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Acta Cryst. (2007). E63, m2938-m2939    [ doi:10.1107/S1600536807054669 ]

Poly[[[bis[(2,2'-bipyridine-[kappa]2N,N')cadmium(II)]-bis[[mu]3-3-(4-carboxylatophenoxy)propionato-[kappa]5O,O':O':O'',O''']] 4-hydroxybenzoic acid monohydrate]

L.-L. Kong, S. Gao, L.-H. Huo and S. W. Ng

Abstract top

The 3-(4-carboxylatophenoxy)propionate dianion in the title compound, [Cd2(C10H8O5)2(C10H8N2)2]·C7H6O3·H2O, links adjacent metal atoms into a chain, the dianion chelating through both O atoms of its two -CO2- end groups. One of the carboxylate O atoms (that belonging to the aliphatic carboxylate end) engages in interchain coordination, linking two chains into a ribbon. The ribbons are linked to the disordered water molecule and 4-hydroxybenzoic acid by O-H...O hydrogen bonds, further consolidating the ribbon motif. The CdII atom exists in a seven-coordinate CdN2O5 enviroment that approximates to a monocapped octahedron. The dinuclear repeat unit is centrosymmetric.

Comment top

The present study on the title compound, (I), follows reports on the transition metal derivatives of 3-(4-carboxylatophenoxy)propionic acid. These (Kong et al., 2007a,b) describe the isostrutural manganese(II) and cobalt(II) adducts with 2,2'-bipyridine. With cadmium nitrate as reactant and by using a hydrothermal method, part of the carboxylic acid is hydrolyzed to give 4-hydroxybenzoic acid, which is then incorporated into the crystal structure (Fig. 1). Topologically, a double ribbon polyer is formed (Fig. 2).

The cadmium(II) atom in (I) exists in a seven-coordinate CdN2O5 enviroment (Fig. 3) that approximates to a monocapped octahedron (Table 1) and a network of O—H···O hydrogen bonds (Table 2) helps to consolidate the structure.

Related literature top

For the 2,2'-bipyridine chelated transition metal derivatives of 3-(4-carboxylatophenoxy)propionic acid, see: Kong et al. (2007a,b).

Experimental top

Cadmium dinitrate tetrahydrate (2 mmol), 2,2'-bipyridine (2 mmol) and 3-(4-carboxylatophenoxy)propionic acid (2 mmol) and water were sealed in a 25-ml, Teflon-lined, stainless steel bomb and heated at 413 K for 20 h. The bomb was cooled to room temperature; the colorless crystals that separated was picked out manually.

Refinement top

The water and 4-hydroxybenzoic acid molecules are disordered about a center-of-inversion; the molecules were assigned half-occupancy each. The phenylene ring was refined as a rigid hexagon of 1.39 Å sides. The four-atom –C(=O)–O fragment was restrained to be nearly planar; the two C–O distances were restrained to 1.25±0.01 Å and the C–C single-bond distance to 1.50±-0.01 Å.

Carbon-bound H atoms were placed in calculated positions [C—H 0.93–0.97 Å and Uiso(H) 1.2Ueq(C)], and were included in the refinement in the riding-model approximation. The carboxylic acid and water H-atoms were similarly generated [O–H 0.82 Å and and Uiso(H) 1.2Ueq(O)].

The final difference Fourier map had a large peak near Cd1, but was otherwise essentially featureless.

Computing details top

Data collection: RAPID-AUTO (Rigaku Corporation, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: X-SEED (Barbour, 2001), OLEX (Dolomanov et al., 2003); software used to prepare material for publication: publCIF (Westrip, 2007).

Figures top
[Figure 1] Fig. 1. View of a fragment of (I); displacement ellipsoids are drawn at the 50% probability level, and H atoms as spheres of arbitrary radius. Symmetry codes are given in Table 1.
[Figure 2] Fig. 2. A representation of the polymeric double ribbon structure in (I).
[Figure 3] Fig. 3. Seven-coordinate geometry of cadmium in (I).
Poly[[[bis[(2,2'-bipyridine-κ2N,N')cadmium(II)]- bis[µ3-3-(4-carboxylatophenoxy)propionato- κ5O,O':O':O'',O''']] 4-hydroxybenzoic acid monohydrate] top
Crystal data top
[Cd2(C10H8O5)2(C10H8N2)2]·C7H6O3·H2OZ = 1
Mr = 1109.63F(000) = 558
Triclinic, P1Dx = 1.659 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.1615 (5) ÅCell parameters from 8754 reflections
b = 10.6255 (5) Åθ = 3.0–27.5°
c = 10.8507 (6) ŵ = 1.03 mm−1
α = 73.147 (2)°T = 295 K
β = 82.174 (1)°Block, colorless
γ = 88.734 (1)°0.32 × 0.24 × 0.16 mm
V = 1110.6 (1) Å3
Data collection top
Rigaku RAXIS-RAPID
diffractometer		5010 independent reflections
Radiation source: fine-focus sealed tube3997 reflections with I > 2σ(I)
graphiteRint = 0.042
Detector resolution: 10.000 pixels mm-1θmax = 27.5°, θmin = 3.0°
ω–scansh = −13→13
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)		k = −11→13
Tmin = 0.542, Tmax = 0.852l = −14→14
10857 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.040Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.120H-atom parameters constrained
S = 1.06 w = 1/[σ2(Fo2) + (0.048P)2 + 1.4148P]
where P = (Fo2 + 2Fc2)/3
5010 reflections(Δ/σ)max = 0.001
341 parametersΔρmax = 1.13 e Å−3
4 restraintsΔρmin = −0.87 e Å−3
Crystal data top
[Cd2(C10H8O5)2(C10H8N2)2]·C7H6O3·H2Oγ = 88.734 (1)°
Mr = 1109.63V = 1110.6 (1) Å3
Triclinic, P1Z = 1
a = 10.1615 (5) ÅMo Kα radiation
b = 10.6255 (5) ŵ = 1.03 mm−1
c = 10.8507 (6) ÅT = 295 K
α = 73.147 (2)°0.32 × 0.24 × 0.16 mm
β = 82.174 (1)°
Data collection top
Rigaku RAXIS-RAPID
diffractometer		5010 independent reflections
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)		3997 reflections with I > 2σ(I)
Tmin = 0.542, Tmax = 0.852Rint = 0.042
10857 measured reflectionsθmax = 27.5°
Refinement top
R[F2 > 2σ(F2)] = 0.040H-atom parameters constrained
wR(F2) = 0.120Δρmax = 1.13 e Å−3
S = 1.06Δρmin = −0.87 e Å−3
5010 reflectionsAbsolute structure: ?
341 parametersFlack parameter: ?
4 restraintsRogers parameter: ?
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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Cd10.42672 (3)0.67472 (3)0.96257 (3)0.04096 (12)
O10.4806 (4)0.6852 (4)0.7269 (3)0.0713 (11)
O20.4891 (3)0.5017 (3)0.8745 (3)0.0503 (7)
O30.7194 (3)0.5162 (4)0.4709 (3)0.0528 (8)
O41.2813 (3)0.7051 (3)0.1393 (3)0.0524 (8)
O51.1998 (3)0.6081 (3)0.0120 (3)0.0501 (8)
N10.6322 (3)0.7835 (4)0.9263 (3)0.0422 (8)
N20.3986 (3)0.8980 (4)0.8686 (4)0.0506 (9)
C10.5078 (4)0.5672 (5)0.7584 (4)0.0423 (10)
C20.5637 (4)0.5052 (6)0.6544 (4)0.0544 (12)
H2A0.49730.50690.59760.065*
H2B0.58310.41390.69480.065*
C30.6886 (4)0.5747 (5)0.5741 (4)0.0501 (11)
H3A0.67380.66810.53990.060*
H3B0.76060.56270.62640.060*
C40.8339 (4)0.5545 (4)0.3857 (4)0.0366 (8)
C50.9291 (4)0.6386 (5)0.4003 (4)0.0470 (10)
H50.91630.67510.46920.056*
C61.0433 (4)0.6675 (5)0.3111 (4)0.0450 (10)
H61.10870.72190.32180.054*
C71.0620 (4)0.6166 (4)0.2057 (4)0.0357 (8)
C80.9646 (4)0.5349 (4)0.1924 (4)0.0407 (9)
H80.97580.49970.12270.049*
C90.8502 (4)0.5047 (5)0.2819 (4)0.0466 (10)
H90.78460.45060.27120.056*
C101.1891 (4)0.6454 (4)0.1128 (4)0.0383 (9)
C110.7459 (4)0.7223 (5)0.9483 (5)0.0507 (11)
H110.74360.63170.98600.061*
C120.8668 (5)0.7873 (6)0.9178 (6)0.0690 (15)
H120.94490.74160.93330.083*
C130.8693 (5)0.9193 (6)0.8645 (8)0.096 (3)
H130.94980.96570.84260.115*
C140.7518 (5)0.9853 (5)0.8427 (7)0.0749 (18)
H140.75211.07640.80900.090*
C150.6343 (4)0.9139 (4)0.8718 (4)0.0405 (9)
C160.5054 (4)0.9786 (4)0.8424 (4)0.0391 (9)
C170.4953 (5)1.1124 (5)0.7919 (5)0.0555 (12)
H170.57021.16670.77540.067*
C180.3730 (5)1.1661 (5)0.7658 (6)0.0638 (14)
H180.36441.25650.73220.077*
C190.2654 (5)1.0838 (6)0.7902 (6)0.0750 (17)
H190.18251.11690.77170.090*
C200.2812 (5)0.9547 (5)0.8413 (6)0.0717 (17)
H200.20640.90010.85940.086*
O1w0.6482 (8)1.1595 (8)0.4750 (9)0.077 (2)0.50
H1w0.61621.21130.41510.092*0.50
H2w0.60571.09010.49590.092*0.50
O6−0.1473 (12)0.9220 (11)0.5206 (16)0.089 (4)0.50
O7−0.1003 (11)1.1321 (8)0.4495 (14)0.078 (5)0.50
H7O−0.17901.14870.44480.117*0.50
O80.4798 (7)0.9246 (7)0.5287 (8)0.0657 (19)0.50
H8O0.49070.85280.58040.099*0.50
C21−0.0645 (10)1.0142 (12)0.4888 (14)0.071 (8)0.50
C220.0799 (7)0.9884 (13)0.4960 (19)0.059 (6)0.50
C230.1194 (8)0.8635 (11)0.5611 (16)0.127 (14)0.50
H230.05640.79640.59830.153*0.50
C240.2532 (9)0.8391 (6)0.5707 (10)0.074 (3)0.50
H240.27960.75550.61430.089*0.50
C250.3473 (6)0.9395 (7)0.5152 (8)0.054 (2)0.50
C260.3077 (8)1.0643 (6)0.4500 (8)0.055 (2)0.50
H260.37071.13150.41280.066*0.50
C270.1740 (9)1.0888 (9)0.4404 (14)0.066 (5)0.50
H270.14761.17240.39680.079*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.03119 (16)0.04466 (19)0.04179 (19)−0.00141 (12)0.00713 (11)−0.00967 (14)
O10.081 (2)0.080 (3)0.040 (2)0.030 (2)0.0032 (17)−0.0039 (18)
O20.0553 (17)0.0601 (19)0.0309 (16)0.0082 (15)0.0077 (13)−0.0127 (14)
O30.0361 (15)0.083 (2)0.0409 (17)−0.0108 (15)0.0124 (12)−0.0284 (17)
O40.0339 (15)0.066 (2)0.058 (2)−0.0112 (15)0.0079 (13)−0.0255 (17)
O50.0414 (16)0.064 (2)0.0483 (18)−0.0108 (15)0.0130 (13)−0.0295 (16)
N10.0361 (17)0.046 (2)0.044 (2)0.0026 (15)−0.0018 (14)−0.0144 (16)
N20.0370 (18)0.051 (2)0.057 (2)−0.0029 (17)0.0016 (16)−0.0078 (19)
C10.0290 (18)0.063 (3)0.035 (2)0.0069 (19)−0.0027 (15)−0.015 (2)
C20.039 (2)0.091 (4)0.033 (2)−0.005 (2)0.0071 (17)−0.022 (2)
C30.037 (2)0.077 (3)0.035 (2)0.003 (2)0.0047 (17)−0.018 (2)
C40.0277 (17)0.045 (2)0.034 (2)0.0036 (16)0.0028 (14)−0.0099 (17)
C50.038 (2)0.065 (3)0.042 (2)0.004 (2)0.0039 (17)−0.025 (2)
C60.035 (2)0.058 (3)0.045 (2)−0.0091 (19)0.0054 (17)−0.025 (2)
C70.0322 (18)0.036 (2)0.036 (2)0.0016 (16)0.0032 (15)−0.0087 (17)
C80.041 (2)0.048 (2)0.034 (2)−0.0034 (18)0.0062 (16)−0.0185 (18)
C90.037 (2)0.059 (3)0.046 (3)−0.011 (2)0.0058 (17)−0.022 (2)
C100.0299 (18)0.038 (2)0.043 (2)0.0038 (16)0.0025 (16)−0.0093 (18)
C110.043 (2)0.046 (2)0.060 (3)0.006 (2)−0.010 (2)−0.010 (2)
C120.039 (2)0.063 (3)0.102 (5)0.004 (2)−0.010 (3)−0.020 (3)
C130.039 (3)0.063 (4)0.176 (8)−0.007 (3)−0.012 (4)−0.019 (4)
C140.047 (3)0.040 (3)0.126 (6)−0.002 (2)−0.010 (3)−0.009 (3)
C150.040 (2)0.038 (2)0.045 (2)0.0003 (17)−0.0021 (17)−0.0174 (19)
C160.044 (2)0.039 (2)0.034 (2)0.0084 (18)−0.0026 (16)−0.0125 (17)
C170.057 (3)0.041 (2)0.068 (3)0.002 (2)−0.014 (2)−0.013 (2)
C180.064 (3)0.055 (3)0.067 (4)0.010 (3)−0.018 (3)−0.005 (3)
C190.051 (3)0.074 (4)0.084 (4)0.017 (3)−0.022 (3)0.007 (3)
C200.042 (2)0.055 (3)0.104 (5)0.003 (2)−0.017 (3)0.002 (3)
O1w0.071 (5)0.061 (5)0.082 (6)0.008 (5)−0.024 (5)0.011 (4)
O60.068 (6)0.077 (8)0.132 (12)0.000 (6)−0.044 (8)−0.032 (7)
O70.065 (6)0.035 (5)0.134 (13)0.010 (5)−0.022 (7)−0.021 (7)
O80.060 (4)0.060 (4)0.066 (5)0.003 (4)−0.008 (3)0.000 (4)
C210.068 (10)0.069 (19)0.082 (17)0.005 (11)−0.027 (10)−0.025 (13)
C220.059 (10)0.065 (17)0.053 (10)−0.009 (10)−0.011 (8)−0.013 (10)
C230.12 (2)0.14 (2)0.092 (18)−0.026 (17)−0.050 (17)0.025 (16)
C240.069 (7)0.048 (6)0.098 (10)0.004 (6)−0.035 (7)0.000 (6)
C250.062 (6)0.050 (6)0.044 (5)0.002 (5)−0.007 (4)−0.004 (5)
C260.060 (6)0.044 (5)0.056 (6)0.003 (4)−0.004 (5)−0.009 (4)
C270.079 (11)0.045 (8)0.066 (9)0.001 (7)−0.007 (7)−0.004 (6)
Geometric parameters (Å, °) top
Cd1—O12.511 (4)C9—H90.9300
Cd1—O22.345 (3)C11—C121.375 (7)
Cd1—O2i2.406 (3)C11—H110.9300
Cd1—O4ii2.351 (3)C12—C131.353 (8)
Cd1—O5ii2.370 (3)C12—H120.9300
Cd1—N12.339 (3)C13—C141.385 (7)
Cd1—N22.323 (4)C13—H130.9300
O1—C11.236 (6)C14—C151.378 (6)
O2—C11.241 (5)C14—H140.9300
O2—Cd1i2.406 (3)C15—C161.496 (6)
O3—C41.373 (4)C16—C171.375 (6)
O3—C31.428 (5)C17—C181.387 (7)
O4—C101.253 (5)C17—H170.9300
O4—Cd1iii2.351 (3)C18—C191.363 (8)
O5—C101.257 (5)C18—H180.9300
O5—Cd1iii2.370 (3)C19—C201.338 (8)
N1—C111.329 (5)C19—H190.9300
N1—C151.339 (5)C20—H200.9300
N2—C161.345 (5)O1w—H1w0.8200
N2—C201.354 (6)O1w—H2w0.8200
C1—C21.507 (6)O6—C211.244 (9)
C2—C31.511 (6)O7—C211.263 (9)
C2—H2A0.9700O7—H7O0.8200
C2—H2B0.9700O8—C251.375 (9)
C3—H3A0.9700O8—H8O0.8200
C3—H3B0.9700C21—C221.495 (8)
C4—C91.366 (6)C22—C231.3900
C4—C51.386 (6)C22—C271.3900
C5—C61.385 (5)C23—C241.3900
C5—H50.9300C23—H230.9300
C6—C71.390 (6)C24—C251.3900
C6—H60.9300C24—H240.9300
C7—C81.379 (6)C25—C261.3900
C7—C101.505 (5)C26—C271.3900
C8—C91.388 (5)C26—H260.9300
C8—H80.9300C27—H270.9300
N2—Cd1—N171.09 (12)C7—C8—H8119.6
N2—Cd1—O2132.62 (13)C9—C8—H8119.6
N1—Cd1—O299.56 (12)C4—C9—C8120.0 (4)
N2—Cd1—O4ii84.69 (13)C4—C9—H9120.0
N1—Cd1—O4ii114.25 (11)C8—C9—H9120.0
O2—Cd1—O4ii137.28 (11)O4—C10—O5122.2 (4)
N2—Cd1—O5ii98.40 (12)O4—C10—C7118.6 (4)
N1—Cd1—O5ii166.81 (11)O5—C10—C7119.2 (4)
O2—Cd1—O5ii93.44 (11)N1—C11—C12122.8 (5)
O4ii—Cd1—O5ii55.46 (10)N1—C11—H11118.6
N2—Cd1—O2i150.29 (13)C12—C11—H11118.6
N1—Cd1—O2i88.75 (12)C13—C12—C11118.3 (5)
O2—Cd1—O2i70.79 (12)C13—C12—H12120.9
O4ii—Cd1—O2i84.10 (11)C11—C12—H12120.9
O5ii—Cd1—O2i97.67 (11)C12—C13—C14119.9 (5)
N2—Cd1—O180.37 (14)C12—C13—H13120.1
N1—Cd1—O183.43 (13)C14—C13—H13120.1
O2—Cd1—O152.26 (12)C15—C14—C13118.9 (5)
O4ii—Cd1—O1151.63 (12)C15—C14—H14120.5
O5ii—Cd1—O1103.05 (12)C13—C14—H14120.5
O2i—Cd1—O1119.78 (11)N1—C15—C14120.9 (4)
C1—O1—Cd189.9 (3)N1—C15—C16117.7 (4)
C1—O2—Cd197.7 (3)C14—C15—C16121.4 (4)
C1—O2—Cd1i144.3 (3)N2—C16—C17121.5 (4)
Cd1—O2—Cd1i109.21 (12)N2—C16—C15116.1 (4)
C4—O3—C3119.1 (3)C17—C16—C15122.5 (4)
C10—O4—Cd1iii91.5 (2)C16—C17—C18119.6 (5)
C10—O5—Cd1iii90.5 (2)C16—C17—H17120.2
C11—N1—C15119.2 (4)C18—C17—H17120.2
C11—N1—Cd1123.7 (3)C19—C18—C17118.8 (5)
C15—N1—Cd1116.9 (3)C19—C18—H18120.6
C16—N2—C20116.9 (4)C17—C18—H18120.6
C16—N2—Cd1118.1 (3)C20—C19—C18118.8 (5)
C20—N2—Cd1124.9 (3)C20—C19—H19120.6
O1—C1—O2119.9 (4)C18—C19—H19120.6
O1—C1—C2119.1 (4)C19—C20—N2124.5 (5)
O2—C1—C2121.0 (4)C19—C20—H20117.8
C1—C2—C3112.5 (4)N2—C20—H20117.8
C1—C2—H2A109.1H1w—O1w—H2w108.2
C3—C2—H2A109.1C21—O7—H7O120.0
C1—C2—H2B109.1O6—C21—O7120.8 (10)
C3—C2—H2B109.1O6—C21—C22120.9 (9)
H2A—C2—H2B107.8O7—C21—C22118.2 (10)
O3—C3—C2105.8 (4)C23—C22—C27120.0
O3—C3—H3A110.6C23—C22—C21119.5 (6)
C2—C3—H3A110.6C27—C22—C21120.5 (6)
O3—C3—H3B110.6C22—C23—C24120.0
C2—C3—H3B110.6C22—C23—H23120.0
H3A—C3—H3B108.7C24—C23—H23120.0
C9—C4—O3115.8 (4)C25—C24—C23120.0
C9—C4—C5120.5 (4)C25—C24—H24120.0
O3—C4—C5123.7 (4)C23—C24—H24120.0
C6—C5—C4119.1 (4)O8—C25—C26116.9 (6)
C6—C5—H5120.4O8—C25—C24123.0 (6)
C4—C5—H5120.4C26—C25—C24120.0
C5—C6—C7121.0 (4)C25—C26—C27120.0
C5—C6—H6119.5C25—C26—H26120.0
C7—C6—H6119.5C27—C26—H26120.0
C8—C7—C6118.6 (3)C26—C27—C22120.0
C8—C7—C10121.3 (4)C26—C27—H27120.0
C6—C7—C10120.0 (4)C22—C27—H27120.0
C7—C8—C9120.8 (4)
N2—Cd1—O1—C1176.3 (3)C4—C5—C6—C71.8 (7)
N1—Cd1—O1—C1104.5 (3)C5—C6—C7—C8−0.7 (7)
O2—Cd1—O1—C1−3.0 (2)C5—C6—C7—C10−177.8 (4)
O4ii—Cd1—O1—C1−124.5 (3)C6—C7—C8—C90.3 (7)
O5ii—Cd1—O1—C1−87.2 (3)C10—C7—C8—C9177.3 (4)
O2i—Cd1—O1—C119.7 (3)O3—C4—C9—C8−178.2 (4)
N2—Cd1—O2—C12.2 (3)C5—C4—C9—C82.1 (7)
N1—Cd1—O2—C1−70.9 (3)C7—C8—C9—C4−1.0 (7)
O4ii—Cd1—O2—C1146.4 (2)Cd1iii—O4—C10—O5−6.1 (4)
O5ii—Cd1—O2—C1106.9 (3)Cd1iii—O4—C10—C7173.3 (3)
O2i—Cd1—O2—C1−156.2 (3)Cd1iii—O5—C10—O46.0 (4)
O1—Cd1—O2—C13.0 (2)Cd1iii—O5—C10—C7−173.3 (3)
N2—Cd1—O2—Cd1i158.33 (13)C8—C7—C10—O4−170.3 (4)
N1—Cd1—O2—Cd1i85.29 (14)C6—C7—C10—O46.7 (6)
O4ii—Cd1—O2—Cd1i−57.5 (2)C8—C7—C10—O59.1 (6)
O5ii—Cd1—O2—Cd1i−96.93 (14)C6—C7—C10—O5−173.9 (4)
O2i—Cd1—O2—Cd1i0.0C15—N1—C11—C120.2 (7)
O1—Cd1—O2—Cd1i159.2 (2)Cd1—N1—C11—C12175.3 (4)
N2—Cd1—N1—C11−175.4 (4)N1—C11—C12—C130.8 (9)
O2—Cd1—N1—C11−43.5 (4)C11—C12—C13—C140.2 (11)
O4ii—Cd1—N1—C11109.8 (4)C12—C13—C14—C15−2.2 (12)
O5ii—Cd1—N1—C11146.3 (5)C11—N1—C15—C14−2.3 (7)
O2i—Cd1—N1—C1126.8 (4)Cd1—N1—C15—C14−177.7 (4)
O1—Cd1—N1—C11−93.4 (4)C11—N1—C15—C16177.0 (4)
N2—Cd1—N1—C15−0.2 (3)Cd1—N1—C15—C161.6 (5)
O2—Cd1—N1—C15131.7 (3)C13—C14—C15—N13.3 (9)
O4ii—Cd1—N1—C15−75.1 (3)C13—C14—C15—C16−176.0 (6)
O5ii—Cd1—N1—C15−38.5 (7)C20—N2—C16—C170.8 (7)
O2i—Cd1—N1—C15−158.0 (3)Cd1—N2—C16—C17−177.2 (3)
O1—Cd1—N1—C1581.8 (3)C20—N2—C16—C15−179.3 (5)
N1—Cd1—N2—C16−1.4 (3)Cd1—N2—C16—C152.6 (5)
O2—Cd1—N2—C16−87.0 (3)N1—C15—C16—N2−2.9 (6)
O4ii—Cd1—N2—C16116.5 (3)C14—C15—C16—N2176.5 (5)
O5ii—Cd1—N2—C16170.4 (3)N1—C15—C16—C17177.0 (4)
O2i—Cd1—N2—C1648.3 (4)C14—C15—C16—C17−3.7 (7)
O1—Cd1—N2—C16−87.7 (3)N2—C16—C17—C18−0.8 (7)
N1—Cd1—N2—C20−179.2 (5)C15—C16—C17—C18179.4 (5)
O2—Cd1—N2—C2095.2 (5)C16—C17—C18—C19−0.4 (8)
O4ii—Cd1—N2—C20−61.3 (5)C17—C18—C19—C201.5 (10)
O5ii—Cd1—N2—C20−7.4 (5)C18—C19—C20—N2−1.5 (11)
O2i—Cd1—N2—C20−129.5 (5)C16—N2—C20—C190.3 (9)
O1—Cd1—N2—C2094.5 (5)Cd1—N2—C20—C19178.2 (5)
Cd1—O1—C1—O25.2 (4)O6—C21—C22—C23−12.1 (9)
Cd1—O1—C1—C2−174.7 (3)O7—C21—C22—C23167.9 (9)
Cd1—O2—C1—O1−5.6 (4)O6—C21—C22—C27169.2 (9)
Cd1i—O2—C1—O1−144.9 (4)O7—C21—C22—C27−10.8 (9)
Cd1—O2—C1—C2174.3 (3)C27—C22—C23—C240.0
Cd1i—O2—C1—C235.1 (7)C21—C22—C23—C24−178.7 (10)
O1—C1—C2—C356.4 (6)C22—C23—C24—C250.0
O2—C1—C2—C3−123.5 (5)C23—C24—C25—O8175.3 (10)
C4—O3—C3—C2−176.0 (4)C23—C24—C25—C260.0
C1—C2—C3—O3−172.8 (4)O8—C25—C26—C27−175.6 (10)
C3—O3—C4—C9−173.5 (4)C24—C25—C26—C270.0
C3—O3—C4—C56.2 (6)C25—C26—C27—C220.0
C9—C4—C5—C6−2.5 (7)C23—C22—C27—C260.0
O3—C4—C5—C6177.8 (4)C21—C22—C27—C26178.7 (10)
Symmetry codes: (i) −x+1, −y+1, −z+2; (ii) x−1, y, z+1; (iii) x+1, y, z−1.
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O7—H7o···O1wiv0.821.752.55 (1)166
O8—H8o···O10.822.012.815 (8)168
O1w—H1w···O1v0.821.982.797 (8)171
O1w—H2w···O80.822.112.93 (1)172
Symmetry codes: (iv) x−1, y, z; (v) −x+1, −y+2, −z+1.
Table 1
Selected geometric parameters (Å) top
Cd1—O12.511 (4)Cd1—O5ii2.370 (3)
Cd1—O22.345 (3)Cd1—N12.339 (3)
Cd1—O2i2.406 (3)Cd1—N22.323 (4)
Cd1—O4ii2.351 (3)
Symmetry codes: (i) −x+1, −y+1, −z+2; (ii) x−1, y, z+1.
Table 2
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O7—H7o···O1wiii0.821.752.55 (1)166
O8—H8o···O10.822.012.815 (8)168
O1w—H1w···O1iv0.821.982.797 (8)171
O1w—H2w···O80.822.112.93 (1)172
Symmetry codes: (iii) x−1, y, z; (iv) −x+1, −y+2, −z+1.
Acknowledgements top

We thank the Heilongjiang Province Natural Science Foundation (No. B200501), the Scientific Fund for Remarkable Teachers of Heilongjiang Province (No. 1054 G036), Heilongjiang University and the University of Malaya for supporting this work.

references
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