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Acta Cryst. (2007). E63, m2475    [ doi:10.1107/S1600536807042717 ]

Di-[mu]-chlorido-bis[chlorido(di-2-pyridylmethanediol-[kappa]3N,N',O)cadmium(II)] trihydrate

Y.-M. Li, J.-L. Zhang and X.-W. Zhao

Abstract top

In the title compound, [Cd2Cl4(C11H10N2O2)2]·3H2O, each metal atom is coordinated by an N,O,N'-chelated di-2-pyridylmethanediol ligand, two bridging chloride ligands and one terminal chloride ligand in a distorted octahedral geometry. Two isomers of centrosymmetric dinuclear complexes, [alpha] and [beta], are observed; the asymmetric unit contains two half-molecules of the complex and three water molecules. In the [alpha] isomer, the Cd...Cd distance and O-Cd-Clterminal angle are 3.8048 (7) Å and 160.09 (5)°, respectively. In the [beta] isomer, the same geometric parameters are 3.7281 (7) Å and 88.84 (6)°, respectively.

Comment top

The coordination behavior of di-2-pyridylketone [(C5H4N)2CO, dpk] and its hydrolyzed derivative, di-2-pyridylmethanediol [(C5H4N)2C(OH)2, dpd], have attracted much attention. Based on dpd, one dinuclear cadmium complex with Br has been reported (Zhu et al., 2000). Herein we present the similar dinuclear cadmium compoud with Cl - the title compound, (I).

The structure of (I) contains two kinds of neutral conformational isomers, α-Cd2(C11H10N2O2)2Cl4 and β-Cd2(C11H10N2O2)2Cl4, and crystalline water molecules (Fig. 1). Each isomer is centrosymmetric. Both of them contain di-2-chloro bridging between the two metal atoms, and each metal atom is also bonded to a terminal chloro ligand and capped by the organic dpd ligand in an N,N',O -tridentate mode, resulting in a distorted octahedral coordination environment. In α isomer, the terminal chloro atom is trans oriented to the oxygen atom of dpd with respect to the bridge plane and the Cl1—Cd1—O1 angle is 160.09 (5) ° (Table 1), while the Cl3—Cd2—O4 angle is 88.84 (6) ° in β isomer. The Cd···Cd distances are 3.8048 (7) and 3.7281 (7) Å, respectively, in α- and β-isomers.

The crystal structure is stabilized by O—H···O and O—H···Cl hydrogen bonds (Table 2, Fig. 2) involving the hydroxyl groups, crystalline water molecules and terminal Cl ligands.

Related literature top

One similar dinuclear Cd complex with Br has been reported by Zhu et al. (2000).

Experimental top

The title compound was synthesized by refluxing a 20 ml EtOH/H2O solution (3:1, v/v) of CdCl2·2.5H2O (0.458 g, 2 mmol), di-2-pyridylketone (0.185 g, 1 mmol) for 1 h with stirring. After cooling, the solution was filtered. Colourless prism crystals of (I) were obtained by slow evaporation of the colourless filtrate for several days. Yield: 60.6% based on di-2-pyridylketone (0.250 g). (Anal. Calcd. for C22H26Cd2Cl4N4O7: C, 32.03; H, 3.18; N 6.79. Found: C, 31.89; H, 3.23; N 6.65%). IR (KBr pellet, cm−1): v(OH) 3430, v(C–O) 1600, v(C═N, C═C) 1467, 1441, 1384.

Refinement top

The C-bound H-atoms were positioned geometrically (C—H 0.93 Å), and treated as riding with Uiso(H) = 1.2 Ueq(C). H atoms of the water molecules were located in a difference Fourier map and isotropically refined with the O—H distance restrained to 0.85 (4) Å. The hydroxy H atoms were positioned geometrically (O—H 0.82 Å), and treated as riding with Uiso(H) = 1.5 Ueq(O).

Computing details top

Data collection: CrystalClear (Rigaku, 2000); cell refinement: CrystalClear (Rigaku, 2000); data reduction: CrystalClear (Rigaku, 2000); program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 1997); software used to prepare material for publication: SHELXTL (Sheldrick, 1997).

Figures top
[Figure 1] Fig. 1. The molecular structure of (I) showing the atomic numbering and 30% probability displacement ellipsoids [symmetry codes: (A) −x, −y, −z; (B) 2 − x, 1 − y, 1 − z]. The crystalline water molecules and H-atoms omitted for clarity.
[Figure 2] Fig. 2. A view of the crystal packing along the b axis. Hydrogen bonds are shown as dashed lines.
Di-µ-chlorido-bis[chlorido(di-2-pyridylmethanediol-κ3N,N',O)cadmium(II)] trihydrate top
Crystal data top
[Cd2Cl4(C11H10N2O2)2]·3H2OZ = 2
Mr = 825.07F000 = 812
Triclinic, P1Dx = 1.868 Mg m−3
a = 8.1634 (1) ÅMo Kα radiation
λ = 0.71073 Å
b = 9.7180 (1) ÅCell parameters from 3698 reflections
c = 19.6761 (2) Åθ = 3.2–27.5º
α = 100.453 (7)ºµ = 1.86 mm−1
β = 92.230 (11)ºT = 293 (2) K
γ = 106.272 (8)ºPrism, colourless
V = 1466.87 (8) Å30.22 × 0.20 × 0.20 mm
Data collection top
Rigaku Mercury CCD
diffractometer		6631 independent reflections
Radiation source: fine-focus sealed tube5655 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.017
T = 293(2) Kθmax = 27.5º
ω scansθmin = 3.2º
Absorption correction: multi-scan
(CrystalClear; Rigaku, 2000)		h = −10→7
Tmin = 0.744, Tmax = 0.989k = −11→12
11364 measured reflectionsl = −25→25
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.033H atoms treated by a mixture of
independent and constrained refinement
wR(F2) = 0.080  w = 1/[σ2(Fo2) + (0.0361P)2 + 0.9676P]
where P = (Fo2 + 2Fc2)/3
S = 1.06(Δ/σ)max = 0.004
6631 reflectionsΔρmax = 0.78 e Å−3
373 parametersΔρmin = −0.80 e Å−3
6 restraintsExtinction correction: none
Primary atom site location: structure-invariant direct methods
Crystal data top
[Cd2Cl4(C11H10N2O2)2]·3H2Oγ = 106.272 (8)º
Mr = 825.07V = 1466.87 (8) Å3
Triclinic, P1Z = 2
a = 8.1634 (1) ÅMo Kα
b = 9.7180 (1) ŵ = 1.86 mm−1
c = 19.6761 (2) ÅT = 293 (2) K
α = 100.453 (7)º0.22 × 0.20 × 0.20 mm
β = 92.230 (11)º
Data collection top
Rigaku Mercury CCD
diffractometer		6631 independent reflections
Absorption correction: multi-scan
(CrystalClear; Rigaku, 2000)		5655 reflections with I > 2σ(I)
Tmin = 0.744, Tmax = 0.989Rint = 0.017
11364 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0336 restraints
wR(F2) = 0.080H atoms treated by a mixture of
independent and constrained refinement
S = 1.06Δρmax = 0.78 e Å−3
6631 reflectionsΔρmin = −0.80 e Å−3
373 parameters
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cd10.12516 (3)0.16234 (2)0.069775 (11)0.03408 (7)
Cd20.88520 (3)0.34097 (3)0.537679 (12)0.04439 (8)
Cl10.34946 (12)0.07703 (10)0.12495 (5)0.0496 (2)
Cl20.12820 (12)0.08617 (8)−0.06028 (4)0.0454 (2)
Cl30.90828 (13)0.13407 (11)0.44696 (5)0.0555 (2)
Cl41.19742 (11)0.50737 (11)0.55079 (4)0.0497 (2)
C10.4615 (4)0.4596 (4)0.09048 (18)0.0413 (7)
H9A0.52160.39060.08330.050*
C20.5530 (4)0.6055 (4)0.10414 (19)0.0462 (8)
H11A0.67200.63440.10590.055*
C30.4642 (4)0.7079 (4)0.11517 (18)0.0423 (7)
H16A0.52270.80730.12450.051*
C40.2877 (4)0.6612 (3)0.11222 (16)0.0344 (6)
H17A0.22580.72880.11990.041*
C50.2041 (3)0.5132 (3)0.09775 (13)0.0261 (5)
C60.0099 (3)0.4529 (3)0.09272 (14)0.0258 (5)
C7−0.0475 (4)0.3887 (3)0.15610 (14)0.0278 (6)
C8−0.1184 (4)0.4594 (4)0.20905 (16)0.0383 (7)
H12A−0.13060.55130.20790.046*
C9−0.1709 (5)0.3918 (4)0.26377 (17)0.0493 (9)
H10A−0.21760.43790.30040.059*
C10−0.1529 (5)0.2552 (5)0.26312 (19)0.0571 (10)
H6A−0.18930.20630.29880.068*
C11−0.0806 (6)0.1923 (4)0.20897 (19)0.0555 (10)
H2B−0.06920.09960.20870.067*
C121.0703 (4)0.2108 (4)0.65684 (18)0.0434 (7)
H7A1.16510.23320.63170.052*
C131.0857 (5)0.1573 (4)0.71639 (18)0.0474 (8)
H13A1.18850.14350.73120.057*
C140.9443 (5)0.1247 (4)0.75334 (18)0.0476 (8)
H8A0.95190.09190.79460.057*
C150.7918 (5)0.1410 (4)0.72893 (17)0.0439 (8)
H15A0.69460.11650.75250.053*
C160.7863 (4)0.1945 (3)0.66889 (15)0.0360 (7)
C170.6250 (4)0.2239 (4)0.64035 (16)0.0403 (7)
C180.6458 (4)0.3874 (4)0.65905 (16)0.0376 (7)
C190.5705 (5)0.4500 (4)0.71349 (18)0.0491 (8)
H5A0.50140.39210.74030.059*
C200.5994 (5)0.5989 (5)0.7273 (2)0.0571 (10)
H4A0.55070.64350.76370.069*
C210.7017 (6)0.6814 (5)0.6863 (2)0.0626 (11)
H1A0.72120.78230.69400.075*
C220.7744 (6)0.6122 (5)0.6337 (2)0.0588 (10)
H3B0.84450.66830.60660.071*
N10.2894 (3)0.4120 (3)0.08710 (13)0.0313 (5)
N2−0.0253 (4)0.2578 (3)0.15643 (13)0.0371 (6)
N30.9250 (4)0.2317 (3)0.63383 (13)0.0392 (6)
N40.7482 (4)0.4674 (3)0.62011 (15)0.0461 (7)
O1−0.0368 (3)0.3405 (2)0.03214 (10)0.0312 (4)
H1B−0.13610.29080.03250.047*
O2−0.0707 (3)0.5609 (2)0.08952 (11)0.0346 (5)
H2A−0.04540.59590.05510.052*
O30.4792 (3)0.1514 (3)0.66786 (13)0.0513 (6)
H3A0.46390.06290.65710.077*
O40.6143 (3)0.1775 (3)0.56695 (11)0.0463 (6)
H4B0.51950.17360.54990.069*
O50.3165 (5)0.1509 (6)0.4914 (2)0.0882 (11)
H50.323 (9)0.241 (2)0.504 (3)0.12 (3)*
H5B0.219 (3)0.094 (5)0.494 (3)0.10 (3)*
O60.6482 (4)0.1664 (3)0.02199 (17)0.0596 (7)
H60.612 (7)0.137 (6)0.0581 (18)0.11 (3)*
H6B0.646 (7)0.096 (4)−0.011 (2)0.11 (2)*
O70.4677 (5)0.8691 (4)0.62350 (19)0.0735 (9)
H7C0.369 (4)0.844 (8)0.601 (3)0.14 (3)*
H7B0.530 (10)0.855 (10)0.591 (3)0.17 (4)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.03876 (13)0.02852 (11)0.03738 (12)0.01258 (9)0.00889 (9)0.00729 (9)
Cd20.04591 (15)0.05942 (17)0.03354 (13)0.01892 (12)0.01373 (10)0.01615 (11)
Cl10.0498 (5)0.0502 (5)0.0578 (5)0.0239 (4)0.0051 (4)0.0190 (4)
Cl20.0534 (5)0.0352 (4)0.0396 (4)−0.0006 (3)0.0168 (4)0.0065 (3)
Cl30.0609 (6)0.0567 (5)0.0496 (5)0.0190 (4)0.0167 (4)0.0072 (4)
Cl40.0445 (5)0.0677 (6)0.0401 (4)0.0151 (4)0.0053 (3)0.0207 (4)
C10.0272 (15)0.0465 (18)0.057 (2)0.0179 (14)0.0084 (14)0.0147 (15)
C20.0229 (15)0.052 (2)0.061 (2)0.0038 (14)0.0080 (14)0.0173 (17)
C30.0339 (17)0.0360 (17)0.054 (2)0.0022 (13)0.0032 (14)0.0130 (14)
C40.0340 (15)0.0299 (14)0.0400 (16)0.0105 (12)0.0053 (13)0.0061 (12)
C50.0243 (13)0.0295 (13)0.0259 (13)0.0084 (11)0.0041 (10)0.0081 (10)
C60.0267 (13)0.0261 (13)0.0270 (13)0.0109 (11)0.0043 (10)0.0061 (10)
C70.0248 (13)0.0312 (14)0.0273 (13)0.0068 (11)0.0037 (11)0.0074 (11)
C80.0411 (17)0.0418 (17)0.0362 (16)0.0185 (14)0.0108 (13)0.0067 (13)
C90.053 (2)0.066 (2)0.0335 (17)0.0239 (18)0.0173 (15)0.0089 (16)
C100.071 (3)0.071 (3)0.0400 (19)0.025 (2)0.0247 (18)0.0274 (18)
C110.081 (3)0.051 (2)0.049 (2)0.029 (2)0.023 (2)0.0278 (17)
C120.0378 (18)0.0492 (19)0.0459 (18)0.0172 (15)0.0091 (14)0.0083 (15)
C130.053 (2)0.050 (2)0.049 (2)0.0278 (17)0.0050 (16)0.0127 (16)
C140.065 (2)0.0461 (19)0.0416 (18)0.0259 (17)0.0062 (17)0.0171 (15)
C150.052 (2)0.0460 (19)0.0406 (17)0.0201 (16)0.0167 (15)0.0148 (14)
C160.0388 (17)0.0394 (16)0.0323 (15)0.0141 (14)0.0103 (13)0.0080 (12)
C170.0359 (17)0.0533 (19)0.0336 (15)0.0144 (15)0.0119 (13)0.0096 (14)
C180.0332 (16)0.0513 (19)0.0330 (15)0.0178 (14)0.0051 (12)0.0114 (13)
C190.045 (2)0.064 (2)0.0419 (18)0.0218 (18)0.0113 (15)0.0092 (16)
C200.056 (2)0.070 (3)0.050 (2)0.031 (2)0.0089 (18)0.0038 (19)
C210.070 (3)0.055 (2)0.068 (3)0.029 (2)0.004 (2)0.010 (2)
C220.068 (3)0.059 (2)0.059 (2)0.025 (2)0.016 (2)0.0250 (19)
N10.0268 (12)0.0321 (12)0.0392 (13)0.0140 (10)0.0066 (10)0.0084 (10)
N20.0449 (15)0.0359 (13)0.0357 (13)0.0155 (12)0.0121 (11)0.0132 (11)
N30.0405 (15)0.0449 (15)0.0354 (13)0.0156 (12)0.0108 (11)0.0100 (11)
N40.0534 (18)0.0530 (17)0.0403 (15)0.0225 (14)0.0147 (13)0.0177 (13)
O10.0290 (10)0.0350 (10)0.0278 (10)0.0071 (8)0.0040 (8)0.0048 (8)
O20.0330 (11)0.0394 (11)0.0423 (12)0.0212 (9)0.0114 (9)0.0174 (9)
O30.0374 (13)0.0594 (15)0.0582 (15)0.0116 (11)0.0201 (11)0.0154 (12)
O40.0367 (13)0.0643 (16)0.0358 (12)0.0143 (11)0.0071 (10)0.0045 (11)
O50.0504 (19)0.134 (4)0.094 (3)0.031 (2)0.0098 (19)0.049 (3)
O60.0455 (15)0.0456 (15)0.076 (2)0.0007 (12)0.0092 (14)0.0007 (14)
O70.073 (2)0.069 (2)0.068 (2)0.0071 (18)−0.0006 (18)0.0113 (16)
Geometric parameters (Å, °) top
Cd1—N22.346 (3)C11—N21.339 (4)
Cd1—N12.375 (2)C11—H2B0.9300
Cd1—Cl12.4983 (9)C12—N31.334 (4)
Cd1—O12.639 (2)C12—C131.380 (5)
Cd1—Cl22.5348 (8)C12—H7A0.9300
Cd1—Cl2i2.6744 (8)C13—C141.381 (5)
Cd2—N42.362 (3)C13—H13A0.9300
Cd2—N32.385 (3)C14—C151.377 (5)
Cd2—Cl32.4902 (10)C14—H8A0.9300
Cd2—O42.491 (2)C15—C161.378 (4)
Cd2—Cl42.5818 (10)C15—H15A0.9300
Cd2—Cl4ii2.6560 (9)C16—N31.346 (4)
Cl2—Cd1i2.6744 (8)C16—C171.531 (5)
Cl4—Cd2ii2.6560 (9)C17—O31.387 (4)
C1—N11.345 (4)C17—O41.424 (4)
C1—C21.376 (5)C17—C181.523 (5)
C1—H9A0.9300C18—N41.339 (4)
C2—C31.378 (5)C18—C191.386 (5)
C2—H11A0.9300C19—C201.373 (6)
C3—C41.380 (4)C19—H5A0.9300
C3—H16A0.9300C20—C211.380 (6)
C4—C51.379 (4)C20—H4A0.9300
C4—H17A0.9300C21—C221.376 (6)
C5—N11.348 (3)C21—H1A0.9300
C5—C61.521 (4)C22—N41.337 (5)
C6—O21.396 (3)C22—H3B0.9300
C6—O11.420 (3)O1—H1B0.8200
C6—C71.526 (4)O2—H2A0.8200
C7—N21.336 (4)O3—H3A0.8200
C7—C81.379 (4)O4—H4B0.8200
C8—C91.382 (5)O5—H50.85 (4)
C8—H12A0.9300O5—H5B0.84 (3)
C9—C101.374 (5)O6—H60.85 (4)
C9—H10A0.9300O6—H6B0.85 (4)
C10—C111.369 (5)O7—H7C0.85 (4)
C10—H6A0.9300O7—H7B0.85 (5)
N2—Cd1—N181.85 (8)C9—C10—H6A120.6
N2—Cd1—Cl1109.16 (7)N2—C11—C10123.1 (3)
N1—Cd1—Cl196.06 (6)N2—C11—H2B118.4
N2—Cd1—Cl2143.92 (7)C10—C11—H2B118.4
N1—Cd1—Cl2100.22 (6)N3—C12—C13122.7 (3)
Cl1—Cd1—Cl2106.43 (3)N3—C12—H7A118.6
N2—Cd1—O165.70 (7)C13—C12—H7A118.6
N1—Cd1—O164.51 (7)C12—C13—C14118.1 (3)
Cl1—Cd1—O1160.09 (5)C12—C13—H13A120.9
Cl2—Cd1—O182.55 (5)C14—C13—H13A120.9
N2—Cd1—Cl2i84.56 (7)C15—C14—C13119.8 (3)
N1—Cd1—Cl2i164.27 (6)C15—C14—H8A120.1
Cl1—Cd1—Cl2i95.85 (3)C13—C14—H8A120.1
Cl2—Cd1—Cl2i86.19 (3)C14—C15—C16118.7 (3)
O1—Cd1—Cl2i102.56 (5)C14—C15—H15A120.7
N4—Cd2—N380.74 (9)C16—C15—H15A120.7
N4—Cd2—Cl3155.96 (8)N3—C16—C15122.1 (3)
N3—Cd2—Cl395.66 (7)N3—C16—C17115.8 (3)
N4—Cd2—O467.82 (9)C15—C16—C17122.1 (3)
N3—Cd2—O466.64 (9)O3—C17—O4111.8 (3)
Cl3—Cd2—O488.84 (6)O3—C17—C18108.1 (3)
N4—Cd2—Cl4104.22 (8)O4—C17—C18110.1 (3)
N3—Cd2—Cl494.53 (7)O3—C17—C16112.1 (3)
Cl3—Cd2—Cl499.75 (3)O4—C17—C16105.7 (2)
O4—Cd2—Cl4160.13 (6)C18—C17—C16109.1 (3)
N4—Cd2—Cl4ii86.73 (7)N4—C18—C19122.3 (3)
N3—Cd2—Cl4ii167.44 (7)N4—C18—C17114.6 (3)
Cl3—Cd2—Cl4ii95.49 (3)C19—C18—C17123.1 (3)
O4—Cd2—Cl4ii107.86 (6)C20—C19—C18118.9 (3)
Cl4—Cd2—Cl4ii89.25 (3)C20—C19—H5A120.5
Cd1—Cl2—Cd1i93.81 (3)C18—C19—H5A120.5
Cd2—Cl4—Cd2ii90.75 (3)C19—C20—C21119.0 (4)
N1—C1—C2123.1 (3)C19—C20—H4A120.5
N1—C1—H9A118.4C21—C20—H4A120.5
C2—C1—H9A118.4C22—C21—C20118.9 (4)
C1—C2—C3118.5 (3)C22—C21—H1A120.5
C1—C2—H11A120.7C20—C21—H1A120.5
C3—C2—H11A120.7N4—C22—C21122.6 (4)
C2—C3—C4119.3 (3)N4—C22—H3B118.7
C2—C3—H16A120.4C21—C22—H3B118.7
C4—C3—H16A120.4C1—N1—C5117.8 (3)
C5—C4—C3119.2 (3)C1—N1—Cd1124.7 (2)
C5—C4—H17A120.4C5—N1—Cd1117.38 (18)
C3—C4—H17A120.4C7—N2—C11118.0 (3)
N1—C5—C4122.1 (3)C7—N2—Cd1118.51 (18)
N1—C5—C6115.4 (2)C11—N2—Cd1123.4 (2)
C4—C5—C6122.5 (2)C12—N3—C16118.6 (3)
O2—C6—O1111.5 (2)C12—N3—Cd2126.5 (2)
O2—C6—C5112.1 (2)C16—N3—Cd2114.8 (2)
O1—C6—C5105.9 (2)C22—N4—C18118.3 (3)
O2—C6—C7106.8 (2)C22—N4—Cd2125.1 (2)
O1—C6—C7109.6 (2)C18—N4—Cd2116.5 (2)
C5—C6—C7110.9 (2)C6—O1—Cd198.73 (14)
N2—C7—C8122.2 (3)C6—O1—H1B109.5
N2—C7—C6115.0 (2)Cd1—O1—H1B99.5
C8—C7—C6122.8 (3)C6—O2—H2A109.5
C7—C8—C9119.1 (3)C17—O3—H3A109.5
C7—C8—H12A120.5C17—O4—Cd2101.91 (18)
C9—C8—H12A120.5C17—O4—H4B109.5
C10—C9—C8118.8 (3)Cd2—O4—H4B122.8
C10—C9—H10A120.6H5—O5—H5B113 (6)
C8—C9—H10A120.6H6—O6—H6B112 (5)
C11—C10—C9118.8 (3)H7C—O7—H7B101 (7)
C11—C10—H6A120.6
Symmetry codes: (i) −x, −y, −z; (ii) −x+2, −y+1, −z+1.
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O1—H1B···O6iii0.821.822.630 (3)172
O2—H2A···O1iv0.822.012.818 (3)171
O3—H3A···O7v0.821.892.698 (5)169
O4—H4B···O50.821.922.720 (4)168
O5—H5B···Cl3vi0.84 (4)2.66 (5)3.324 (5)137 (4)
O6—H6···Cl10.85 (4)2.54 (5)3.262 (3)144 (5)
O6—H6B···Cl1vii0.85 (4)2.56 (4)3.392 (3)169 (4)
O7—H7C···Cl3viii0.85 (4)2.50 (4)3.308 (4)159 (6)
O7—H7B···O5viii0.85 (5)2.09 (5)2.932 (6)172 (6)
Symmetry codes: (iii) x−1, y, z; (iv) −x, −y+1, −z; (v) x, y−1, z; (vi) −x+1, −y, −z+1; (vii) −x+1, −y, −z; (viii) −x+1, −y+1, −z+1.
Table 1
Selected geometric parameters (Å, °) top
Cd1—Cl12.4983 (9)Cd2—Cl32.4902 (10)
Cd1—O12.639 (2)Cd2—O42.491 (2)
N2—Cd1—Cl1109.16 (7)N4—Cd2—Cl3155.96 (8)
Cl1—Cd1—O1160.09 (5)Cl3—Cd2—O488.84 (6)
Table 2
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O1—H1B···O6i0.821.822.630 (3)172
O2—H2A···O1ii0.822.012.818 (3)171
O3—H3A···O7iii0.821.892.698 (5)169
O4—H4B···O50.821.922.720 (4)168
O5—H5B···Cl3iv0.84 (4)2.66 (5)3.324 (5)137 (4)
O6—H6···Cl10.85 (4)2.54 (5)3.262 (3)144 (5)
O6—H6B···Cl1v0.85 (4)2.56 (4)3.392 (3)169 (4)
O7—H7C···Cl3vi0.85 (4)2.50 (4)3.308 (4)159 (6)
O7—H7B···O5vi0.85 (5)2.09 (5)2.932 (6)172 (6)
Symmetry codes: (i) x−1, y, z; (ii) −x, −y+1, −z; (iii) x, y−1, z; (iv) −x+1, −y, −z+1; (v) −x+1, −y, −z; (vi) −x+1, −y+1, −z+1.
Acknowledgements top

The authors thank Henan University for financial support and Professors X.-T. Wu, T.-L. Sheng and J.-J. Zhang for their help.

references
References top

Rigaku (2000). CrystalClear. Version 1.3. Rigaku Corporation, Tokyo, Japan.

Sheldrick, G. M. (1997). SHELXTL. Bruker AXS Inc., Madison, Wisconsin, USA.

Zhu, H.-G., Yang, G. & Chen, X.-M. (2000). Acta Cryst. C56, 969–970.