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In the title compound, {[Cd(C7H3NO4)(C10H8N2)]·H2O}n, each CdII atom is octa­hedrally coordinated by one N,N-bidentate 2,2′-bipyridine (bpy) mol­ecule and three pyridine-2,4-dicarboxyl­ate (pydc2−) dianions (one N,O-bidentate and two O-monodentate). The pydc species serve as bridges in a layered polymeric network. The crystal structure features π–π stacking inter­actions between the bpy mol­ecules [closest atomic separation = 3.721 (4) Å] and probable O—H...O hydrogen bonds between the solvent water mol­ecule and the uncoordinated carboxyl­ate O atoms of the pydc2− dianions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680704202X/hb2513sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680704202X/hb2513Isup2.hkl
Contains datablock I

CCDC reference: 1296675

Key indicators

  • Single-crystal X-ray study
  • T = 292 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.023
  • wR factor = 0.061
  • Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as . mixed
Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT245_ALERT_2_C U(iso) H1W Smaller than U(eq) O5 by ... 0.04 AngSq PLAT355_ALERT_3_C Long O-H Bond (0.82A) O5 - H2W ... 1.06 Ang.
Alert level G PLAT794_ALERT_5_G Check Predicted Bond Valency for Cd1 (2) 2.06
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Comment top

In the title compound, (I), each CdII atom is six-coordinated in an octahedral geometry (Table 1) by two N atom from the 2,2'-bipyridine (bpy) ligand, and one N atom and three O atoms from three pyridine-2,4-dicarboxylate (pydc2-) dianions (one N,O-bidentate, two O-monodentate) (Fig. 1). The bridging pydc2- species result in a layered, polymeric network propagating in (100). Aromatic ππ interactions between the bpy molecules, with a shortest atom-to-atom distance of 3.721 (4) Å, and probable O—H···O hydrogen bonds (Fig. 2 and Table 2) complete the structure.

For related structures, see: Gu et al. (2004); Wang et al. (2004); Zhang & Chen (2003).

Related literature top

For related literature, see: Gu et al. (2004); Wang et al. (2004); Zhang & Chen (2003).

Experimental top

A mixture of Cd(NO3)2.4H2O (0.150 g, 0.5 mmol), H2pydc (0.167 g, 1.0 mmol), bpy (0.156 g, 1.0 mmol) and H2O (18 ml) in a 30 ml Teflon-lined autoclave were heated under autogenous pressure at 413 K for five days. After cooling to room temperature, colorless blocks of (I) were obtained. Elemental analysis calculated for C17H13N3O5Cd: C 45.2, H 2.9, N 9.3%; found: C 45.0, H 2.8, N 9.2%.

Refinement top

All the C-bound H atoms were generated geometrically (C—H = 0.93 Å) and refined as riding with Uiso(H) = 1.2Ueq(C). The H atoms of the water molecule were located in a difference Fourier map and refined as riding in their as-found relative positions with free refinement of Uiso. The water H-atom positions reported here should be regarded as tentative.

Structure description top

In the title compound, (I), each CdII atom is six-coordinated in an octahedral geometry (Table 1) by two N atom from the 2,2'-bipyridine (bpy) ligand, and one N atom and three O atoms from three pyridine-2,4-dicarboxylate (pydc2-) dianions (one N,O-bidentate, two O-monodentate) (Fig. 1). The bridging pydc2- species result in a layered, polymeric network propagating in (100). Aromatic ππ interactions between the bpy molecules, with a shortest atom-to-atom distance of 3.721 (4) Å, and probable O—H···O hydrogen bonds (Fig. 2 and Table 2) complete the structure.

For related structures, see: Gu et al. (2004); Wang et al. (2004); Zhang & Chen (2003).

For related literature, see: Gu et al. (2004); Wang et al. (2004); Zhang & Chen (2003).

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

Figures top
[Figure 1] Fig. 1. The asymmetric unit of (I), expanded to show the Cd coordination, with displacement ellipsoids drawn at the 30% probability level (arbitrary spheres for the H atoms). Symmetry codes: (i) -x, 1/2 + y, 3/2 - z; (ii) -x, -y, 1 - z.
[Figure 2] Fig. 2. The packing for (I), viewed along the c axis. Dashed lines indicate hydrogen bonds.
Poly[[[(2,2'-bipyridine)cadmium(II)]-µ3-pyridine-2,4-dicarboxylato] monohydrate] top
Crystal data top
[Cd(C7H3NO4)(C10H8N2)]·H2OF(000) = 896
Mr = 451.70Dx = 1.810 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 3238 reflections
a = 12.0969 (6) Åθ = 2.3–26.0°
b = 14.4457 (7) ŵ = 1.35 mm1
c = 10.1629 (5) ÅT = 292 K
β = 111.045 (1)°Block, colourless
V = 1657.49 (14) Å30.43 × 0.33 × 0.23 mm
Z = 4
Data collection top
Bruker SMART CCD area-detector
diffractometer
3249 independent reflections
Radiation source: fine-focus sealed tube2842 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.060
ω scansθmax = 26.0°, θmin = 2.3°
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
h = 1414
Tmin = 0.591, Tmax = 0.731k = 1717
13935 measured reflectionsl = 1212
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)] = 0.023Hydrogen site location: difmap and geom
wR(F2) = 0.061H atoms treated by a mixture of independent and constrained refinement
S = 1.04 w = 1/[σ2(Fo2) + (0.0309P)2]
where P = (Fo2 + 2Fc2)/3
3249 reflections(Δ/σ)max = 0.001
237 parametersΔρmax = 0.43 e Å3
0 restraintsΔρmin = 0.72 e Å3
Crystal data top
[Cd(C7H3NO4)(C10H8N2)]·H2OV = 1657.49 (14) Å3
Mr = 451.70Z = 4
Monoclinic, P21/cMo Kα radiation
a = 12.0969 (6) ŵ = 1.35 mm1
b = 14.4457 (7) ÅT = 292 K
c = 10.1629 (5) Å0.43 × 0.33 × 0.23 mm
β = 111.045 (1)°
Data collection top
Bruker SMART CCD area-detector
diffractometer
3249 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
2842 reflections with I > 2σ(I)
Tmin = 0.591, Tmax = 0.731Rint = 0.060
13935 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0230 restraints
wR(F2) = 0.061H atoms treated by a mixture of independent and constrained refinement
S = 1.04Δρmax = 0.43 e Å3
3249 reflectionsΔρmin = 0.72 e Å3
237 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
Cd10.244494 (14)0.182255 (10)0.898812 (16)0.02916 (8)
C140.0973 (2)0.14669 (16)0.7861 (2)0.0343 (5)
H14A0.09010.18720.85990.041*
C40.5261 (3)0.00825 (19)1.2185 (3)0.0503 (7)
H4A0.60830.01151.25720.060*
C100.4989 (3)0.27229 (19)0.9184 (3)0.0485 (7)
H10A0.44960.31120.84920.058*
O20.07129 (15)0.10789 (11)0.86810 (16)0.0410 (4)
N30.16050 (18)0.17299 (11)0.65473 (19)0.0296 (4)
N20.44967 (18)0.20406 (14)0.9674 (2)0.0361 (4)
N10.34439 (18)0.06681 (13)1.05976 (19)0.0362 (5)
C150.16857 (18)0.11471 (14)0.5488 (2)0.0262 (4)
O10.0301 (2)0.15522 (13)0.6491 (2)0.0621 (6)
C90.6189 (3)0.2877 (2)0.9654 (3)0.0604 (8)
H9A0.64980.33590.92860.072*
C50.4627 (2)0.07151 (16)1.1180 (2)0.0338 (5)
C120.05572 (19)0.00095 (14)0.7100 (2)0.0286 (5)
C20.3452 (3)0.0643 (2)1.2019 (3)0.0607 (8)
H2A0.30300.10941.22940.073*
C160.11956 (19)0.02688 (15)0.5725 (2)0.0294 (5)
H16A0.12920.01300.49740.035*
C130.0424 (2)0.06178 (15)0.8165 (2)0.0334 (5)
H13A0.00360.04680.90900.040*
C60.5212 (2)0.14681 (17)1.0671 (2)0.0354 (5)
C110.0009 (2)0.09652 (16)0.7424 (2)0.0358 (5)
C10.2879 (3)0.00001 (19)1.1009 (3)0.0474 (6)
H1A0.20580.00321.05930.057*
C70.6434 (3)0.1597 (2)1.1185 (3)0.0546 (7)
H7A0.69210.12021.18740.066*
C30.4659 (3)0.0600 (2)1.2609 (3)0.0645 (9)
H3A0.50730.10281.32910.077*
C80.6921 (3)0.2310 (3)1.0671 (3)0.0645 (9)
H8A0.77360.24041.10130.077*
O30.26657 (15)0.23395 (12)0.38788 (15)0.0384 (4)
C170.22854 (19)0.15273 (16)0.4008 (2)0.0282 (5)
O40.23259 (15)0.10070 (10)0.30068 (15)0.0363 (4)
O50.1177 (3)0.2292 (3)0.3783 (3)0.1224 (12)
H1W0.10440.19010.43860.088 (15)*
H2W0.04170.25600.36270.23 (3)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.03122 (11)0.02280 (10)0.02797 (11)0.00096 (6)0.00396 (8)0.00026 (6)
C140.0464 (14)0.0303 (11)0.0239 (11)0.0063 (11)0.0099 (10)0.0006 (9)
C40.0481 (16)0.0513 (16)0.0446 (15)0.0176 (13)0.0083 (13)0.0086 (12)
C100.0527 (17)0.0474 (16)0.0425 (14)0.0086 (13)0.0137 (13)0.0044 (12)
O20.0447 (10)0.0408 (10)0.0343 (9)0.0184 (8)0.0104 (8)0.0086 (7)
N30.0367 (11)0.0245 (9)0.0250 (9)0.0024 (8)0.0081 (9)0.0014 (7)
N20.0361 (11)0.0383 (11)0.0307 (10)0.0022 (9)0.0079 (9)0.0018 (9)
N10.0407 (12)0.0317 (11)0.0358 (10)0.0073 (9)0.0131 (9)0.0051 (8)
C150.0253 (11)0.0279 (11)0.0241 (10)0.0024 (9)0.0073 (9)0.0005 (8)
O10.0675 (14)0.0331 (10)0.0621 (13)0.0128 (10)0.0054 (11)0.0116 (9)
C90.0538 (19)0.078 (2)0.0511 (17)0.0243 (17)0.0214 (16)0.0022 (16)
C50.0372 (13)0.0360 (13)0.0264 (11)0.0118 (10)0.0094 (10)0.0012 (9)
C120.0287 (11)0.0256 (11)0.0315 (11)0.0033 (9)0.0110 (10)0.0045 (9)
C20.071 (2)0.0491 (17)0.0670 (19)0.0080 (15)0.0302 (17)0.0243 (14)
C160.0313 (12)0.0271 (11)0.0291 (11)0.0004 (9)0.0100 (10)0.0011 (9)
C130.0413 (13)0.0340 (12)0.0233 (10)0.0068 (10)0.0096 (10)0.0058 (9)
C60.0350 (13)0.0419 (13)0.0271 (11)0.0042 (11)0.0086 (10)0.0054 (10)
C110.0358 (13)0.0285 (12)0.0432 (14)0.0055 (10)0.0143 (11)0.0033 (10)
C10.0473 (15)0.0411 (15)0.0562 (16)0.0039 (12)0.0217 (13)0.0124 (12)
C70.0381 (15)0.082 (2)0.0386 (15)0.0047 (15)0.0078 (13)0.0008 (14)
C30.077 (2)0.0557 (19)0.0583 (19)0.0268 (16)0.0206 (17)0.0266 (15)
C80.0436 (17)0.099 (3)0.0504 (17)0.0219 (18)0.0163 (15)0.0099 (18)
O30.0495 (11)0.0301 (9)0.0281 (8)0.0037 (7)0.0049 (8)0.0044 (6)
C170.0250 (11)0.0291 (12)0.0285 (11)0.0052 (9)0.0072 (9)0.0023 (9)
O40.0456 (10)0.0368 (9)0.0232 (7)0.0004 (7)0.0084 (7)0.0026 (7)
O50.0634 (18)0.224 (4)0.0726 (18)0.003 (2)0.0149 (15)0.053 (2)
Geometric parameters (Å, º) top
Cd1—O22.2742 (16)C9—C81.366 (5)
Cd1—N3i2.3030 (17)C9—H9A0.9300
Cd1—O4ii2.3042 (14)C5—C61.488 (3)
Cd1—N12.3446 (18)C12—C131.376 (3)
Cd1—N22.346 (2)C12—C161.391 (3)
Cd1—O3i2.4125 (15)C12—C111.516 (3)
C14—N31.333 (3)C2—C31.366 (4)
C14—C131.376 (3)C2—C11.373 (4)
C14—H14A0.9300C2—H2A0.9300
C4—C51.379 (3)C16—H16A0.9300
C4—C31.384 (4)C13—H13A0.9300
C4—H4A0.9300C6—C71.392 (4)
C10—N21.337 (3)C1—H1A0.9300
C10—C91.374 (4)C7—C81.379 (4)
C10—H10A0.9300C7—H7A0.9300
O2—C111.273 (3)C3—H3A0.9300
N3—C151.342 (3)C8—H8A0.9300
N3—Cd1iii2.3030 (17)O3—C171.250 (3)
N2—C61.353 (3)O3—Cd1iii2.4125 (15)
N1—C11.334 (3)C17—O41.252 (3)
N1—C51.340 (3)O4—Cd1ii2.3042 (14)
C15—C161.384 (3)O5—H1W0.8068
C15—C171.519 (3)O5—H2W1.0603
O1—C111.226 (3)
O2—Cd1—N3i95.16 (7)N1—C5—C4121.0 (2)
O2—Cd1—O4ii82.78 (6)N1—C5—C6116.69 (19)
N3i—Cd1—O4ii111.93 (6)C4—C5—C6122.3 (2)
O2—Cd1—N188.76 (7)C13—C12—C16117.74 (19)
N3i—Cd1—N1152.10 (6)C13—C12—C11120.72 (19)
O4ii—Cd1—N195.96 (6)C16—C12—C11121.54 (19)
O2—Cd1—N2158.22 (7)C3—C2—C1118.0 (3)
N3i—Cd1—N2106.15 (7)C3—C2—H2A121.0
O4ii—Cd1—N293.16 (6)C1—C2—H2A121.0
N1—Cd1—N270.31 (7)C15—C16—C12119.22 (19)
O2—Cd1—O3i99.18 (6)C15—C16—H16A120.4
N3i—Cd1—O3i69.74 (6)C12—C16—H16A120.4
O4ii—Cd1—O3i177.36 (6)C12—C13—C14120.0 (2)
N1—Cd1—O3i82.36 (6)C12—C13—H13A120.0
N2—Cd1—O3i84.37 (6)C14—C13—H13A120.0
N3—C14—C13122.4 (2)N2—C6—C7120.5 (2)
N3—C14—H14A118.8N2—C6—C5116.8 (2)
C13—C14—H14A118.8C7—C6—C5122.7 (2)
C5—C4—C3119.2 (3)O1—C11—O2126.2 (2)
C5—C4—H4A120.4O1—C11—C12118.7 (2)
C3—C4—H4A120.4O2—C11—C12115.1 (2)
N2—C10—C9123.1 (3)N1—C1—C2123.1 (3)
N2—C10—H10A118.4N1—C1—H1A118.5
C9—C10—H10A118.4C2—C1—H1A118.5
C11—O2—Cd1117.70 (14)C8—C7—C6119.9 (3)
C14—N3—C15118.34 (18)C8—C7—H7A120.1
C14—N3—Cd1iii122.74 (14)C6—C7—H7A120.1
C15—N3—Cd1iii118.76 (13)C2—C3—C4119.7 (3)
C10—N2—C6118.6 (2)C2—C3—H3A120.2
C10—N2—Cd1123.63 (17)C4—C3—H3A120.2
C6—N2—Cd1117.67 (16)C9—C8—C7119.1 (3)
C1—N1—C5119.0 (2)C9—C8—H8A120.5
C1—N1—Cd1122.66 (17)C7—C8—H8A120.5
C5—N1—Cd1118.26 (15)C17—O3—Cd1iii117.30 (12)
N3—C15—C16122.14 (18)O3—C17—O4124.93 (19)
N3—C15—C17116.02 (18)O3—C17—C15118.07 (18)
C16—C15—C17121.75 (18)O4—C17—C15117.0 (2)
C8—C9—C10118.9 (3)C17—O4—Cd1ii112.35 (14)
C8—C9—H9A120.6H1W—O5—H2W115.0
C10—C9—H9A120.6
N3i—Cd1—O2—C1173.72 (17)C3—C4—C5—C6179.9 (2)
O4ii—Cd1—O2—C1137.78 (17)N3—C15—C16—C122.6 (3)
N1—Cd1—O2—C11133.95 (17)C17—C15—C16—C12173.8 (2)
N2—Cd1—O2—C11118.2 (2)C13—C12—C16—C151.3 (3)
O3i—Cd1—O2—C11144.00 (17)C11—C12—C16—C15179.5 (2)
C13—C14—N3—C151.2 (3)C16—C12—C13—C143.8 (3)
C13—C14—N3—Cd1iii176.65 (18)C11—C12—C13—C14177.0 (2)
C9—C10—N2—C60.6 (4)N3—C14—C13—C122.7 (4)
C9—C10—N2—Cd1176.1 (2)C10—N2—C6—C70.8 (3)
O2—Cd1—N2—C10162.49 (18)Cd1—N2—C6—C7176.09 (18)
N3i—Cd1—N2—C1029.8 (2)C10—N2—C6—C5179.7 (2)
O4ii—Cd1—N2—C1084.1 (2)Cd1—N2—C6—C53.5 (3)
N1—Cd1—N2—C10179.3 (2)N1—C5—C6—N20.4 (3)
O3i—Cd1—N2—C1096.8 (2)C4—C5—C6—N2179.4 (2)
O2—Cd1—N2—C620.8 (3)N1—C5—C6—C7180.0 (2)
N3i—Cd1—N2—C6146.84 (16)C4—C5—C6—C71.0 (4)
O4ii—Cd1—N2—C699.25 (16)Cd1—O2—C11—O145.6 (3)
N1—Cd1—N2—C64.04 (15)Cd1—O2—C11—C12135.58 (16)
O3i—Cd1—N2—C679.84 (16)C13—C12—C11—O1168.4 (2)
O2—Cd1—N1—C15.54 (19)C16—C12—C11—O112.5 (3)
N3i—Cd1—N1—C193.2 (2)C13—C12—C11—O210.5 (3)
O4ii—Cd1—N1—C188.15 (19)C16—C12—C11—O2168.6 (2)
N2—Cd1—N1—C1179.4 (2)C5—N1—C1—C20.6 (4)
O3i—Cd1—N1—C193.90 (19)Cd1—N1—C1—C2175.6 (2)
O2—Cd1—N1—C5178.17 (15)C3—C2—C1—N11.1 (4)
N3i—Cd1—N1—C583.1 (2)N2—C6—C7—C80.3 (4)
O4ii—Cd1—N1—C595.56 (15)C5—C6—C7—C8179.8 (2)
N2—Cd1—N1—C54.33 (15)C1—C2—C3—C40.4 (5)
O3i—Cd1—N1—C582.39 (15)C5—C4—C3—C20.6 (4)
C14—N3—C15—C163.9 (3)C10—C9—C8—C70.6 (5)
Cd1iii—N3—C15—C16179.49 (16)C6—C7—C8—C90.4 (5)
C14—N3—C15—C17172.7 (2)Cd1iii—O3—C17—O4179.41 (17)
Cd1iii—N3—C15—C172.9 (2)Cd1iii—O3—C17—C151.8 (3)
N2—C10—C9—C80.1 (5)N3—C15—C17—O30.6 (3)
C1—N1—C5—C40.4 (3)C16—C15—C17—O3177.2 (2)
Cd1—N1—C5—C4176.85 (18)N3—C15—C17—O4177.16 (19)
C1—N1—C5—C6179.4 (2)C16—C15—C17—O40.5 (3)
Cd1—N1—C5—C64.2 (2)O3—C17—O4—Cd1ii23.7 (3)
C3—C4—C5—N11.0 (4)C15—C17—O4—Cd1ii153.94 (14)
Symmetry codes: (i) x, y+1/2, z+3/2; (ii) x, y, z+1; (iii) x, y1/2, z+3/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O5—H1W···O10.812.062.783 (4)149
O5—H2W···O2iv1.062.383.308 (4)145
O5—H2W···O1iv1.062.573.333 (4)129
Symmetry code: (iv) x, y+1/2, z1/2.

Experimental details

Crystal data
Chemical formula[Cd(C7H3NO4)(C10H8N2)]·H2O
Mr451.70
Crystal system, space groupMonoclinic, P21/c
Temperature (K)292
a, b, c (Å)12.0969 (6), 14.4457 (7), 10.1629 (5)
β (°) 111.045 (1)
V3)1657.49 (14)
Z4
Radiation typeMo Kα
µ (mm1)1.35
Crystal size (mm)0.43 × 0.33 × 0.23
Data collection
DiffractometerBruker SMART CCD area-detector
Absorption correctionMulti-scan
(SADABS; Bruker, 2001)
Tmin, Tmax0.591, 0.731
No. of measured, independent and
observed [I > 2σ(I)] reflections
13935, 3249, 2842
Rint0.060
(sin θ/λ)max1)0.617
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.023, 0.061, 1.04
No. of reflections3249
No. of parameters237
H-atom treatmentH atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å3)0.43, 0.72

Computer programs: SMART (Bruker, 2001), SAINT (Bruker, 2001), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL (Bruker, 2001).

Selected bond lengths (Å) top
Cd1—O22.2742 (16)Cd1—N12.3446 (18)
Cd1—N3i2.3030 (17)Cd1—N22.346 (2)
Cd1—O4ii2.3042 (14)Cd1—O3i2.4125 (15)
Symmetry codes: (i) x, y+1/2, z+3/2; (ii) x, y, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O5—H1W···O10.8072.0632.783 (4)148.48
O5—H2W···O2iii1.0602.3843.308 (4)144.84
O5—H2W···O1iii1.0602.5683.333 (4)128.48
Symmetry code: (iii) x, y+1/2, z1/2.
 

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