cis-(Nitrato-κ(2)O,O')(2,5,5,7,9,12,12,14-octa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-κ(4)N,N',N'',N''')cadmium nitrate hemihydrate.

The Cd(II) atom in the title complex, [Cd(NO(3))(C(18)H(40)N(4))]NO(3)·0.5H(2)O, is coordinated within a cis-N(4)O(2) donor set provided by the tetra-dentate macrocyclic ligand and two O atoms of a nitrate anion; the coordination geometry is distorted octa-hedral. The lattice water mol-ecule is located on a twofold rotation axis. N-H⋯O hydrogen bonds and weak C-H⋯O inter-actions link the complex cations into a supra-molecular layer in the bc plane. Layers are connected by O-H⋯O hydrogen bonds between the lattice water mol-ecule and the non-coordinating nitrate anion, as well as by weak C-H⋯O contacts.

Related literature

For background to macrocyclic complexes, see: Hazari et al. (2008 ▶). For the crystal structure of the anhydrous form of the title complex, see: Hazari et al. (2010 ▶). For the synthesis of the macrocyclic ligand, see: Bembi et al. (1989 ▶).

Experimental

Crystal data

[Cd(NO3)(C18H40N4)]NO3·0.5H2O

M = 557.98

Monoclinic,

a = 18.4312 (4) Å

b = 11.3595 (2) Å

c = 25.1662 (6) Å

β = 111.782 (3)°

V = 4892.8 (2) Å3

Z = 8

Cu Kα radiation

μ = 7.55 mm−1

T = 100 K

0.15 × 0.15 × 0.15 mm

Data collection

Agilent SuperNova Dual diffractometer with an Atlas detector

Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2011 ▶) T min = 0.738, T max = 1.000

8065 measured reflections

4713 independent reflections

4467 reflections with I > 2σ(I)

R int = 0.019

Refinement

R[F 2 > 2σ(F 2)] = 0.029

wR(F 2) = 0.078

S = 1.06

4713 reflections

289 parameters

1 restraint

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.81 e Å−3

Δρmin = −0.63 e Å−3

Data collection: CrysAlis PRO (Agilent, 2011 ▶); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶) and DIAMOND (Brandenburg, 2006 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S160053681201238X/xu5483sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681201238X/xu5483Isup2.hkl

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

[Cd(NO3)(C18H40N4)]NO3·0.5H2O	F(000) = 2328
Mr = 557.98	Dx = 1.515 Mg m−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
Hall symbol: -C 2yc	Cell parameters from 4995 reflections
a = 18.4312 (4) Å	θ = 3.8–74.2°
b = 11.3595 (2) Å	µ = 7.55 mm−1
c = 25.1662 (6) Å	T = 100 K
β = 111.782 (3)°	Block, colourless
V = 4892.8 (2) Å3	0.15 × 0.15 × 0.15 mm
Z = 8

Agilent SuperNova Dual diffractometer with an Atlas detector	4713 independent reflections
Radiation source: SuperNova (Cu) X-ray Source	4467 reflections with I > 2σ(I)
Mirror monochromator	Rint = 0.019
Detector resolution: 10.4041 pixels mm-1	θmax = 72.5°, θmin = 3.8°
ω scan	h = −22→22
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2011)	k = −13→10
Tmin = 0.738, Tmax = 1.000	l = −26→30
8065 measured reflections

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)] = 0.029	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.078	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	w = 1/[σ2(Fo2) + (0.0464P)2 + 5.776P] where P = (Fo2 + 2Fc2)/3
4713 reflections	(Δ/σ)max = 0.003
289 parameters	Δρmax = 0.81 e Å−3
1 restraint	Δρmin = −0.63 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
Cd	0.197738 (9)	0.571407 (14)	0.583635 (7)	0.01711 (7)
O1	0.14876 (11)	0.69017 (17)	0.49587 (8)	0.0267 (4)
O2	0.09653 (11)	0.51918 (19)	0.49425 (8)	0.0303 (4)
O3	0.05888 (12)	0.6264 (2)	0.41718 (8)	0.0349 (5)
O4	0.30600 (16)	0.5939 (2)	0.78128 (12)	0.0541 (7)
O5	0.36324 (14)	0.4804 (2)	0.74149 (9)	0.0411 (5)
O6	0.42998 (16)	0.5642 (3)	0.82134 (12)	0.0625 (9)
O1w	0.5000	0.3546 (3)	0.7500	0.0546 (10)
H1w	0.468 (2)	0.400 (3)	0.757 (2)	0.071 (15)*
N1	0.31753 (12)	0.59274 (19)	0.57539 (9)	0.0180 (4)
H1n	0.3114	0.6462	0.5488	0.022*
N2	0.26080 (13)	0.69852 (18)	0.65796 (9)	0.0204 (4)
H2n	0.2802	0.6540	0.6886	0.024*
N3	0.10838 (12)	0.5348 (2)	0.62575 (9)	0.0201 (4)
H3n	0.0670	0.5039	0.5991	0.024*
N4	0.24524 (12)	0.39622 (19)	0.63040 (9)	0.0185 (4)
H4n	0.2805	0.4164	0.6638	0.022*
N5	0.10019 (11)	0.6129 (2)	0.46812 (9)	0.0201 (4)
N6	0.36913 (15)	0.5470 (2)	0.78257 (10)	0.0305 (5)
C1	0.37042 (15)	0.6450 (2)	0.63004 (11)	0.0224 (5)
H1A	0.4184	0.6743	0.6255	0.027*
H1B	0.3858	0.5841	0.6603	0.027*
C2	0.32955 (15)	0.7467 (2)	0.64762 (11)	0.0240 (5)
H2A	0.3101	0.8032	0.6149	0.029*
C3	0.38695 (18)	0.8119 (3)	0.69901 (13)	0.0349 (7)
H3A	0.3599	0.8767	0.7096	0.052*
H3B	0.4298	0.8434	0.6891	0.052*
H3C	0.4080	0.7574	0.7313	0.052*
C4	0.20833 (16)	0.7847 (2)	0.67095 (12)	0.0250 (5)
H4A	0.2421	0.8293	0.7055	0.030*
C5	0.17717 (18)	0.8748 (3)	0.62320 (13)	0.0304 (6)
H5A	0.2209	0.9107	0.6159	0.046*
H5B	0.1483	0.9359	0.6345	0.046*
H5C	0.1423	0.8358	0.5884	0.046*
C6	0.14814 (16)	0.7182 (2)	0.68874 (12)	0.0258 (6)
H6A	0.1235	0.7779	0.7053	0.031*
H6B	0.1786	0.6658	0.7206	0.031*
C7	0.08049 (16)	0.6424 (2)	0.64788 (12)	0.0247 (5)
C8	0.02921 (17)	0.7092 (3)	0.59449 (13)	0.0312 (6)
H8A	−0.0124	0.6573	0.5703	0.047*
H8B	0.0611	0.7354	0.5731	0.047*
H8C	0.0060	0.7778	0.6058	0.047*
C9	0.02975 (18)	0.6059 (3)	0.68196 (14)	0.0318 (6)
H9A	−0.0140	0.5574	0.6577	0.048*
H9B	0.0095	0.6764	0.6941	0.048*
H9C	0.0615	0.5606	0.7157	0.048*
C10	0.14391 (16)	0.4404 (2)	0.66829 (12)	0.0226 (5)
H10A	0.1034	0.4060	0.6807	0.027*
H10B	0.1851	0.4748	0.7023	0.027*
C11	0.17965 (15)	0.3427 (2)	0.64345 (11)	0.0215 (5)
H11	0.2019	0.2813	0.6736	0.026*
C12	0.11974 (15)	0.2840 (2)	0.59113 (12)	0.0251 (5)
H12A	0.1453	0.2224	0.5771	0.038*
H12B	0.0970	0.3429	0.5611	0.038*
H12C	0.0783	0.2489	0.6016	0.038*
C13	0.28665 (14)	0.3164 (2)	0.60372 (11)	0.0203 (5)
H13	0.2493	0.2937	0.5648	0.024*
C14	0.31561 (16)	0.2039 (2)	0.63891 (12)	0.0263 (6)
H14A	0.2713	0.1628	0.6431	0.039*
H14B	0.3537	0.2245	0.6768	0.039*
H14C	0.3404	0.1524	0.6193	0.039*
C15	0.35667 (14)	0.3792 (2)	0.59731 (11)	0.0223 (5)
H15A	0.3872	0.3186	0.5864	0.027*
H15B	0.3901	0.4077	0.6358	0.027*
C16	0.34558 (14)	0.4833 (2)	0.55567 (11)	0.0211 (5)
C17	0.28420 (16)	0.4545 (2)	0.49697 (11)	0.0243 (5)
H17A	0.2781	0.5218	0.4713	0.037*
H17B	0.2342	0.4378	0.5008	0.037*
H17C	0.3009	0.3854	0.4811	0.037*
C18	0.42393 (15)	0.5078 (3)	0.54909 (13)	0.0272 (6)
H18A	0.4177	0.5737	0.5226	0.041*
H18B	0.4404	0.4375	0.5340	0.041*
H18C	0.4636	0.5277	0.5865	0.041*

	U11	U22	U33	U12	U13	U23
Cd	0.01787 (10)	0.01742 (11)	0.01620 (11)	0.00284 (6)	0.00652 (7)	−0.00031 (6)
O1	0.0250 (9)	0.0259 (10)	0.0247 (10)	0.0008 (8)	0.0042 (8)	0.0014 (8)
O2	0.0318 (10)	0.0334 (11)	0.0253 (10)	−0.0033 (9)	0.0101 (8)	0.0040 (8)
O3	0.0285 (10)	0.0479 (13)	0.0194 (10)	0.0028 (9)	−0.0014 (8)	0.0061 (9)
O4	0.0538 (16)	0.0466 (14)	0.0562 (17)	0.0203 (12)	0.0135 (13)	−0.0026 (13)
O5	0.0483 (13)	0.0455 (14)	0.0239 (11)	−0.0074 (11)	0.0067 (9)	−0.0056 (10)
O6	0.0405 (14)	0.099 (3)	0.0364 (14)	−0.0271 (14)	0.0015 (11)	−0.0104 (14)
O1w	0.063 (2)	0.0305 (18)	0.089 (3)	0.000	0.051 (2)	0.000
N1	0.0179 (10)	0.0188 (10)	0.0172 (10)	0.0034 (8)	0.0064 (8)	0.0007 (8)
N2	0.0268 (11)	0.0164 (10)	0.0186 (10)	0.0009 (9)	0.0092 (8)	−0.0017 (8)
N3	0.0202 (10)	0.0212 (10)	0.0204 (10)	0.0033 (9)	0.0094 (8)	−0.0015 (9)
N4	0.0186 (9)	0.0174 (10)	0.0194 (10)	0.0014 (8)	0.0069 (8)	−0.0012 (8)
N5	0.0128 (9)	0.0288 (12)	0.0185 (10)	0.0050 (9)	0.0055 (8)	0.0030 (9)
N6	0.0420 (14)	0.0243 (12)	0.0213 (12)	−0.0032 (11)	0.0071 (10)	0.0054 (10)
C1	0.0210 (12)	0.0241 (13)	0.0205 (12)	−0.0023 (10)	0.0058 (10)	−0.0018 (10)
C2	0.0281 (13)	0.0222 (13)	0.0225 (12)	−0.0039 (11)	0.0102 (10)	−0.0040 (10)
C3	0.0395 (16)	0.0367 (17)	0.0288 (15)	−0.0147 (13)	0.0129 (13)	−0.0109 (13)
C4	0.0350 (14)	0.0207 (13)	0.0240 (13)	0.0009 (11)	0.0163 (11)	−0.0045 (10)
C5	0.0426 (16)	0.0229 (14)	0.0307 (15)	0.0045 (12)	0.0194 (13)	0.0006 (11)
C6	0.0351 (14)	0.0239 (13)	0.0242 (13)	0.0026 (11)	0.0178 (11)	−0.0036 (11)
C7	0.0283 (13)	0.0236 (13)	0.0270 (13)	0.0059 (11)	0.0160 (11)	−0.0023 (11)
C8	0.0297 (14)	0.0266 (14)	0.0378 (16)	0.0110 (12)	0.0133 (12)	0.0027 (12)
C9	0.0355 (15)	0.0301 (15)	0.0398 (17)	0.0049 (13)	0.0257 (14)	−0.0042 (13)
C10	0.0245 (13)	0.0223 (13)	0.0236 (13)	0.0035 (10)	0.0120 (11)	0.0016 (10)
C11	0.0220 (12)	0.0186 (12)	0.0256 (13)	0.0017 (10)	0.0109 (10)	0.0015 (10)
C12	0.0234 (12)	0.0236 (13)	0.0310 (14)	−0.0008 (10)	0.0132 (11)	−0.0038 (11)
C13	0.0202 (11)	0.0173 (12)	0.0238 (12)	0.0044 (10)	0.0086 (10)	−0.0011 (10)
C14	0.0276 (13)	0.0204 (13)	0.0328 (15)	0.0070 (11)	0.0133 (11)	0.0031 (11)
C15	0.0182 (11)	0.0229 (13)	0.0269 (13)	0.0046 (10)	0.0095 (10)	0.0012 (11)
C16	0.0193 (11)	0.0233 (13)	0.0221 (12)	0.0036 (10)	0.0095 (10)	−0.0008 (10)
C17	0.0262 (13)	0.0264 (13)	0.0214 (13)	0.0030 (11)	0.0101 (11)	−0.0020 (11)
C18	0.0218 (12)	0.0296 (14)	0.0344 (15)	0.0043 (11)	0.0153 (11)	0.0024 (12)

Cd—O1	2.4562 (19)	C5—H5C	0.9800
Cd—O2	2.404 (2)	C6—C7	1.550 (4)
Cd—N1	2.306 (2)	C6—H6A	0.9900
Cd—N2	2.307 (2)	C6—H6B	0.9900
Cd—N3	2.303 (2)	C7—C8	1.527 (4)
Cd—N4	2.312 (2)	C7—C9	1.542 (4)
O1—N5	1.263 (3)	C8—H8A	0.9800
O2—N5	1.266 (3)	C8—H8B	0.9800
O3—N5	1.234 (3)	C8—H8C	0.9800
O4—N6	1.269 (4)	C9—H9A	0.9800
O5—N6	1.253 (3)	C9—H9B	0.9800
O6—N6	1.198 (4)	C9—H9C	0.9800
O1w—H1w	0.850 (10)	C10—C11	1.537 (3)
N1—C1	1.483 (3)	C10—H10A	0.9900
N1—C16	1.500 (3)	C10—H10B	0.9900
N1—H1n	0.8800	C11—C12	1.523 (4)
N2—C2	1.489 (3)	C11—H11	1.0000
N2—C4	1.495 (3)	C12—H12A	0.9800
N2—H2n	0.8800	C12—H12B	0.9800
N3—C10	1.485 (3)	C12—H12C	0.9800
N3—C7	1.511 (3)	C13—C14	1.534 (3)
N3—H3n	0.8800	C13—C15	1.535 (3)
N4—C11	1.494 (3)	C13—H13	1.0000
N4—C13	1.496 (3)	C14—H14A	0.9800
N4—H4n	0.8800	C14—H14B	0.9800
C1—C2	1.531 (4)	C14—H14C	0.9800
C1—H1A	0.9900	C15—C16	1.542 (4)
C1—H1B	0.9900	C15—H15A	0.9900
C2—C3	1.525 (4)	C15—H15B	0.9900
C2—H2A	1.0000	C16—C17	1.526 (4)
C3—H3A	0.9800	C16—C18	1.539 (3)
C3—H3B	0.9800	C17—H17A	0.9800
C3—H3C	0.9800	C17—H17B	0.9800
C4—C5	1.519 (4)	C17—H17C	0.9800
C4—C6	1.540 (4)	C18—H18A	0.9800
C4—H4A	1.0000	C18—H18B	0.9800
C5—H5A	0.9800	C18—H18C	0.9800
C5—H5B	0.9800
N3—Cd—N1	158.83 (8)	C4—C6—H6A	106.2
N3—Cd—N2	88.35 (8)	C7—C6—H6A	106.2
N1—Cd—N2	78.23 (7)	C4—C6—H6B	106.2
N3—Cd—N4	79.08 (7)	C7—C6—H6B	106.2
N1—Cd—N4	86.67 (7)	H6A—C6—H6B	106.4
N2—Cd—N4	98.30 (7)	N3—C7—C8	105.2 (2)
N3—Cd—O2	86.96 (7)	N3—C7—C9	110.3 (2)
N1—Cd—O2	112.22 (7)	C8—C7—C9	108.6 (2)
N2—Cd—O2	153.62 (7)	N3—C7—C6	113.2 (2)
N4—Cd—O2	106.24 (7)	C8—C7—C6	113.0 (2)
N3—Cd—O1	115.22 (7)	C9—C7—C6	106.6 (2)
N1—Cd—O1	84.61 (7)	C7—C8—H8A	109.5
N2—Cd—O1	106.96 (7)	C7—C8—H8B	109.5
N4—Cd—O1	150.90 (7)	H8A—C8—H8B	109.5
O2—Cd—O1	52.80 (7)	C7—C8—H8C	109.5
N5—O1—Cd	93.68 (14)	H8A—C8—H8C	109.5
N5—O2—Cd	96.09 (15)	H8B—C8—H8C	109.5
C1—N1—C16	116.76 (19)	C7—C9—H9A	109.5
C1—N1—Cd	106.29 (15)	C7—C9—H9B	109.5
C16—N1—Cd	113.69 (15)	H9A—C9—H9B	109.5
C1—N1—H1n	106.5	C7—C9—H9C	109.5
C16—N1—H1n	106.5	H9A—C9—H9C	109.5
Cd—N1—H1n	106.5	H9B—C9—H9C	109.5
C2—N2—C4	117.3 (2)	N3—C10—C11	111.7 (2)
C2—N2—Cd	107.09 (15)	N3—C10—H10A	109.3
C4—N2—Cd	114.53 (16)	C11—C10—H10A	109.3
C2—N2—H2n	105.6	N3—C10—H10B	109.3
C4—N2—H2n	105.6	C11—C10—H10B	109.3
Cd—N2—H2n	105.6	H10A—C10—H10B	107.9
C10—N3—C7	116.0 (2)	N4—C11—C12	112.0 (2)
C10—N3—Cd	105.24 (15)	N4—C11—C10	107.4 (2)
C7—N3—Cd	115.00 (16)	C12—C11—C10	112.6 (2)
C10—N3—H3n	106.7	N4—C11—H11	108.2
C7—N3—H3n	106.7	C12—C11—H11	108.2
Cd—N3—H3n	106.7	C10—C11—H11	108.2
C11—N4—C13	116.2 (2)	C11—C12—H12A	109.5
C11—N4—Cd	106.12 (14)	C11—C12—H12B	109.5
C13—N4—Cd	116.95 (15)	H12A—C12—H12B	109.5
C11—N4—H4n	105.5	C11—C12—H12C	109.5
C13—N4—H4n	105.5	H12A—C12—H12C	109.5
Cd—N4—H4n	105.5	H12B—C12—H12C	109.5
O3—N5—O1	121.7 (2)	N4—C13—C14	111.9 (2)
O3—N5—O2	120.8 (2)	N4—C13—C15	110.8 (2)
O1—N5—O2	117.4 (2)	C14—C13—C15	108.8 (2)
O6—N6—O5	122.6 (3)	N4—C13—H13	108.4
O6—N6—O4	121.7 (3)	C14—C13—H13	108.4
O5—N6—O4	115.8 (3)	C15—C13—H13	108.4
N1—C1—C2	110.2 (2)	C13—C14—H14A	109.5
N1—C1—H1A	109.6	C13—C14—H14B	109.5
C2—C1—H1A	109.6	H14A—C14—H14B	109.5
N1—C1—H1B	109.6	C13—C14—H14C	109.5
C2—C1—H1B	109.6	H14A—C14—H14C	109.5
H1A—C1—H1B	108.1	H14B—C14—H14C	109.5
N2—C2—C3	113.4 (2)	C13—C15—C16	121.5 (2)
N2—C2—C1	108.3 (2)	C13—C15—H15A	106.9
C3—C2—C1	110.5 (2)	C16—C15—H15A	106.9
N2—C2—H2A	108.1	C13—C15—H15B	106.9
C3—C2—H2A	108.1	C16—C15—H15B	106.9
C1—C2—H2A	108.1	H15A—C15—H15B	106.7
C2—C3—H3A	109.5	N1—C16—C17	106.0 (2)
C2—C3—H3B	109.5	N1—C16—C18	109.8 (2)
H3A—C3—H3B	109.5	C17—C16—C18	108.8 (2)
C2—C3—H3C	109.5	N1—C16—C15	112.7 (2)
H3A—C3—H3C	109.5	C17—C16—C15	110.9 (2)
H3B—C3—H3C	109.5	C18—C16—C15	108.6 (2)
N2—C4—C5	110.7 (2)	C16—C17—H17A	109.5
N2—C4—C6	109.7 (2)	C16—C17—H17B	109.5
C5—C4—C6	117.3 (2)	H17A—C17—H17B	109.5
N2—C4—H4A	106.2	C16—C17—H17C	109.5
C5—C4—H4A	106.2	H17A—C17—H17C	109.5
C6—C4—H4A	106.2	H17B—C17—H17C	109.5
C4—C5—H5A	109.5	C16—C18—H18A	109.5
C4—C5—H5B	109.5	C16—C18—H18B	109.5
H5A—C5—H5B	109.5	H18A—C18—H18B	109.5
C4—C5—H5C	109.5	C16—C18—H18C	109.5
H5A—C5—H5C	109.5	H18A—C18—H18C	109.5
H5B—C5—H5C	109.5	H18B—C18—H18C	109.5
C4—C6—C7	124.7 (2)
N3—Cd—O1—N5	−65.15 (15)	Cd—O1—N5—O3	−177.3 (2)
N1—Cd—O1—N5	122.59 (14)	Cd—O1—N5—O2	1.2 (2)
N2—Cd—O1—N5	−161.48 (13)	Cd—O2—N5—O3	177.29 (19)
N4—Cd—O1—N5	49.4 (2)	Cd—O2—N5—O1	−1.2 (2)
O2—Cd—O1—N5	−0.68 (12)	C16—N1—C1—C2	−173.3 (2)
N3—Cd—O2—N5	125.85 (15)	Cd—N1—C1—C2	−45.3 (2)
N1—Cd—O2—N5	−63.37 (16)	C4—N2—C2—C3	61.9 (3)
N2—Cd—O2—N5	45.8 (2)	Cd—N2—C2—C3	−167.8 (2)
N4—Cd—O2—N5	−156.45 (14)	C4—N2—C2—C1	−175.0 (2)
O1—Cd—O2—N5	0.68 (12)	Cd—N2—C2—C1	−44.7 (2)
N3—Cd—N1—C1	−36.2 (3)	N1—C1—C2—N2	63.1 (3)
N2—Cd—N1—C1	15.51 (15)	N1—C1—C2—C3	−172.0 (2)
N4—Cd—N1—C1	−83.68 (16)	C2—N2—C4—C5	57.1 (3)
O2—Cd—N1—C1	170.12 (15)	Cd—N2—C4—C5	−69.7 (2)
O1—Cd—N1—C1	124.11 (16)	C2—N2—C4—C6	−171.9 (2)
N3—Cd—N1—C16	93.6 (2)	Cd—N2—C4—C6	61.3 (2)
N2—Cd—N1—C16	145.33 (17)	N2—C4—C6—C7	−69.3 (3)
N4—Cd—N1—C16	46.13 (16)	C5—C4—C6—C7	58.0 (4)
O2—Cd—N1—C16	−60.06 (17)	C10—N3—C7—C8	−166.0 (2)
O1—Cd—N1—C16	−106.07 (16)	Cd—N3—C7—C8	70.6 (2)
N3—Cd—N2—C2	179.50 (17)	C10—N3—C7—C9	−49.2 (3)
N1—Cd—N2—C2	15.96 (16)	Cd—N3—C7—C9	−172.55 (18)
N4—Cd—N2—C2	100.78 (16)	C10—N3—C7—C6	70.1 (3)
O2—Cd—N2—C2	−100.7 (2)	Cd—N3—C7—C6	−53.3 (3)
O1—Cd—N2—C2	−64.60 (17)	C4—C6—C7—N3	65.4 (3)
N3—Cd—N2—C4	−48.61 (17)	C4—C6—C7—C8	−54.0 (3)
N1—Cd—N2—C4	147.85 (18)	C4—C6—C7—C9	−173.2 (2)
N4—Cd—N2—C4	−127.33 (17)	C7—N3—C10—C11	−172.6 (2)
O2—Cd—N2—C4	31.1 (3)	Cd—N3—C10—C11	−44.3 (2)
O1—Cd—N2—C4	67.29 (17)	C13—N4—C11—C12	−53.8 (3)
N1—Cd—N3—C10	−35.0 (3)	Cd—N4—C11—C12	78.1 (2)
N2—Cd—N3—C10	−85.27 (16)	C13—N4—C11—C10	−178.0 (2)
N4—Cd—N3—C10	13.51 (16)	Cd—N4—C11—C10	−46.1 (2)
O2—Cd—N3—C10	120.70 (16)	N3—C10—C11—N4	64.2 (3)
O1—Cd—N3—C10	166.73 (15)	N3—C10—C11—C12	−59.6 (3)
N1—Cd—N3—C7	93.9 (3)	C11—N4—C13—C14	−53.7 (3)
N2—Cd—N3—C7	43.65 (17)	Cd—N4—C13—C14	179.69 (16)
N4—Cd—N3—C7	142.43 (18)	C11—N4—C13—C15	−175.2 (2)
O2—Cd—N3—C7	−110.38 (17)	Cd—N4—C13—C15	58.1 (2)
O1—Cd—N3—C7	−64.35 (18)	N4—C13—C15—C16	−67.4 (3)
N3—Cd—N4—C11	18.04 (15)	C14—C13—C15—C16	169.3 (2)
N1—Cd—N4—C11	−177.69 (16)	C1—N1—C16—C17	−175.4 (2)
N2—Cd—N4—C11	104.73 (16)	Cd—N1—C16—C17	60.3 (2)
O2—Cd—N4—C11	−65.50 (16)	C1—N1—C16—C18	−58.0 (3)
O1—Cd—N4—C11	−105.02 (18)	Cd—N1—C16—C18	177.63 (16)
N3—Cd—N4—C13	149.51 (18)	C1—N1—C16—C15	63.1 (3)
N1—Cd—N4—C13	−46.22 (17)	Cd—N1—C16—C15	−61.2 (2)
N2—Cd—N4—C13	−123.81 (17)	C13—C15—C16—N1	70.9 (3)
O2—Cd—N4—C13	65.97 (18)	C13—C15—C16—C17	−47.8 (3)
O1—Cd—N4—C13	26.4 (3)	C13—C15—C16—C18	−167.3 (2)

D—H···A	D—H	H···A	D···A	D—H···A
O1w—H1w···O5	0.85 (1)	2.04 (2)	2.836 (3)	156 (5)
N1—H1n···O1i	0.88	2.42	3.242 (3)	155
N2—H2n···O4	0.88	2.30	3.133 (4)	157
N4—H4n···O5	0.88	2.11	2.991 (3)	175
C5—H5B···O6ii	0.98	2.58	3.539 (5)	168
C11—H11···O4iii	1.00	2.44	3.358 (3)	152
C9—H9B···O1wiv	0.98	2.51	3.451 (4)	162

Table 1

Selected bond lengths (Å)

Cd—O1	2.4562 (19)
Cd—O2	2.404 (2)
Cd—N1	2.306 (2)
Cd—N2	2.307 (2)
Cd—N3	2.303 (2)
Cd—N4	2.312 (2)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1w—H1w⋯O5	0.85 (1)	2.04 (2)	2.836 (3)	156 (5)
N1—H1n⋯O1i	0.88	2.42	3.242 (3)	155
N2—H2n⋯O4	0.88	2.30	3.133 (4)	157
N4—H4n⋯O5	0.88	2.11	2.991 (3)	175
C5—H5B⋯O6ii	0.98	2.58	3.539 (5)	168
C11—H11⋯O4iii	1.00	2.44	3.358 (3)	152
C9—H9B⋯O1wiv	0.98	2.51	3.451 (4)	162

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .