Di-μ-chlorido-bis-[(2'-carb-oxybiphen-yl-2-carboxyl-ato-κO)(2,2':6',2''-terpyridine-κN,N',N'')cadmium(II)] hemihydrate.

In the centrosymmetric dinuclear title compound, [Cd(2)(C(14)H(9)O(4))(2)Cl(2)(C(15)H(11)N(3))(2)]·0.5H(2)O, each of the Cd(II) ions is coordinated by three N atoms from a chelating 2,2':6',2''-terpyridine ligand, two bridging Cl atoms and one O atom of a 2'-carb-oxy-[1,1'-biphen-yl]-2-carboxyl-ate anion. The coordination environment is distorted octa-hedral. In the crystal, inter-molecular O-H⋯O hydrogen bonds link symmetry-related mol-ecules, forming an infinite chain. The half-occupancy water mol-ecule is disordered over two general sites with 0.25 occupancy and is, in turn, disordered over an inversion center.

Related literature

For background chemistry, see: Meng et al. (2004 ▶). For related structures, see: Liu (2009 ▶); Xian et al. (2008 ▶); Qu & Li (2008 ▶); Han et al. (2008 ▶); Du et al. (2008 ▶); Wang et al. (2008 ▶); Kurawa et al. (2008 ▶); An et al. (2009 ▶); Seidel & Oppel (2009 ▶).

Experimental

Crystal data

[Cd2(C14H9O4)2Cl2(C15H11N3)2]·0.5H2O

M = 1253.67

Triclinic,

a = 9.5673 (18) Å

b = 11.575 (2) Å

c = 12.565 (2) Å

α = 96.233 (4)°

β = 96.927 (4)°

γ = 108.132 (3)°

V = 1297.0 (4) Å3

Z = 1

Mo Kα radiation

μ = 0.99 mm−1

T = 296 K

0.28 × 0.26 × 0.24 mm

Data collection

Bruker APEXII CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.770, T max = 0.798

7084 measured reflections

4529 independent reflections

3969 reflections with I > 2σ(I)

R int = 0.059

Refinement

R[F 2 > 2σ(F 2)] = 0.046

wR(F 2) = 0.124

S = 1.01

4529 reflections

353 parameters

H-atom parameters constrained

Δρmax = 1.33 e Å−3

Δρmin = −0.98 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL and DIAMOND (Brandenburg & Putz, 1999 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809042044/nk2006sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809042044/nk2006Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Cd2(C14H9O4)2Cl2(C15H11N3)2]·0.5H2O	Z = 1
Mr = 1253.67	F(000) = 629
Triclinic, P1	Dx = 1.605 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.5673 (18) Å	Cell parameters from 4272 reflections
b = 11.575 (2) Å	θ = 3.0–27.8°
c = 12.565 (2) Å	µ = 0.99 mm−1
α = 96.233 (4)°	T = 296 K
β = 96.927 (4)°	Block, colourless
γ = 108.132 (3)°	0.28 × 0.26 × 0.24 mm
V = 1297.0 (4) Å3

Bruker APEXII CCD area-detector diffractometer	4529 independent reflections
Radiation source: sealed tube	3969 reflections with I > 2σ(I)
graphite	Rint = 0.059
ω scans	θmax = 25.0°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −11→6
Tmin = 0.770, Tmax = 0.798	k = −11→13
7084 measured reflections	l = −13→14

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)] = 0.046	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.124	H-atom parameters constrained
S = 1.01	w = 1/[σ2(Fo2) + (0.0854P)2] where P = (Fo2 + 2Fc2)/3
4529 reflections	(Δ/σ)max = 0.001
353 parameters	Δρmax = 1.33 e Å−3
0 restraints	Δρmin = −0.98 e Å−3

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	Occ. (<1)
Cd1	0.89580 (3)	0.91082 (2)	0.60537 (2)	0.03337 (14)
Cl1	1.04993 (13)	0.86663 (10)	0.46861 (10)	0.0456 (3)
N1	1.0075 (4)	1.0318 (3)	0.7764 (3)	0.0380 (8)
N2	0.7167 (4)	0.9594 (3)	0.6971 (3)	0.0315 (7)
N3	0.6578 (4)	0.8338 (3)	0.4963 (3)	0.0379 (8)
O1	0.8489 (4)	0.7257 (3)	0.6690 (3)	0.0480 (7)
O2	1.0910 (4)	0.7855 (3)	0.7351 (2)	0.0473 (7)
O3	1.2591 (4)	0.7729 (3)	0.8974 (2)	0.0490 (8)
H3A	1.2060	0.7691	0.8399	0.073*
O4	1.4450 (4)	0.7087 (4)	0.9518 (3)	0.0715 (11)
C1	0.9344 (5)	0.5939 (3)	0.7723 (3)	0.0359 (9)
C2	0.8088 (5)	0.5557 (4)	0.8212 (3)	0.0446 (10)
H2	0.7380	0.5954	0.8137	0.054*
C3	0.7870 (6)	0.4608 (4)	0.8802 (4)	0.0500 (12)
H3	0.7036	0.4381	0.9142	0.060*
C4	0.8886 (6)	0.3989 (4)	0.8894 (4)	0.0532 (13)
H4	0.8749	0.3352	0.9304	0.064*
C5	1.0103 (6)	0.4316 (4)	0.8374 (4)	0.0480 (11)
H5	1.0761	0.3870	0.8414	0.058*
C6	1.0381 (5)	0.5304 (3)	0.7786 (3)	0.0362 (9)
C7	1.1713 (5)	0.5553 (3)	0.7216 (3)	0.0369 (9)
C8	1.3159 (5)	0.6283 (4)	0.7719 (3)	0.0387 (9)
C9	1.4367 (5)	0.6326 (4)	0.7207 (4)	0.0503 (11)
H9	1.5322	0.6786	0.7562	0.060*
C10	1.4179 (7)	0.5693 (5)	0.6174 (5)	0.0644 (15)
H10	1.4998	0.5742	0.5828	0.077*
C11	1.2763 (7)	0.4989 (5)	0.5660 (4)	0.0659 (15)
H11	1.2627	0.4568	0.4961	0.079*
C12	1.1544 (6)	0.4905 (4)	0.6176 (4)	0.0484 (11)
H12	1.0599	0.4410	0.5827	0.058*
C13	0.9598 (5)	0.7096 (4)	0.7199 (3)	0.0379 (9)
C14	1.3450 (5)	0.7058 (4)	0.8823 (4)	0.0458 (11)
C15	1.1542 (6)	1.0720 (4)	0.8099 (4)	0.0524 (12)
H15	1.2147	1.0521	0.7634	0.063*
C16	1.2213 (6)	1.1415 (5)	0.9098 (5)	0.0651 (15)
H16	1.3244	1.1690	0.9299	0.078*
C17	1.1310 (7)	1.1688 (5)	0.9785 (5)	0.0679 (16)
H17	1.1723	1.2139	1.0472	0.081*
C18	0.9788 (6)	1.1290 (4)	0.9454 (4)	0.0549 (12)
H18	0.9168	1.1472	0.9914	0.066*
C19	0.9188 (5)	1.0611 (3)	0.8423 (3)	0.0379 (9)
C20	0.7568 (5)	1.0186 (3)	0.7991 (3)	0.0360 (9)
C21	0.6505 (6)	1.0399 (4)	0.8586 (4)	0.0490 (11)
H21	0.6786	1.0824	0.9291	0.059*
C22	0.5042 (6)	0.9969 (4)	0.8106 (4)	0.0582 (13)
H22	0.4320	1.0088	0.8499	0.070*
C23	0.4613 (5)	0.9365 (4)	0.7058 (4)	0.0504 (12)
H23	0.3617	0.9082	0.6732	0.060*
C24	0.5730 (4)	0.9188 (3)	0.6493 (4)	0.0367 (9)
C25	0.5410 (4)	0.8528 (3)	0.5354 (3)	0.0370 (9)
C26	0.3985 (5)	0.8115 (4)	0.4741 (4)	0.0545 (12)
H26	0.3191	0.8262	0.5024	0.065*
C27	0.3772 (6)	0.7487 (5)	0.3713 (5)	0.0657 (15)
H27	0.2828	0.7202	0.3293	0.079*
C28	0.4959 (6)	0.7279 (5)	0.3300 (4)	0.0609 (14)
H28	0.4833	0.6860	0.2602	0.073*
C29	0.6342 (6)	0.7711 (4)	0.3953 (4)	0.0498 (11)
H29	0.7144	0.7563	0.3684	0.060*
O1W	0.4261 (19)	0.4352 (14)	0.9220 (13)	0.082 (5)	0.25
H1WA	0.4041	0.4079	0.9801	0.099*	0.25
H1WB	0.3928	0.4943	0.9141	0.099*	0.25

	U11	U22	U33	U12	U13	U23
Cd1	0.0282 (2)	0.0394 (2)	0.0330 (2)	0.01333 (13)	0.00468 (13)	0.00142 (13)
Cl1	0.0510 (7)	0.0417 (5)	0.0576 (7)	0.0264 (5)	0.0265 (5)	0.0117 (5)
N1	0.037 (2)	0.0405 (18)	0.0375 (18)	0.0179 (15)	0.0011 (15)	−0.0009 (14)
N2	0.0292 (18)	0.0307 (16)	0.0391 (18)	0.0148 (13)	0.0105 (14)	0.0045 (13)
N3	0.0338 (19)	0.0389 (18)	0.0416 (19)	0.0134 (15)	0.0049 (15)	0.0054 (15)
O1	0.0488 (19)	0.0480 (17)	0.0532 (19)	0.0249 (15)	0.0036 (15)	0.0120 (14)
O2	0.049 (2)	0.0382 (15)	0.0574 (19)	0.0157 (14)	0.0107 (15)	0.0130 (14)
O3	0.052 (2)	0.0532 (18)	0.0356 (16)	0.0137 (16)	0.0057 (14)	−0.0074 (14)
O4	0.056 (2)	0.085 (3)	0.058 (2)	0.010 (2)	−0.0181 (18)	0.0130 (19)
C1	0.039 (2)	0.0345 (19)	0.031 (2)	0.0106 (17)	−0.0013 (17)	0.0006 (16)
C2	0.040 (3)	0.049 (2)	0.042 (2)	0.014 (2)	0.0034 (19)	0.0007 (19)
C3	0.045 (3)	0.051 (3)	0.042 (3)	−0.001 (2)	0.007 (2)	0.006 (2)
C4	0.062 (3)	0.043 (2)	0.048 (3)	0.006 (2)	0.005 (2)	0.016 (2)
C5	0.058 (3)	0.038 (2)	0.047 (3)	0.014 (2)	0.003 (2)	0.0102 (19)
C6	0.039 (2)	0.0317 (19)	0.033 (2)	0.0102 (17)	−0.0032 (17)	0.0005 (16)
C7	0.046 (3)	0.0321 (19)	0.036 (2)	0.0194 (18)	0.0039 (18)	0.0052 (16)
C8	0.041 (2)	0.036 (2)	0.043 (2)	0.0174 (18)	0.0052 (19)	0.0100 (17)
C9	0.041 (3)	0.047 (2)	0.070 (3)	0.022 (2)	0.012 (2)	0.015 (2)
C10	0.074 (4)	0.057 (3)	0.079 (4)	0.034 (3)	0.037 (3)	0.012 (3)
C11	0.091 (5)	0.058 (3)	0.058 (3)	0.036 (3)	0.029 (3)	−0.007 (2)
C12	0.057 (3)	0.043 (2)	0.044 (2)	0.021 (2)	0.002 (2)	−0.0056 (19)
C13	0.046 (3)	0.040 (2)	0.032 (2)	0.020 (2)	0.0075 (18)	0.0031 (17)
C14	0.043 (3)	0.048 (2)	0.037 (2)	0.003 (2)	0.001 (2)	0.0098 (19)
C15	0.044 (3)	0.055 (3)	0.055 (3)	0.021 (2)	−0.005 (2)	−0.007 (2)
C16	0.047 (3)	0.057 (3)	0.078 (4)	0.019 (2)	−0.024 (3)	−0.020 (3)
C17	0.075 (4)	0.059 (3)	0.061 (3)	0.035 (3)	−0.026 (3)	−0.023 (3)
C18	0.068 (3)	0.055 (3)	0.044 (3)	0.033 (3)	−0.002 (2)	−0.008 (2)
C19	0.049 (3)	0.0319 (19)	0.036 (2)	0.0203 (18)	0.0048 (19)	0.0027 (16)
C20	0.043 (2)	0.0335 (19)	0.036 (2)	0.0175 (17)	0.0098 (18)	0.0083 (16)
C21	0.057 (3)	0.052 (3)	0.047 (3)	0.027 (2)	0.022 (2)	0.005 (2)
C22	0.058 (3)	0.058 (3)	0.070 (3)	0.027 (2)	0.035 (3)	0.009 (3)
C23	0.030 (2)	0.056 (3)	0.070 (3)	0.019 (2)	0.018 (2)	0.007 (2)
C24	0.032 (2)	0.0327 (19)	0.050 (2)	0.0146 (16)	0.0097 (18)	0.0098 (17)
C25	0.031 (2)	0.0304 (19)	0.050 (2)	0.0097 (16)	0.0021 (18)	0.0116 (17)
C26	0.034 (3)	0.058 (3)	0.072 (3)	0.020 (2)	−0.003 (2)	0.007 (2)
C27	0.042 (3)	0.071 (3)	0.067 (4)	0.009 (2)	−0.018 (3)	−0.001 (3)
C28	0.056 (3)	0.058 (3)	0.053 (3)	0.011 (2)	−0.012 (2)	−0.010 (2)
C29	0.048 (3)	0.051 (3)	0.048 (3)	0.019 (2)	−0.002 (2)	−0.004 (2)
O1W	0.094 (13)	0.085 (11)	0.094 (12)	0.060 (10)	0.012 (10)	0.039 (10)

Cd1—O1	2.301 (3)	C9—C10	1.381 (7)
Cd1—N2	2.349 (3)	C9—H9	0.9300
Cd1—N3	2.362 (3)	C10—C11	1.380 (8)
Cd1—N1	2.363 (3)	C10—H10	0.9300
Cd1—Cl1	2.5058 (11)	C11—C12	1.384 (7)
Cd1—Cl1i	2.7520 (12)	C11—H11	0.9300
Cl1—Cd1i	2.7520 (11)	C12—H12	0.9300
N1—C15	1.331 (6)	C15—C16	1.378 (7)
N1—C19	1.345 (5)	C15—H15	0.9300
N2—C20	1.336 (5)	C16—C17	1.372 (8)
N2—C24	1.345 (5)	C16—H16	0.9300
N3—C25	1.342 (5)	C17—C18	1.379 (8)
N3—C29	1.347 (6)	C17—H17	0.9300
O1—C13	1.247 (5)	C18—C19	1.394 (6)
O2—C13	1.266 (5)	C18—H18	0.9300
O3—C14	1.312 (6)	C19—C20	1.484 (6)
O3—H3A	0.8200	C20—C21	1.398 (6)
O4—C14	1.204 (6)	C21—C22	1.367 (7)
C1—C2	1.387 (6)	C21—H21	0.9300
C1—C6	1.405 (6)	C22—C23	1.372 (7)
C1—C13	1.521 (6)	C22—H22	0.9300
C2—C3	1.369 (6)	C23—C24	1.405 (6)
C2—H2	0.9300	C23—H23	0.9300
C3—C4	1.377 (7)	C24—C25	1.496 (6)
C3—H3	0.9300	C25—C26	1.394 (6)
C4—C5	1.374 (7)	C26—C27	1.371 (7)
C4—H4	0.9300	C26—H26	0.9300
C5—C6	1.403 (6)	C27—C28	1.379 (8)
C5—H5	0.9300	C27—H27	0.9300
C6—C7	1.502 (6)	C28—C29	1.383 (7)
C7—C12	1.399 (6)	C28—H28	0.9300
C7—C8	1.405 (6)	C29—H29	0.9300
C8—C9	1.380 (6)	O1W—H1WA	0.8500
C8—C14	1.512 (6)	O1W—H1WB	0.8500
O1—Cd1—N2	91.38 (11)	C10—C11—H11	119.8
O1—Cd1—N3	88.97 (11)	C12—C11—H11	119.8
N2—Cd1—N3	69.18 (12)	C11—C12—C7	120.9 (5)
O1—Cd1—N1	94.88 (12)	C11—C12—H12	119.5
N2—Cd1—N1	69.08 (12)	C7—C12—H12	119.5
N3—Cd1—N1	138.15 (12)	O1—C13—O2	124.4 (4)
O1—Cd1—Cl1	96.17 (8)	O1—C13—C1	117.7 (4)
N2—Cd1—Cl1	166.28 (9)	O2—C13—C1	117.7 (4)
N3—Cd1—Cl1	99.44 (9)	O4—C14—O3	121.6 (5)
N1—Cd1—Cl1	121.40 (9)	O4—C14—C8	121.8 (5)
O1—Cd1—Cl1i	179.22 (8)	O3—C14—C8	116.6 (4)
N2—Cd1—Cl1i	87.87 (8)	N1—C15—C16	123.5 (5)
N3—Cd1—Cl1i	90.99 (8)	N1—C15—H15	118.2
N1—Cd1—Cl1i	84.62 (9)	C16—C15—H15	118.2
Cl1—Cd1—Cl1i	84.61 (3)	C17—C16—C15	117.8 (5)
Cd1—Cl1—Cd1i	95.39 (3)	C17—C16—H16	121.1
C15—N1—C19	118.9 (4)	C15—C16—H16	121.1
C15—N1—Cd1	122.7 (3)	C16—C17—C18	119.7 (5)
C19—N1—Cd1	118.4 (3)	C16—C17—H17	120.1
C20—N2—C24	120.8 (3)	C18—C17—H17	120.1
C20—N2—Cd1	119.6 (3)	C17—C18—C19	119.3 (5)
C24—N2—Cd1	119.4 (3)	C17—C18—H18	120.3
C25—N3—C29	118.3 (4)	C19—C18—H18	120.3
C25—N3—Cd1	119.3 (3)	N1—C19—C18	120.7 (4)
C29—N3—Cd1	122.4 (3)	N1—C19—C20	116.6 (3)
C13—O1—Cd1	115.1 (3)	C18—C19—C20	122.7 (4)
C14—O3—H3A	109.5	N2—C20—C21	120.8 (4)
C2—C1—C6	119.7 (4)	N2—C20—C19	115.9 (3)
C2—C1—C13	117.9 (4)	C21—C20—C19	123.3 (4)
C6—C1—C13	122.2 (4)	C22—C21—C20	118.4 (4)
C3—C2—C1	121.2 (4)	C22—C21—H21	120.8
C3—C2—H2	119.4	C20—C21—H21	120.8
C1—C2—H2	119.4	C21—C22—C23	121.5 (4)
C2—C3—C4	120.1 (5)	C21—C22—H22	119.3
C2—C3—H3	120.0	C23—C22—H22	119.3
C4—C3—H3	120.0	C22—C23—C24	117.7 (4)
C5—C4—C3	119.6 (4)	C22—C23—H23	121.2
C5—C4—H4	120.2	C24—C23—H23	121.2
C3—C4—H4	120.2	N2—C24—C23	120.8 (4)
C4—C5—C6	121.8 (4)	N2—C24—C25	116.1 (3)
C4—C5—H5	119.1	C23—C24—C25	123.1 (4)
C6—C5—H5	119.1	N3—C25—C26	121.9 (4)
C5—C6—C1	117.5 (4)	N3—C25—C24	115.8 (4)
C5—C6—C7	117.3 (4)	C26—C25—C24	122.3 (4)
C1—C6—C7	125.1 (4)	C27—C26—C25	118.9 (5)
C12—C7—C8	117.8 (4)	C27—C26—H26	120.6
C12—C7—C6	118.3 (4)	C25—C26—H26	120.6
C8—C7—C6	123.5 (4)	C26—C27—C28	120.0 (5)
C9—C8—C7	120.5 (4)	C26—C27—H27	120.0
C9—C8—C14	117.7 (4)	C28—C27—H27	120.0
C7—C8—C14	121.8 (4)	C27—C28—C29	118.1 (5)
C8—C9—C10	120.9 (5)	C27—C28—H28	120.9
C8—C9—H9	119.5	C29—C28—H28	120.9
C10—C9—H9	119.5	N3—C29—C28	122.9 (5)
C11—C10—C9	119.3 (5)	N3—C29—H29	118.6
C11—C10—H10	120.4	C28—C29—H29	118.6
C9—C10—H10	120.4	H1WA—O1W—H1WB	109.5
C10—C11—C12	120.5 (5)
O1—Cd1—Cl1—Cd1i	−179.90 (8)	C8—C9—C10—C11	−1.5 (8)
N2—Cd1—Cl1—Cd1i	57.1 (3)	C9—C10—C11—C12	−0.7 (8)
N3—Cd1—Cl1—Cd1i	90.11 (9)	C10—C11—C12—C7	1.6 (8)
N1—Cd1—Cl1—Cd1i	−80.34 (10)	C8—C7—C12—C11	−0.4 (7)
Cl1i—Cd1—Cl1—Cd1i	0.0	C6—C7—C12—C11	−172.7 (4)
O1—Cd1—N1—C15	94.5 (4)	Cd1—O1—C13—O2	−1.7 (5)
N2—Cd1—N1—C15	−175.9 (4)	Cd1—O1—C13—C1	175.0 (3)
N3—Cd1—N1—C15	−171.6 (3)	C2—C1—C13—O1	−39.5 (5)
Cl1—Cd1—N1—C15	−5.8 (4)	C6—C1—C13—O1	144.7 (4)
Cl1i—Cd1—N1—C15	−86.1 (3)	C2—C1—C13—O2	137.4 (4)
O1—Cd1—N1—C19	−85.5 (3)	C6—C1—C13—O2	−38.4 (5)
N2—Cd1—N1—C19	4.1 (3)	C9—C8—C14—O4	−45.6 (6)
N3—Cd1—N1—C19	8.5 (4)	C7—C8—C14—O4	135.2 (5)
Cl1—Cd1—N1—C19	174.3 (2)	C9—C8—C14—O3	132.2 (4)
Cl1i—Cd1—N1—C19	93.9 (3)	C7—C8—C14—O3	−47.1 (6)
O1—Cd1—N2—C20	89.0 (3)	C19—N1—C15—C16	0.7 (7)
N3—Cd1—N2—C20	177.4 (3)	Cd1—N1—C15—C16	−179.2 (4)
N1—Cd1—N2—C20	−5.7 (3)	N1—C15—C16—C17	1.0 (8)
Cl1—Cd1—N2—C20	−147.5 (3)	C15—C16—C17—C18	−1.4 (8)
Cl1i—Cd1—N2—C20	−90.7 (3)	C16—C17—C18—C19	0.2 (8)
O1—Cd1—N2—C24	−85.8 (3)	C15—N1—C19—C18	−2.1 (6)
N3—Cd1—N2—C24	2.6 (3)	Cd1—N1—C19—C18	177.9 (3)
N1—Cd1—N2—C24	179.5 (3)	C15—N1—C19—C20	177.5 (4)
Cl1—Cd1—N2—C24	37.7 (5)	Cd1—N1—C19—C20	−2.6 (4)
Cl1i—Cd1—N2—C24	94.5 (3)	C17—C18—C19—N1	1.6 (7)
O1—Cd1—N3—C25	91.9 (3)	C17—C18—C19—C20	−177.9 (4)
N2—Cd1—N3—C25	0.1 (3)	C24—N2—C20—C21	−0.1 (6)
N1—Cd1—N3—C25	−4.2 (4)	Cd1—N2—C20—C21	−174.8 (3)
Cl1—Cd1—N3—C25	−172.0 (3)	C24—N2—C20—C19	−178.8 (3)
Cl1i—Cd1—N3—C25	−87.3 (3)	Cd1—N2—C20—C19	6.4 (4)
O1—Cd1—N3—C29	−88.3 (3)	N1—C19—C20—N2	−2.5 (5)
N2—Cd1—N3—C29	179.9 (4)	C18—C19—C20—N2	177.0 (4)
N1—Cd1—N3—C29	175.6 (3)	N1—C19—C20—C21	178.8 (4)
Cl1—Cd1—N3—C29	7.8 (3)	C18—C19—C20—C21	−1.7 (6)
Cl1i—Cd1—N3—C29	92.5 (3)	N2—C20—C21—C22	1.2 (6)
N2—Cd1—O1—C13	−123.7 (3)	C19—C20—C21—C22	179.8 (4)
N3—Cd1—O1—C13	167.1 (3)	C20—C21—C22—C23	−1.5 (7)
N1—Cd1—O1—C13	−54.6 (3)	C21—C22—C23—C24	0.8 (7)
Cl1—Cd1—O1—C13	67.8 (3)	C20—N2—C24—C23	−0.7 (6)
C6—C1—C2—C3	3.2 (6)	Cd1—N2—C24—C23	174.1 (3)
C13—C1—C2—C3	−172.7 (4)	C20—N2—C24—C25	−179.4 (3)
C1—C2—C3—C4	−1.9 (7)	Cd1—N2—C24—C25	−4.7 (4)
C2—C3—C4—C5	−1.1 (7)	C22—C23—C24—N2	0.4 (6)
C3—C4—C5—C6	2.8 (7)	C22—C23—C24—C25	179.0 (4)
C4—C5—C6—C1	−1.4 (6)	C29—N3—C25—C26	−1.0 (6)
C4—C5—C6—C7	−177.8 (4)	Cd1—N3—C25—C26	178.8 (3)
C2—C1—C6—C5	−1.6 (6)	C29—N3—C25—C24	177.8 (4)
C13—C1—C6—C5	174.2 (4)	Cd1—N3—C25—C24	−2.3 (4)
C2—C1—C6—C7	174.5 (4)	N2—C24—C25—N3	4.6 (5)
C13—C1—C6—C7	−9.7 (6)	C23—C24—C25—N3	−174.2 (4)
C5—C6—C7—C12	85.8 (5)	N2—C24—C25—C26	−176.6 (4)
C1—C6—C7—C12	−90.3 (5)	C23—C24—C25—C26	4.7 (6)
C5—C6—C7—C8	−86.0 (5)	N3—C25—C26—C27	0.5 (7)
C1—C6—C7—C8	97.9 (5)	C24—C25—C26—C27	−178.2 (4)
C12—C7—C8—C9	−1.7 (6)	C25—C26—C27—C28	−0.2 (8)
C6—C7—C8—C9	170.2 (4)	C26—C27—C28—C29	0.5 (8)
C12—C7—C8—C14	177.5 (4)	C25—N3—C29—C28	1.2 (7)
C6—C7—C8—C14	−10.6 (6)	Cd1—N3—C29—C28	−178.6 (4)
C7—C8—C9—C10	2.7 (7)	C27—C28—C29—N3	−1.0 (8)
C14—C8—C9—C10	−176.6 (4)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H3A···O2	0.82	1.68	2.487 (4)	169
O1W—H1WA···O4ii	0.85	2.41	2.862 (14)	114
O1W—H1WB···O4iii	0.85	2.36	3.093 (16)	145
C16—H16···O4iv	0.93	2.43	3.284 (6)	153
C21—H21···O3v	0.93	2.49	3.405 (6)	169
C26—H26···Cl1iii	0.93	2.75	3.579 (5)	149

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H3A⋯O2	0.82	1.68	2.487 (4)	169
O1W—H1WA⋯O4i	0.85	2.41	2.862 (14)	114
O1W—H1WB⋯O4ii	0.85	2.36	3.093 (16)	145

Symmetry codes: (i) ; (ii) .