catena-Poly[[diaqua­(2,2′-bipyridine-κ²N,N′)cadmium(II)]-μ-phthalato-κ²O:O′]

In the title compound, [Cd(C₈H₄O₄)(C₁₀H₈N₂)(H₂O)₂]_n, the Cd atom has a distorted trigonal–prismatic coordination geometry, bonded to two N atoms from the 2,2′-bipyridine ligand, two water O atoms and two O atoms from two different phthalate ligands, thereby producing a linear coordination polymer. The crystal structure is stabilized by π–π inter­actions [centroid-to-centroid distance = 3.766 (3) Å] and hydrogen bonds.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.007 Å
• R factor = 0.034
• wR factor = 0.105
• Data-to-parameter ratio = 12.6

checkCIF/PLATON results

No syntax errors found



Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.623     0.972
            Tmin(prime) and Tmax expected:      0.585     0.750
            RR(prime) =      0.821
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.80
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.77
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)        100 Deg.
PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 =          5
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          4
PLAT731_ALERT_1_C Bond    Calc     0.82(5), Rep   0.817(19) ......       2.63 su-Ra
              O1W  -H1WA    1.555   1.555
PLAT731_ALERT_1_C Bond    Calc     0.82(4), Rep   0.821(19) ......       2.11 su-Ra
              O1W  -H1WB    1.555   1.555
PLAT731_ALERT_1_C Bond    Calc     0.81(4), Rep   0.807(19) ......       2.11 su-Ra
              O2W  -H2WA    1.555   1.555
PLAT735_ALERT_1_C D-H     Calc     0.82(5), Rep     0.82(2) ......       2.50 su-Ra
              O1W  -H1#     1.555   1.555
PLAT736_ALERT_1_C H...A   Calc     1.92(5), Rep     1.92(2) ......       2.50 su-Ra
              H1#  -O4      1.555   1.655
PLAT736_ALERT_1_C H...A   Calc     2.08(5), Rep     2.08(2) ......       2.50 su-Ra
              H4#  -O2      1.555   2.555

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.772
            Tmax scaled      0.750 Tmin scaled      0.481
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K
PLAT794_ALERT_5_G Check Predicted Bond Valency for Cd2         (2)       2.14
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          6

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  12 ALERT level C = Check and explain
   5 ALERT level G = General alerts; check

   9 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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S1. Comment

The phthalate ligand was successfully used to design and synthesize a wide variety of metal complexes, those containing Cd(II) complexes are less considered (Sun et al., 2005). Several structures of Cd(II) complexes with phth have been reported, for example, [Cd(phth)₂(4,4'-bpy)]_n (4,4'-bpy = 4,4'-bipyridine; Wang et al., 2005), [Cd(4,4'-bpy)(phth)(H₂O)]_n × 2H₂O (Suresh et al., 2001). These structures were found to be two-dimensional or three-dimensional coordination polymers with the phth and 4,4'-bpy ligands serving as bridging units. In contrast [Cd₂(phen)₄(phth)₂]

× 4H₂O (phen = 1,10-phenanthroline; Sun et al., 2005) is a binuclear complex. There have been no reports of one-dimensional Cd-bipy complexes in which phth ligands act as bridging ligands. The molecular structure of title compound is shown in Fig.1. The Cd ^II cation is in a distorted trigonal prismatic Cd N₂O₄ geometry coordinated by two N atomes of the bipy ligand and four O atoms of two bridging phth ligands and two coordinated water molecules. π-π stacking is observed between neighbouring parallel pyridine rings along 001 direction as shown in Fig.2. The distance between centroids is 3.766 (3) Å for N1 and N2ⁱ-containing rings [symmetry code: (i) –X, –Y, 1-Z]. These interactions together with hydrogen bonds stabilize the crystal structure.

Related literature

For related literature, see: Sun et al. (2005); Suresh et al. (2001); Wang et al. (2005).

S2. Experimental

A mixture of Cd(CH₃COO)₂ × 2(H₂O) (1 mmol, 0.266 g), phthalic acid (1 mmol, 0.168 g), bipy (2 mmol, 0.312 g) and H₂O (10 ml) was heated in a 23 ml stainless steel reactor with a teflon liner at 453 K for 72 h. Colorless block-shaped crystals of the title complex were obtained.

S3. Refinement

H atoms bonded to O atoms were located in difference maps and then included in the refinement with restraints for bond-length of O–H = 0.82 (2) Å and U_iso(H) = 1.5U_eq(O). H atoms bonded to C atoms were placed in calculated positions and included in the riding- model approximation, with C–H = 0.93 Å and U _iso(H) = 1.2U _eq (C of aromatic).

Computing details

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

Figures

	Fig. 1. The molecular structure of (I), with displacement ellipsoids drawn at the 50% probability level. The H atoms have been omitted for clarity [symmety code:(b) x + 1, y, z].
	Fig. 2. The molecular structure of compound (I), showing the formation of π-π stacking. Packing diagram of one-dimensional chains structure along 001 direction.

catena-Poly[[diaqua(2,2'-bipyridine-κ²N,N')cadmium(II)]- µ-phthalato-κ²O:O']

Crystal data

[Cd(C8H4O4)(C10H8N2)(H2O)2]	Z = 2
Mr = 468.73	F(000) = 468
Triclinic, P1	Dx = 1.807 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.1268 (5) Å	Cell parameters from 4016 reflections
b = 10.0900 (8) Å	θ = 2.6–28.3°
c = 12.2110 (9) Å	µ = 1.31 mm^−1
α = 92.676 (1)°	T = 293 K
β = 100.809 (1)°	Block, colorless
γ = 90.382 (1)°	0.40 × 0.32 × 0.22 mm
V = 861.5 (1) Å^3

Data collection

Bruker SMART CCD area-detector diffractometer	3237 independent reflections
Radiation source: fine-focus sealed tube	2993 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.053
φ and ω scans	θmax = 25.8°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 2001)	h = −7→8
Tmin = 0.623, Tmax = 0.972	k = −12→9
5178 measured reflections	l = −14→14

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.034	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.106	H atoms treated by a mixture of independent and constrained refinement
S = 1.17	w = 1/[σ^2(Fo^2) + (0.0547P)^2 + 0.8703P] where P = (Fo^2 + 2Fc^2)/3
3237 reflections	(Δ/σ)max < 0.001
256 parameters	Δρmax = 0.77 e Å^−3
6 restraints	Δρmin = −1.11 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Cd2	0.17038 (4)	0.02430 (3)	0.23625 (2)	0.02881 (13)
N1	0.1757 (5)	−0.1635 (4)	0.3463 (3)	0.0335 (8)
N2	0.2500 (5)	0.0849 (4)	0.4289 (3)	0.0358 (8)
O1	−0.0341 (4)	0.1911 (3)	0.2320 (3)	0.0367 (7)
O1W	0.3260 (5)	−0.1045 (3)	0.1228 (3)	0.0368 (7)
O2W	−0.1092 (5)	−0.0851 (3)	0.1248 (3)	0.0378 (7)
C1	−0.0826 (6)	0.2393 (4)	0.1376 (4)	0.0318 (9)
C2	−0.2245 (6)	0.3485 (4)	0.1321 (3)	0.0272 (8)
C3	−0.1681 (7)	0.4770 (4)	0.1130 (4)	0.0371 (10)
H3	−0.0472	0.4919	0.0973	0.045*
C4	−0.2906 (8)	0.5825 (5)	0.1172 (4)	0.0511 (13)
H4	−0.2524	0.6674	0.1032	0.061*
C5	−0.4691 (8)	0.5617 (5)	0.1420 (4)	0.0480 (12)
H5	−0.5498	0.6330	0.1462	0.058*
C6	−0.5291 (7)	0.4355 (5)	0.1608 (4)	0.0388 (10)
H6	−0.6495	0.4219	0.1777	0.047*
C7	−0.4064 (6)	0.3275 (4)	0.1542 (3)	0.0300 (8)
C8	−0.4824 (6)	0.1897 (4)	0.1651 (3)	0.0290 (8)
C9	0.1466 (7)	−0.2885 (5)	0.3006 (4)	0.0436 (11)
H9	0.1229	−0.3007	0.2232	0.052*
C10	0.1505 (8)	−0.3987 (5)	0.3640 (5)	0.0520 (13)
H10	0.1322	−0.4835	0.3301	0.062*
C11	0.1822 (9)	−0.3802 (5)	0.4781 (5)	0.0537 (13)
H11	0.1841	−0.4525	0.5229	0.064*
C12	0.2110 (8)	−0.2535 (5)	0.5255 (4)	0.0462 (11)
H12	0.2329	−0.2397	0.6027	0.055*
C13	0.2073 (6)	−0.1463 (4)	0.4578 (3)	0.0321 (9)
C14	0.2451 (6)	−0.0068 (4)	0.5035 (3)	0.0314 (9)
C15	0.2745 (7)	0.0255 (5)	0.6174 (4)	0.0392 (10)
H15	0.2672	−0.0394	0.6681	0.047*
C16	0.3146 (7)	0.1553 (5)	0.6536 (4)	0.0440 (11)
H16	0.3362	0.1790	0.7295	0.053*
C17	0.3227 (7)	0.2497 (5)	0.5776 (4)	0.0436 (11)
H17	0.3508	0.3380	0.6007	0.052*
C18	0.2879 (7)	0.2104 (5)	0.4658 (4)	0.0423 (11)
H18	0.2911	0.2744	0.4138	0.051*
O2	−0.0222 (5)	0.2038 (4)	0.0518 (3)	0.0463 (8)
O3	−0.6024 (5)	0.1793 (3)	0.2278 (3)	0.0413 (7)
O4	−0.4241 (4)	0.0953 (3)	0.1102 (3)	0.0391 (7)
H1WA	0.399 (7)	−0.051 (5)	0.104 (4)	0.059*
H2WA	−0.191 (6)	−0.029 (4)	0.118 (4)	0.059*
H2WB	−0.097 (8)	−0.110 (5)	0.062 (2)	0.059*
H1WB	0.257 (7)	−0.134 (5)	0.065 (3)	0.059*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cd2	0.02976 (19)	0.03001 (19)	0.02768 (19)	0.00116 (12)	0.00831 (12)	0.00022 (12)
N1	0.0322 (18)	0.036 (2)	0.0335 (19)	0.0057 (15)	0.0087 (15)	−0.0001 (15)
N2	0.042 (2)	0.036 (2)	0.0293 (18)	−0.0033 (16)	0.0057 (15)	0.0006 (15)
O1	0.0343 (16)	0.0360 (17)	0.0393 (17)	0.0116 (13)	0.0054 (13)	0.0012 (13)
O1W	0.0405 (18)	0.0376 (17)	0.0347 (16)	0.0052 (14)	0.0138 (14)	−0.0025 (13)
O2W	0.0354 (17)	0.0392 (18)	0.0403 (17)	0.0083 (13)	0.0114 (14)	−0.0014 (14)
C1	0.029 (2)	0.032 (2)	0.034 (2)	−0.0082 (17)	0.0063 (17)	−0.0033 (17)
C2	0.031 (2)	0.027 (2)	0.0227 (18)	−0.0014 (16)	0.0054 (15)	−0.0027 (15)
C3	0.039 (2)	0.034 (2)	0.037 (2)	−0.0018 (18)	0.0064 (19)	0.0031 (18)
C4	0.071 (4)	0.029 (2)	0.050 (3)	−0.009 (2)	0.004 (3)	0.005 (2)
C5	0.054 (3)	0.032 (2)	0.056 (3)	0.015 (2)	0.007 (2)	−0.002 (2)
C6	0.034 (2)	0.039 (2)	0.043 (3)	0.0064 (19)	0.0091 (19)	−0.0056 (19)
C7	0.032 (2)	0.030 (2)	0.028 (2)	0.0008 (17)	0.0066 (16)	−0.0004 (16)
C8	0.0262 (19)	0.030 (2)	0.030 (2)	−0.0011 (16)	0.0053 (16)	0.0014 (16)
C9	0.050 (3)	0.037 (3)	0.044 (3)	0.002 (2)	0.010 (2)	−0.002 (2)
C10	0.056 (3)	0.032 (3)	0.069 (4)	0.003 (2)	0.015 (3)	0.000 (2)
C11	0.071 (4)	0.036 (3)	0.055 (3)	−0.003 (2)	0.010 (3)	0.012 (2)
C12	0.055 (3)	0.044 (3)	0.040 (3)	0.000 (2)	0.006 (2)	0.011 (2)
C13	0.027 (2)	0.037 (2)	0.032 (2)	0.0065 (17)	0.0055 (16)	0.0013 (17)
C14	0.0217 (18)	0.038 (2)	0.035 (2)	0.0072 (16)	0.0071 (16)	0.0049 (18)
C15	0.044 (3)	0.044 (3)	0.030 (2)	0.010 (2)	0.0092 (19)	0.0020 (19)
C16	0.044 (3)	0.051 (3)	0.034 (2)	0.005 (2)	0.002 (2)	−0.005 (2)
C17	0.050 (3)	0.038 (3)	0.040 (3)	−0.007 (2)	0.004 (2)	−0.009 (2)
C18	0.050 (3)	0.037 (2)	0.041 (3)	−0.004 (2)	0.010 (2)	0.0032 (19)
O2	0.0446 (19)	0.052 (2)	0.0456 (19)	−0.0010 (16)	0.0219 (16)	−0.0116 (16)
O3	0.0431 (18)	0.0395 (18)	0.0457 (18)	−0.0065 (14)	0.0213 (15)	−0.0042 (14)
O4	0.0381 (17)	0.0321 (16)	0.0505 (19)	−0.0041 (13)	0.0194 (15)	−0.0047 (14)

Geometric parameters (Å, º)

Cd2—O1	2.229 (3)	C5—H5	0.9300
Cd2—O3^i	2.264 (3)	C6—C7	1.410 (6)
Cd2—O1W	2.295 (3)	C6—H6	0.9300
Cd2—N2	2.364 (4)	C7—C8	1.510 (6)
Cd2—N1	2.370 (4)	C8—O4	1.256 (5)
Cd2—O2W	2.419 (3)	C8—O3	1.257 (5)
N1—C13	1.341 (6)	C9—C10	1.382 (7)
N1—C9	1.353 (6)	C9—H9	0.9300
N2—C18	1.333 (6)	C10—C11	1.373 (8)
N2—C14	1.334 (5)	C10—H10	0.9300
O1—C1	1.262 (5)	C11—C12	1.376 (7)
O1W—H1WA	0.817 (19)	C11—H11	0.9300
O1W—H1WB	0.821 (19)	C12—C13	1.389 (6)
O2W—H2WA	0.807 (19)	C12—H12	0.9300
O2W—H2WB	0.821 (19)	C13—C14	1.494 (6)
C1—O2	1.243 (5)	C14—C15	1.390 (6)
C1—C2	1.496 (6)	C15—C16	1.373 (7)
C2—C7	1.389 (6)	C15—H15	0.9300
C2—C3	1.398 (6)	C16—C17	1.369 (7)
C3—C4	1.386 (7)	C16—H16	0.9300
C3—H3	0.9300	C17—C18	1.380 (7)
C4—C5	1.379 (8)	C17—H17	0.9300
C4—H4	0.9300	C18—H18	0.9300
C5—C6	1.383 (7)	O3—Cd2^ii	2.264 (3)
O1—Cd2—O3^i	86.89 (12)	C6—C5—H5	119.7
O1—Cd2—O1W	141.77 (11)	C5—C6—C7	119.5 (4)
O3^i—Cd2—O1W	85.07 (11)	C5—C6—H6	120.2
O1—Cd2—N2	84.07 (12)	C7—C6—H6	120.2
O3^i—Cd2—N2	81.96 (12)	C2—C7—C6	120.1 (4)
O1W—Cd2—N2	131.33 (12)	C2—C7—C8	121.6 (4)
O1—Cd2—N1	125.60 (12)	C6—C7—C8	118.2 (4)
O3^i—Cd2—N1	131.22 (12)	O4—C8—O3	125.2 (4)
O1W—Cd2—N1	86.34 (12)	O4—C8—C7	118.2 (4)
N2—Cd2—N1	68.64 (12)	O3—C8—C7	116.6 (4)
O1—Cd2—O2W	81.03 (11)	N1—C9—C10	122.8 (5)
O3^i—Cd2—O2W	141.92 (12)	N1—C9—H9	118.6
O1W—Cd2—O2W	82.64 (11)	C10—C9—H9	118.6
N2—Cd2—O2W	131.78 (12)	C11—C10—C9	118.5 (5)
N1—Cd2—O2W	83.77 (12)	C11—C10—H10	120.8
C13—N1—C9	118.3 (4)	C9—C10—H10	120.8
C13—N1—Cd2	119.3 (3)	C10—C11—C12	119.2 (5)
C9—N1—Cd2	122.3 (3)	C10—C11—H11	120.4
C18—N2—C14	118.4 (4)	C12—C11—H11	120.4
C18—N2—Cd2	121.9 (3)	C11—C12—C13	119.9 (5)
C14—N2—Cd2	119.6 (3)	C11—C12—H12	120.0
C1—O1—Cd2	114.5 (3)	C13—C12—H12	120.0
Cd2—O1W—H1WA	102 (4)	N1—C13—C12	121.3 (4)
Cd2—O1W—H1WB	114 (4)	N1—C13—C14	115.9 (4)
H1WA—O1W—H1WB	107 (3)	C12—C13—C14	122.8 (4)
Cd2—O2W—H2WA	105 (4)	N2—C14—C15	121.9 (4)
Cd2—O2W—H2WB	115 (4)	N2—C14—C13	116.2 (4)
H2WA—O2W—H2WB	107 (3)	C15—C14—C13	121.9 (4)
O2—C1—O1	125.5 (4)	C16—C15—C14	118.7 (4)
O2—C1—C2	119.2 (4)	C16—C15—H15	120.6
O1—C1—C2	115.3 (4)	C14—C15—H15	120.6
C7—C2—C3	119.0 (4)	C17—C16—C15	119.8 (4)
C7—C2—C1	121.5 (4)	C17—C16—H16	120.1
C3—C2—C1	119.2 (4)	C15—C16—H16	120.1
C4—C3—C2	120.7 (4)	C16—C17—C18	118.1 (4)
C4—C3—H3	119.7	C16—C17—H17	120.9
C2—C3—H3	119.7	C18—C17—H17	120.9
C5—C4—C3	120.0 (4)	N2—C18—C17	123.1 (4)
C5—C4—H4	120.0	N2—C18—H18	118.5
C3—C4—H4	120.0	C17—C18—H18	118.5
C4—C5—C6	120.6 (4)	C8—O3—Cd2^ii	132.5 (3)
C4—C5—H5	119.7
O1—Cd2—N1—C13	−61.5 (3)	C1—C2—C7—C6	172.8 (4)
O3^i—Cd2—N1—C13	61.1 (4)	C3—C2—C7—C8	174.3 (4)
O1W—Cd2—N1—C13	141.3 (3)	C1—C2—C7—C8	−10.7 (6)
N2—Cd2—N1—C13	3.9 (3)	C5—C6—C7—C2	1.9 (7)
O2W—Cd2—N1—C13	−135.7 (3)	C5—C6—C7—C8	−174.7 (4)
O1—Cd2—N1—C9	118.0 (3)	C2—C7—C8—O4	−30.1 (6)
O3^i—Cd2—N1—C9	−119.4 (3)	C6—C7—C8—O4	146.4 (4)
O1W—Cd2—N1—C9	−39.2 (3)	C2—C7—C8—O3	150.9 (4)
N2—Cd2—N1—C9	−176.6 (4)	C6—C7—C8—O3	−32.5 (6)
O2W—Cd2—N1—C9	43.8 (3)	C13—N1—C9—C10	−0.9 (7)
O1—Cd2—N2—C18	−48.8 (4)	Cd2—N1—C9—C10	179.6 (4)
O3^i—Cd2—N2—C18	38.9 (4)	N1—C9—C10—C11	1.1 (8)
O1W—Cd2—N2—C18	115.0 (4)	C9—C10—C11—C12	−0.8 (9)
N1—Cd2—N2—C18	179.2 (4)	C10—C11—C12—C13	0.2 (8)
O2W—Cd2—N2—C18	−121.1 (4)	C9—N1—C13—C12	0.2 (6)
O1—Cd2—N2—C14	126.7 (3)	Cd2—N1—C13—C12	179.8 (3)
O3^i—Cd2—N2—C14	−145.6 (3)	C9—N1—C13—C14	178.0 (4)
O1W—Cd2—N2—C14	−69.5 (4)	Cd2—N1—C13—C14	−2.5 (5)
N1—Cd2—N2—C14	−5.3 (3)	C11—C12—C13—N1	0.1 (7)
O2W—Cd2—N2—C14	54.4 (4)	C11—C12—C13—C14	−177.5 (5)
O3^i—Cd2—O1—C1	74.7 (3)	C18—N2—C14—C15	1.3 (6)
O1W—Cd2—O1—C1	−3.3 (4)	Cd2—N2—C14—C15	−174.4 (3)
N2—Cd2—O1—C1	157.0 (3)	C18—N2—C14—C13	−178.4 (4)
N1—Cd2—O1—C1	−144.7 (3)	Cd2—N2—C14—C13	6.0 (5)
O2W—Cd2—O1—C1	−69.0 (3)	N1—C13—C14—N2	−2.3 (5)
Cd2—O1—C1—O2	−2.1 (5)	C12—C13—C14—N2	175.5 (4)
Cd2—O1—C1—C2	178.2 (2)	N1—C13—C14—C15	178.1 (4)
O2—C1—C2—C7	118.2 (4)	C12—C13—C14—C15	−4.2 (6)
O1—C1—C2—C7	−62.0 (5)	N2—C14—C15—C16	−1.7 (7)
O2—C1—C2—C3	−66.8 (5)	C13—C14—C15—C16	177.9 (4)
O1—C1—C2—C3	112.9 (4)	C14—C15—C16—C17	0.7 (7)
C7—C2—C3—C4	0.8 (6)	C15—C16—C17—C18	0.6 (8)
C1—C2—C3—C4	−174.3 (4)	C14—N2—C18—C17	0.1 (7)
C2—C3—C4—C5	1.0 (7)	Cd2—N2—C18—C17	175.7 (4)
C3—C4—C5—C6	−1.3 (8)	C16—C17—C18—N2	−1.1 (8)
C4—C5—C6—C7	−0.1 (8)	O4—C8—O3—Cd2^ii	−21.6 (7)
C3—C2—C7—C6	−2.2 (6)	C7—C8—O3—Cd2^ii	157.3 (3)

Symmetry codes: (i) x+1, y, z; (ii) x−1, y, z.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···O4^i	0.82 (2)	1.92 (2)	2.709 (4)	161 (5)
O2W—H2WA···O4	0.81 (2)	2.08 (2)	2.884 (4)	172 (6)
O2W—H2WB···O2^iii	0.82 (2)	1.97 (2)	2.738 (4)	156 (5)
O1W—H1WB···O2^iii	0.82 (2)	2.08 (2)	2.877 (5)	164 (5)

Symmetry codes: (i) x+1, y, z; (iii) −x, −y, −z.