Refinement
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Data collection: SMART (Bruker, 2000); cell SAINT (Bruker, 2000); 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/S1600536808010878/hb2722sup1.cif
contains datablocks global, I. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536808010878/hb2722Isup2.hkl
1 mmol of cadmium nitrate was added to a solution of salicylaldehyde-4-aminobenzene sulfonic acid (1 mmol) in 10 ml of 95% ethanol. The mixture was stirred for 2 h at refluxing temperature. Evaporating some ethanol, clear blocks of (I) were obtained after one weeks.
The H atoms were placed geometrically (C—H = 0.93–0.96 Å, O—H = 0.85Å) and refined as riding with Uiso(H) = 1.2Ueq(carrier).
Data collection: SMART (Bruker, 2000); cell
SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); 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. The molecular structure of (I) showing 50% displacement ellipsoids (arbitrary spheres for the H atoms). The hydrogen bonds are indicated by double-dashed lines. Symmetry code: (i) 1-x, 1-y, 1-z. |
[Cd(H2O)6](C13H10NO4S)2·2H2O | F(000) = 828 |
Mr = 809.09 | Dx = 1.626 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 4564 reflections |
a = 18.464 (2) Å | θ = 2.6–27.9° |
b = 6.1488 (8) Å | µ = 0.86 mm−1 |
c = 14.5701 (12) Å | T = 298 K |
β = 92.226 (2)° | Block, colourless |
V = 1652.9 (3) Å3 | 0.48 × 0.45 × 0.18 mm |
Z = 2 |
Bruker SMART CCD diffractometer | 2904 independent reflections |
Radiation source: fine-focus sealed tube | 2447 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.035 |
ω scans | θmax = 25.0°, θmin = 2.2° |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | h = −21→21 |
Tmin = 0.682, Tmax = 0.860 | k = −7→5 |
7936 measured reflections | l = −17→16 |
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)] = 0.028 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.075 | H-atom parameters constrained |
S = 1.06 | w = 1/[σ2(Fo2) + (0.0376P)2 + 0.6281P] where P = (Fo2 + 2Fc2)/3 |
2904 reflections | (Δ/σ)max < 0.001 |
214 parameters | Δρmax = 0.28 e Å−3 |
0 restraints | Δρmin = −0.60 e Å−3 |
[Cd(H2O)6](C13H10NO4S)2·2H2O | V = 1652.9 (3) Å3 |
Mr = 809.09 | Z = 2 |
Monoclinic, P21/c | Mo Kα radiation |
a = 18.464 (2) Å | µ = 0.86 mm−1 |
b = 6.1488 (8) Å | T = 298 K |
c = 14.5701 (12) Å | 0.48 × 0.45 × 0.18 mm |
β = 92.226 (2)° |
Bruker SMART CCD diffractometer | 2904 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | 2447 reflections with I > 2σ(I) |
Tmin = 0.682, Tmax = 0.860 | Rint = 0.035 |
7936 measured reflections |
R[F2 > 2σ(F2)] = 0.028 | 0 restraints |
wR(F2) = 0.075 | H-atom parameters constrained |
S = 1.06 | Δρmax = 0.28 e Å−3 |
2904 reflections | Δρmin = −0.60 e Å−3 |
214 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 | ||
Cd1 | 0.5000 | 0.5000 | 0.5000 | 0.03115 (11) | |
N1 | 0.00853 (11) | 0.8935 (4) | 0.61988 (16) | 0.0392 (5) | |
O1 | 0.35962 (10) | 0.9727 (3) | 0.59697 (14) | 0.0419 (5) | |
O2 | 0.34686 (10) | 0.9949 (3) | 0.76142 (14) | 0.0424 (5) | |
O3 | 0.33264 (10) | 1.3176 (3) | 0.66883 (14) | 0.0425 (5) | |
O4 | −0.09042 (11) | 0.6152 (4) | 0.56383 (17) | 0.0655 (7) | |
H4 | −0.0493 | 0.6618 | 0.5742 | 0.098* | |
O5 | 0.50034 (11) | 0.1696 (3) | 0.56929 (14) | 0.0472 (5) | |
H5A | 0.4573 | 0.1274 | 0.5779 | 0.057* | |
H5B | 0.5235 | 0.1750 | 0.6208 | 0.057* | |
O6 | 0.46644 (10) | 0.3400 (3) | 0.36324 (12) | 0.0425 (5) | |
H6A | 0.4997 | 0.3570 | 0.3251 | 0.051* | |
H6B | 0.4279 | 0.3987 | 0.3412 | 0.051* | |
O7 | 0.38005 (10) | 0.5588 (3) | 0.52336 (13) | 0.0415 (5) | |
H7A | 0.3745 | 0.6886 | 0.5418 | 0.050* | |
H7B | 0.3663 | 0.4736 | 0.5652 | 0.050* | |
O8 | 0.42645 (10) | 0.6168 (3) | 0.76420 (13) | 0.0462 (5) | |
H8A | 0.4035 | 0.7366 | 0.7646 | 0.055* | |
H8B | 0.4000 | 0.5230 | 0.7362 | 0.055* | |
S1 | 0.32404 (3) | 1.08214 (11) | 0.67158 (5) | 0.03098 (16) | |
C1 | 0.23015 (14) | 1.0294 (4) | 0.65692 (18) | 0.0296 (6) | |
C2 | 0.18127 (14) | 1.1822 (5) | 0.6840 (2) | 0.0463 (8) | |
H2 | 0.1976 | 1.3125 | 0.7098 | 0.056* | |
C3 | 0.10786 (15) | 1.1428 (5) | 0.6730 (2) | 0.0523 (9) | |
H3 | 0.0749 | 1.2470 | 0.6912 | 0.063* | |
C4 | 0.08304 (14) | 0.9485 (5) | 0.63495 (19) | 0.0343 (6) | |
C5 | 0.13250 (15) | 0.7954 (5) | 0.6086 (2) | 0.0447 (7) | |
H5 | 0.1163 | 0.6647 | 0.5830 | 0.054* | |
C6 | 0.20627 (14) | 0.8343 (5) | 0.6199 (2) | 0.0440 (7) | |
H6 | 0.2395 | 0.7296 | 0.6027 | 0.053* | |
C7 | −0.04225 (15) | 1.0304 (5) | 0.6320 (2) | 0.0406 (7) | |
H7 | −0.0302 | 1.1709 | 0.6507 | 0.049* | |
C8 | −0.11807 (14) | 0.9738 (4) | 0.61762 (19) | 0.0368 (7) | |
C9 | −0.13909 (15) | 0.7700 (5) | 0.5839 (2) | 0.0437 (7) | |
C10 | −0.21291 (15) | 0.7219 (5) | 0.5712 (2) | 0.0522 (8) | |
H10 | −0.2273 | 0.5861 | 0.5491 | 0.063* | |
C11 | −0.26382 (16) | 0.8743 (6) | 0.5911 (2) | 0.0521 (8) | |
H11 | −0.3127 | 0.8403 | 0.5826 | 0.063* | |
C12 | −0.24418 (16) | 1.0779 (6) | 0.6235 (2) | 0.0529 (8) | |
H12 | −0.2793 | 1.1808 | 0.6361 | 0.064* | |
C13 | −0.17160 (15) | 1.1260 (5) | 0.6369 (2) | 0.0464 (7) | |
H13 | −0.1580 | 1.2623 | 0.6592 | 0.056* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cd1 | 0.03180 (16) | 0.03028 (17) | 0.03128 (16) | 0.00014 (11) | 0.00026 (11) | −0.00045 (11) |
N1 | 0.0266 (12) | 0.0439 (14) | 0.0467 (14) | −0.0041 (11) | −0.0031 (10) | −0.0035 (11) |
O1 | 0.0316 (10) | 0.0456 (12) | 0.0490 (12) | −0.0008 (8) | 0.0082 (9) | −0.0114 (9) |
O2 | 0.0331 (10) | 0.0496 (13) | 0.0438 (12) | −0.0010 (8) | −0.0079 (9) | 0.0034 (9) |
O3 | 0.0378 (10) | 0.0300 (10) | 0.0600 (13) | −0.0074 (8) | 0.0050 (9) | −0.0035 (9) |
O4 | 0.0424 (12) | 0.0513 (14) | 0.102 (2) | −0.0018 (11) | −0.0095 (12) | −0.0244 (14) |
O5 | 0.0534 (12) | 0.0412 (12) | 0.0463 (12) | −0.0071 (10) | −0.0058 (9) | 0.0082 (9) |
O6 | 0.0426 (11) | 0.0443 (11) | 0.0399 (11) | 0.0034 (9) | −0.0062 (9) | −0.0043 (9) |
O7 | 0.0358 (10) | 0.0384 (11) | 0.0508 (12) | 0.0016 (9) | 0.0067 (9) | −0.0007 (9) |
O8 | 0.0505 (12) | 0.0381 (12) | 0.0492 (12) | 0.0031 (9) | −0.0094 (9) | −0.0032 (9) |
S1 | 0.0249 (3) | 0.0302 (3) | 0.0378 (4) | −0.0031 (3) | 0.0007 (3) | −0.0016 (3) |
C1 | 0.0258 (13) | 0.0322 (15) | 0.0306 (13) | −0.0012 (11) | 0.0004 (10) | −0.0005 (11) |
C2 | 0.0330 (15) | 0.0418 (17) | 0.064 (2) | −0.0024 (13) | −0.0032 (14) | −0.0210 (15) |
C3 | 0.0283 (14) | 0.052 (2) | 0.076 (2) | 0.0050 (14) | −0.0011 (14) | −0.0259 (17) |
C4 | 0.0285 (14) | 0.0411 (16) | 0.0332 (14) | −0.0034 (12) | −0.0013 (11) | −0.0016 (12) |
C5 | 0.0329 (14) | 0.0346 (16) | 0.066 (2) | −0.0045 (13) | −0.0012 (13) | −0.0125 (14) |
C6 | 0.0294 (14) | 0.0326 (16) | 0.070 (2) | −0.0018 (12) | 0.0036 (13) | −0.0113 (14) |
C7 | 0.0344 (15) | 0.0415 (17) | 0.0458 (17) | −0.0083 (13) | 0.0000 (13) | 0.0011 (13) |
C8 | 0.0274 (14) | 0.0446 (18) | 0.0384 (15) | −0.0035 (12) | −0.0001 (11) | 0.0035 (12) |
C9 | 0.0354 (15) | 0.0475 (18) | 0.0477 (17) | −0.0032 (14) | −0.0036 (13) | 0.0003 (14) |
C10 | 0.0398 (17) | 0.055 (2) | 0.061 (2) | −0.0140 (15) | −0.0127 (14) | 0.0020 (16) |
C11 | 0.0293 (15) | 0.076 (3) | 0.0501 (19) | −0.0080 (16) | −0.0062 (13) | 0.0125 (17) |
C12 | 0.0331 (16) | 0.069 (2) | 0.057 (2) | 0.0102 (16) | 0.0052 (14) | 0.0098 (17) |
C13 | 0.0389 (16) | 0.0487 (19) | 0.0517 (18) | 0.0001 (14) | 0.0025 (13) | 0.0026 (14) |
Cd1—O5 | 2.2684 (19) | C1—C2 | 1.371 (4) |
Cd1—O5i | 2.2684 (19) | C1—C6 | 1.380 (4) |
Cd1—O7 | 2.2826 (18) | C2—C3 | 1.380 (4) |
Cd1—O7i | 2.2826 (18) | C2—H2 | 0.9300 |
Cd1—O6i | 2.2862 (17) | C3—C4 | 1.388 (4) |
Cd1—O6 | 2.2862 (17) | C3—H3 | 0.9300 |
N1—C7 | 1.278 (4) | C4—C5 | 1.377 (4) |
N1—C4 | 1.425 (3) | C5—C6 | 1.386 (4) |
O1—S1 | 1.4565 (19) | C5—H5 | 0.9300 |
O2—S1 | 1.462 (2) | C6—H6 | 0.9300 |
O3—S1 | 1.4570 (19) | C7—C8 | 1.450 (4) |
O4—C9 | 1.349 (4) | C7—H7 | 0.9300 |
O4—H4 | 0.8200 | C8—C9 | 1.395 (4) |
O5—H5A | 0.8499 | C8—C13 | 1.398 (4) |
O5—H5B | 0.8501 | C9—C10 | 1.400 (4) |
O6—H6A | 0.8500 | C10—C11 | 1.366 (4) |
O6—H6B | 0.8501 | C10—H10 | 0.9300 |
O7—H7A | 0.8500 | C11—C12 | 1.381 (5) |
O7—H7B | 0.8500 | C11—H11 | 0.9300 |
O8—H8A | 0.8499 | C12—C13 | 1.379 (4) |
O8—H8B | 0.8499 | C12—H12 | 0.9300 |
S1—C1 | 1.768 (3) | C13—H13 | 0.9300 |
O5—Cd1—O5i | 180.0 | C1—C2—C3 | 120.1 (3) |
O5—Cd1—O7 | 93.52 (7) | C1—C2—H2 | 120.0 |
O5i—Cd1—O7 | 86.48 (7) | C3—C2—H2 | 120.0 |
O5—Cd1—O7i | 86.48 (7) | C2—C3—C4 | 120.3 (3) |
O5i—Cd1—O7i | 93.52 (7) | C2—C3—H3 | 119.8 |
O7—Cd1—O7i | 180.0 | C4—C3—H3 | 119.8 |
O5—Cd1—O6i | 90.09 (7) | C5—C4—C3 | 119.2 (2) |
O5i—Cd1—O6i | 89.91 (7) | C5—C4—N1 | 116.2 (2) |
O7—Cd1—O6i | 91.93 (7) | C3—C4—N1 | 124.6 (3) |
O7i—Cd1—O6i | 88.07 (7) | C4—C5—C6 | 120.5 (3) |
O5—Cd1—O6 | 89.91 (7) | C4—C5—H5 | 119.7 |
O5i—Cd1—O6 | 90.09 (7) | C6—C5—H5 | 119.7 |
O7—Cd1—O6 | 88.07 (7) | C1—C6—C5 | 119.6 (3) |
O7i—Cd1—O6 | 91.93 (7) | C1—C6—H6 | 120.2 |
O6i—Cd1—O6 | 180.0 | C5—C6—H6 | 120.2 |
C7—N1—C4 | 122.1 (2) | N1—C7—C8 | 122.1 (3) |
C9—O4—H4 | 109.5 | N1—C7—H7 | 119.0 |
Cd1—O5—H5A | 110.6 | C8—C7—H7 | 119.0 |
Cd1—O5—H5B | 110.5 | C9—C8—C13 | 118.9 (3) |
H5A—O5—H5B | 108.8 | C9—C8—C7 | 121.4 (3) |
Cd1—O6—H6A | 109.8 | C13—C8—C7 | 119.7 (3) |
Cd1—O6—H6B | 110.0 | O4—C9—C8 | 122.1 (2) |
H6A—O6—H6B | 108.4 | O4—C9—C10 | 118.4 (3) |
Cd1—O7—H7A | 109.0 | C8—C9—C10 | 119.5 (3) |
Cd1—O7—H7B | 109.2 | C11—C10—C9 | 120.1 (3) |
H7A—O7—H7B | 107.9 | C11—C10—H10 | 120.0 |
H8A—O8—H8B | 108.3 | C9—C10—H10 | 120.0 |
O1—S1—O3 | 112.68 (12) | C10—C11—C12 | 121.4 (3) |
O1—S1—O2 | 112.09 (12) | C10—C11—H11 | 119.3 |
O3—S1—O2 | 111.19 (12) | C12—C11—H11 | 119.3 |
O1—S1—C1 | 107.08 (12) | C13—C12—C11 | 118.9 (3) |
O3—S1—C1 | 106.63 (11) | C13—C12—H12 | 120.5 |
O2—S1—C1 | 106.74 (12) | C11—C12—H12 | 120.5 |
C2—C1—C6 | 120.2 (2) | C12—C13—C8 | 121.2 (3) |
C2—C1—S1 | 119.5 (2) | C12—C13—H13 | 119.4 |
C6—C1—S1 | 120.2 (2) | C8—C13—H13 | 119.4 |
O1—S1—C1—C2 | −148.3 (2) | S1—C1—C6—C5 | −179.8 (2) |
O3—S1—C1—C2 | −27.4 (3) | C4—C5—C6—C1 | −0.8 (5) |
O2—S1—C1—C2 | 91.5 (2) | C4—N1—C7—C8 | −179.3 (3) |
O1—S1—C1—C6 | 32.8 (3) | N1—C7—C8—C9 | −4.2 (4) |
O3—S1—C1—C6 | 153.7 (2) | N1—C7—C8—C13 | 176.4 (3) |
O2—S1—C1—C6 | −87.4 (2) | C13—C8—C9—O4 | −180.0 (3) |
C6—C1—C2—C3 | −1.0 (5) | C7—C8—C9—O4 | 0.6 (4) |
S1—C1—C2—C3 | −179.9 (3) | C13—C8—C9—C10 | −0.7 (4) |
C1—C2—C3—C4 | 0.2 (5) | C7—C8—C9—C10 | 179.9 (3) |
C2—C3—C4—C5 | 0.3 (5) | O4—C9—C10—C11 | 179.7 (3) |
C2—C3—C4—N1 | −179.3 (3) | C8—C9—C10—C11 | 0.5 (5) |
C7—N1—C4—C5 | −172.3 (3) | C9—C10—C11—C12 | 0.3 (5) |
C7—N1—C4—C3 | 7.3 (5) | C10—C11—C12—C13 | −0.8 (5) |
C3—C4—C5—C6 | 0.0 (5) | C11—C12—C13—C8 | 0.5 (5) |
N1—C4—C5—C6 | 179.6 (3) | C9—C8—C13—C12 | 0.2 (4) |
C2—C1—C6—C5 | 1.3 (4) | C7—C8—C13—C12 | 179.6 (3) |
Symmetry code: (i) −x+1, −y+1, −z+1. |
D—H···A | D—H | H···A | D···A | D—H···A |
O4—H4···N1 | 0.82 | 1.89 | 2.611 (3) | 147 |
O5—H5A···O1ii | 0.85 | 2.07 | 2.909 (3) | 170 |
O5—H5B···O8iii | 0.85 | 1.92 | 2.750 (3) | 167 |
O6—H6A···O8i | 0.85 | 1.93 | 2.778 (3) | 177 |
O6—H6B···O2iv | 0.85 | 1.97 | 2.802 (3) | 166 |
O7—H7A···O1 | 0.85 | 1.95 | 2.793 (3) | 174 |
O7—H7B···O3ii | 0.85 | 1.91 | 2.757 (3) | 172 |
O8—H8A···O2 | 0.85 | 1.90 | 2.750 (3) | 176 |
O8—H8B···O3ii | 0.85 | 2.00 | 2.851 (3) | 176 |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x, y−1, z; (iii) −x+1, y−1/2, −z+3/2; (iv) x, −y+3/2, z−1/2. |
Experimental details
Crystal data | |
Chemical formula | [Cd(H2O)6](C13H10NO4S)2·2H2O |
Mr | 809.09 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 298 |
a, b, c (Å) | 18.464 (2), 6.1488 (8), 14.5701 (12) |
β (°) | 92.226 (2) |
V (Å3) | 1652.9 (3) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 0.86 |
Crystal size (mm) | 0.48 × 0.45 × 0.18 |
Data collection | |
Diffractometer | Bruker SMART CCD diffractometer |
Absorption correction | Multi-scan (SADABS; Bruker, 2000) |
Tmin, Tmax | 0.682, 0.860 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 7936, 2904, 2447 |
Rint | 0.035 |
(sin θ/λ)max (Å−1) | 0.595 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.028, 0.075, 1.06 |
No. of reflections | 2904 |
No. of parameters | 214 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.28, −0.60 |
Computer programs: SMART (Bruker, 2000), SAINT (Bruker, 2000), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).
D—H···A | D—H | H···A | D···A | D—H···A |
O4—H4···N1 | 0.82 | 1.89 | 2.611 (3) | 147 |
O5—H5A···O1i | 0.85 | 2.07 | 2.909 (3) | 170 |
O5—H5B···O8ii | 0.85 | 1.92 | 2.750 (3) | 167 |
O6—H6A···O8iii | 0.85 | 1.93 | 2.778 (3) | 177 |
O6—H6B···O2iv | 0.85 | 1.97 | 2.802 (3) | 166 |
O7—H7A···O1 | 0.85 | 1.95 | 2.793 (3) | 174 |
O7—H7B···O3i | 0.85 | 1.91 | 2.757 (3) | 172 |
O8—H8A···O2 | 0.85 | 1.90 | 2.750 (3) | 176 |
O8—H8B···O3i | 0.85 | 2.00 | 2.851 (3) | 176 |
Symmetry codes: (i) x, y−1, z; (ii) −x+1, y−1/2, −z+3/2; (iii) −x+1, −y+1, −z+1; (iv) x, −y+3/2, z−1/2. |
Acknowledgements
The authors thank the National Natural Science Foundation of China (grant No. 20671073), the National Natural Science Foundation of Shandong (grant No. Y2007B60), the Science and Technology Foundation of Weifang and Weifang University for research grants.
References
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As part of our ongoing studies of the synthesis and coordination chemistry of Schiff-base ligands (e.g. Tai et al., 2008), we now report the synthesis and structure of the title compound, (I), (Fig. 1), in which the organic species does not coordiate to the metal and a hydrated molecular salt arises.
The Cd atom (site symmetry 1) in (I) is bonded to six water molecules (Table 1). The anion is stablisied by an intramolecular O-H···N hydrogen bond (Table 2), which perhaps correlates with the fact that the aromatic rings are almost co-planar [dihedral angle = 4.09 (14)°].
The water molecules, both bound and unbound, participate in O-H···O hydrogen bonds to link the component speices into a three-dimensional network.