Poly[[[(pyrazino[2,3-f][1,10]phenanthroline-κ²N,N′)cadmium(II)]-μ₃-pyridine-2,5-dicarboxyl­ato-κ³O,O′:N,O:O′′:O′′] monohydrate]

In the title compound, {[Cd(C₇H₃NO₄)(C₁₄H₈N₄)]·H₂O}_n, the Cd^II atom is seven-coordinated by three N atoms from one pyrazino[2,3-f][1,10]phenanthroline mol­ecule and one pyridine-2,5-dicarboxyl­ate (2,5-pdc) ligand, and four O atoms from three different 2,5-pdc anions in a distorted monocapped octa­hedral coordination geometry. The Cd^II atoms are bridged by the 2,5-pdc ligands, forming a layer.

Key indicators

• Single-crystal X-ray study
• T = 292 K
• Mean [sigma](C-C) = 0.004 Å
• R factor = 0.023
• wR factor = 0.068
• Data-to-parameter ratio = 15.1

checkCIF/PLATON results

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Alert level C
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
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   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
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   1 ALERT type 4 Improvement, methodology, query or suggestion
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Computing details

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO; data reduction: PROCESS-AUTO; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-Plus (Sheldrick, 1990); software used to prepare material for publication: SHELXL97.

Poly[[[(pyrazino[2,3-f][1,10]phenanthroline-κ²N,N')cadmium(II)]- µ₃-pyridine-2,5-dicarboxylato-κ³O,O':N,O:O'':O''] monohydrate]

Crystal data

[Cd(C7H3NO4)(C14H8N4)]·H2O	F(000) = 1048
Mr = 527.76	Dx = 1.792 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 15845 reflections
a = 10.754 (2) Å	θ = 3.0–27.5°
b = 10.631 (2) Å	µ = 1.16 mm^−1
c = 17.127 (3) Å	T = 292 K
β = 92.64 (3)°	Block, colorless
V = 1956.0 (6) Å^3	0.30 × 0.27 × 0.23 mm
Z = 4

Data collection

Rigaku R-AXIS RAPID diffractometer	4451 independent reflections
Radiation source: rotorating anode	3937 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.026
Detector resolution: 10.0 pixels mm^-1	θmax = 27.5°, θmin = 3.1°
ω scans	h = −13→13
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −13→13
Tmin = 0.670, Tmax = 0.763	l = −22→22
18518 measured reflections

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)] = 0.023	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.068	H atoms treated by a mixture of independent and constrained refinement
S = 1.12	w = 1/[σ^2(Fo^2) + (0.0334P)^2 + 1.031P] where P = (Fo^2 + 2Fc^2)/3
4451 reflections	(Δ/σ)max = 0.001
295 parameters	Δρmax = 0.50 e Å^−3
4 restraints	Δρmin = −0.46 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
C1	0.2914 (2)	0.5276 (2)	0.42112 (14)	0.0345 (5)
C2	0.3012 (2)	0.6218 (2)	0.35508 (13)	0.0309 (5)
C3	0.2017 (2)	0.6489 (3)	0.30362 (15)	0.0414 (6)
H3	0.1256	0.6087	0.3084	0.050*
C4	0.2168 (2)	0.7365 (3)	0.24508 (14)	0.0411 (6)
H4	0.1512	0.7555	0.2098	0.049*
C5	0.3308 (2)	0.7957 (2)	0.23974 (13)	0.0320 (5)
C6	0.4253 (2)	0.7629 (2)	0.29347 (13)	0.0323 (5)
H6	0.5022	0.8022	0.2902	0.039*
C7	0.3541 (3)	0.8960 (3)	0.18007 (15)	0.0423 (6)
C8	0.7856 (2)	0.7010 (3)	0.29796 (14)	0.0405 (6)
H8	0.7643	0.6280	0.2706	0.049*
C9	0.8759 (3)	0.7793 (3)	0.26906 (15)	0.0459 (6)
H9	0.9138	0.7586	0.2231	0.055*
C10	0.9086 (3)	0.8865 (3)	0.30826 (16)	0.0444 (6)
H10	0.9697	0.9392	0.2896	0.053*
C11	0.8494 (2)	0.9168 (2)	0.37710 (15)	0.0345 (5)
C12	0.7584 (2)	0.8331 (2)	0.40217 (13)	0.0302 (5)
C13	0.6922 (2)	0.8613 (2)	0.47268 (13)	0.0315 (5)
C14	0.5440 (3)	0.8029 (3)	0.55828 (17)	0.0533 (7)
H14	0.4831	0.7467	0.5730	0.064*
C15	0.5671 (4)	0.9091 (3)	0.6039 (2)	0.0640 (10)
H15	0.5232	0.9229	0.6487	0.077*
C16	0.6543 (3)	0.9922 (3)	0.58231 (18)	0.0566 (8)
H16	0.6707	1.0638	0.6123	0.068*
C17	0.7198 (2)	0.9707 (2)	0.51491 (15)	0.0396 (5)
C18	0.8152 (3)	1.0561 (2)	0.48922 (16)	0.0417 (6)
C19	0.8796 (2)	1.0287 (2)	0.42266 (15)	0.0387 (5)
C20	0.9977 (3)	1.2032 (3)	0.44342 (19)	0.0538 (8)
H20	1.0624	1.2561	0.4303	0.065*
C21	0.9305 (3)	1.2320 (3)	0.5084 (2)	0.0618 (9)
H21	0.9504	1.3051	0.5361	0.074*
N1	0.72834 (17)	0.72638 (19)	0.36341 (11)	0.0314 (4)
N2	0.60550 (19)	0.7782 (2)	0.49425 (11)	0.0359 (4)
N3	0.8395 (3)	1.1603 (2)	0.53250 (16)	0.0566 (6)
N4	0.9732 (2)	1.1034 (2)	0.39963 (15)	0.0484 (6)
N5	0.41189 (17)	0.67804 (18)	0.34940 (11)	0.0299 (4)
O1	0.39066 (15)	0.50981 (18)	0.46157 (10)	0.0384 (4)
O2	0.19162 (18)	0.4762 (2)	0.43227 (13)	0.0607 (6)
O1W	−0.0413 (2)	0.4789 (3)	0.35398 (18)	0.0851 (9)
HW12	0.0196 (19)	0.495 (4)	0.3864 (18)	0.102*
HW11	−0.1136 (19)	0.461 (5)	0.372 (2)	0.102*
O3	0.4435 (2)	0.9674 (3)	0.19453 (16)	0.0789 (8)
O4	0.2860 (2)	0.9055 (2)	0.12061 (13)	0.0624 (6)
Cd1	0.583532 (14)	0.588073 (14)	0.421500 (8)	0.02600 (6)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0333 (11)	0.0364 (13)	0.0334 (11)	−0.0025 (10)	−0.0010 (9)	0.0076 (10)
C2	0.0330 (11)	0.0299 (11)	0.0298 (11)	0.0004 (9)	0.0002 (9)	0.0039 (9)
C3	0.0353 (12)	0.0457 (15)	0.0424 (13)	−0.0075 (11)	−0.0069 (10)	0.0105 (12)
C4	0.0384 (12)	0.0491 (15)	0.0349 (12)	0.0014 (11)	−0.0078 (10)	0.0100 (11)
C5	0.0381 (12)	0.0300 (12)	0.0281 (10)	0.0055 (9)	0.0041 (9)	0.0039 (9)
C6	0.0311 (11)	0.0297 (11)	0.0363 (12)	0.0010 (9)	0.0036 (9)	0.0053 (9)
C7	0.0507 (15)	0.0402 (14)	0.0375 (13)	0.0194 (12)	0.0170 (12)	0.0137 (11)
C8	0.0459 (14)	0.0411 (14)	0.0351 (12)	−0.0040 (11)	0.0081 (11)	−0.0080 (11)
C9	0.0489 (15)	0.0542 (17)	0.0361 (13)	−0.0041 (13)	0.0168 (12)	−0.0018 (12)
C10	0.0427 (14)	0.0485 (16)	0.0429 (14)	−0.0082 (12)	0.0102 (12)	0.0053 (12)
C11	0.0364 (12)	0.0323 (12)	0.0345 (12)	−0.0034 (10)	−0.0007 (10)	0.0042 (9)
C12	0.0308 (10)	0.0290 (11)	0.0307 (11)	0.0008 (9)	−0.0005 (9)	0.0015 (9)
C13	0.0358 (11)	0.0289 (11)	0.0297 (11)	0.0007 (9)	0.0012 (9)	0.0016 (9)
C14	0.0693 (19)	0.0473 (17)	0.0455 (15)	−0.0079 (15)	0.0248 (14)	−0.0040 (13)
C15	0.084 (2)	0.059 (2)	0.0511 (18)	−0.0024 (17)	0.0287 (18)	−0.0165 (15)
C16	0.077 (2)	0.0454 (17)	0.0489 (16)	−0.0042 (15)	0.0143 (15)	−0.0187 (14)
C17	0.0475 (14)	0.0328 (13)	0.0384 (13)	0.0003 (11)	0.0015 (11)	−0.0056 (10)
C18	0.0486 (14)	0.0285 (12)	0.0473 (14)	−0.0023 (11)	−0.0057 (12)	−0.0029 (11)
C19	0.0404 (13)	0.0309 (13)	0.0439 (13)	−0.0045 (10)	−0.0060 (11)	0.0062 (11)
C20	0.0566 (17)	0.0343 (14)	0.069 (2)	−0.0146 (13)	−0.0138 (15)	0.0116 (14)
C21	0.075 (2)	0.0300 (14)	0.079 (2)	−0.0132 (14)	−0.0140 (18)	−0.0067 (15)
N1	0.0334 (9)	0.0311 (10)	0.0299 (9)	−0.0018 (8)	0.0033 (8)	−0.0019 (8)
N2	0.0441 (11)	0.0331 (11)	0.0311 (10)	−0.0034 (9)	0.0087 (9)	−0.0018 (8)
N3	0.0702 (16)	0.0339 (13)	0.0648 (16)	−0.0069 (12)	−0.0045 (13)	−0.0128 (12)
N4	0.0484 (13)	0.0387 (13)	0.0572 (15)	−0.0126 (10)	−0.0068 (11)	0.0099 (11)
N5	0.0304 (9)	0.0283 (10)	0.0307 (9)	0.0004 (8)	−0.0004 (7)	0.0041 (8)
O1	0.0336 (8)	0.0499 (11)	0.0314 (8)	−0.0030 (8)	−0.0027 (7)	0.0144 (8)
O2	0.0410 (10)	0.0692 (15)	0.0707 (14)	−0.0203 (10)	−0.0095 (10)	0.0346 (12)
O1W	0.0470 (13)	0.110 (2)	0.098 (2)	−0.0109 (15)	−0.0061 (13)	0.0354 (19)
O3	0.0728 (16)	0.0746 (18)	0.0884 (18)	−0.0220 (14)	−0.0052 (14)	0.0486 (15)
O4	0.0713 (14)	0.0744 (17)	0.0414 (11)	0.0151 (12)	0.0016 (10)	0.0254 (10)
Cd1	0.02934 (9)	0.02568 (9)	0.02293 (9)	−0.00146 (6)	0.00089 (6)	0.00130 (6)

Geometric parameters (Å, º)

Cd1—O1^i	2.2625 (16)	C10—C11	1.403 (4)
Cd1—O1	2.3658 (17)	C10—H10	0.9300
Cd1—O3^ii	2.372 (2)	C11—C12	1.404 (3)
Cd1—O4^ii	2.520 (2)	C11—C19	1.452 (4)
Cd1—N1	2.3916 (19)	C12—N1	1.346 (3)
Cd1—N2	2.380 (2)	C12—C13	1.460 (3)
Cd1—N5	2.3742 (19)	C13—N2	1.349 (3)
C1—O2	1.227 (3)	C13—C17	1.395 (3)
C1—O1	1.259 (3)	C14—N2	1.333 (3)
C1—C2	1.518 (3)	C14—C15	1.390 (4)
C2—N5	1.339 (3)	C14—H14	0.9300
C2—C3	1.385 (3)	C15—C16	1.352 (5)
C3—C4	1.384 (3)	C15—H15	0.9300
C3—H3	0.9300	C16—C17	1.399 (4)
C4—C5	1.384 (3)	C16—H16	0.9300
C4—H4	0.9300	C17—C18	1.453 (4)
C5—C6	1.385 (3)	C18—N3	1.351 (4)
C5—C7	1.506 (3)	C18—C19	1.392 (4)
C6—N5	1.328 (3)	C19—N4	1.356 (3)
C6—H6	0.9300	C20—N4	1.318 (4)
C7—O4	1.230 (4)	C20—C21	1.389 (5)
C7—O3	1.241 (4)	C20—H20	0.9300
C8—N1	1.331 (3)	C21—N3	1.322 (4)
C8—C9	1.387 (4)	C21—H21	0.9300
C8—H8	0.9300	O1W—HW12	0.86 (3)
C9—C10	1.361 (4)	O1W—HW11	0.874 (10)
C9—H9	0.9300
O1^i—Cd1—O1	69.81 (7)	C12—C11—C10	117.5 (2)
O1^i—Cd1—O3^ii	119.88 (10)	C12—C11—C19	119.8 (2)
O1—Cd1—O3^ii	88.73 (9)	C10—C11—C19	122.7 (2)
O1^i—Cd1—O4^ii	81.48 (7)	N1—C12—C11	122.5 (2)
O1—Cd1—O4^ii	108.62 (7)	N1—C12—C13	117.7 (2)
O3^ii—Cd1—O4^ii	52.55 (8)	C11—C12—C13	119.7 (2)
O1^i—Cd1—N1	126.53 (7)	N2—C13—C17	122.5 (2)
O1—Cd1—N1	158.96 (7)	N2—C13—C12	117.5 (2)
O1^i—Cd1—N2	85.52 (7)	C17—C13—C12	120.0 (2)
O1—Cd1—N2	102.35 (7)	N2—C14—C15	122.7 (3)
O1^i—Cd1—N5	134.94 (6)	N2—C14—H14	118.6
O1—Cd1—N5	67.76 (6)	C15—C14—H14	118.6
O3^ii—Cd1—N1	92.34 (9)	C16—C15—C14	119.0 (3)
O3^ii—Cd1—N2	154.57 (9)	C16—C15—H15	120.5
O3^ii—Cd1—N5	73.73 (8)	C14—C15—H15	120.5
N1—Cd1—O4^ii	88.44 (7)	C15—C16—C17	120.1 (3)
N2—Cd1—O4^ii	139.53 (7)	C15—C16—H16	120.0
N2—Cd1—N1	69.21 (7)	C17—C16—H16	120.0
N5—Cd1—N2	89.21 (7)	C13—C17—C16	117.5 (2)
N5—Cd1—N1	92.38 (7)	C13—C17—C18	120.0 (2)
N5—Cd1—O4^ii	126.24 (7)	C16—C17—C18	122.5 (3)
O2—C1—O1	124.9 (2)	N3—C18—C19	122.0 (3)
O2—C1—C2	120.1 (2)	N3—C18—C17	117.9 (3)
O1—C1—C2	115.0 (2)	C19—C18—C17	120.1 (2)
N5—C2—C3	121.6 (2)	N4—C19—C18	121.3 (3)
N5—C2—C1	116.2 (2)	N4—C19—C11	118.4 (2)
C3—C2—C1	122.2 (2)	C18—C19—C11	120.3 (2)
C4—C3—C2	119.2 (2)	N4—C20—C21	122.4 (3)
C4—C3—H3	120.4	N4—C20—H20	118.8
C2—C3—H3	120.4	C21—C20—H20	118.8
C3—C4—C5	119.2 (2)	N3—C21—C20	122.9 (3)
C3—C4—H4	120.4	N3—C21—H21	118.6
C5—C4—H4	120.4	C20—C21—H21	118.6
C4—C5—C6	117.8 (2)	C8—N1—C12	118.4 (2)
C4—C5—C7	122.8 (2)	C8—N1—Cd1	124.14 (17)
C6—C5—C7	119.3 (2)	C12—N1—Cd1	117.32 (14)
N5—C6—C5	123.3 (2)	C14—N2—C13	118.2 (2)
N5—C6—H6	118.3	C14—N2—Cd1	123.84 (18)
C5—C6—H6	118.3	C13—N2—Cd1	117.77 (15)
O4—C7—O3	122.7 (3)	C21—N3—C18	115.4 (3)
O4—C7—C5	120.6 (3)	C20—N4—C19	115.9 (3)
O3—C7—C5	116.7 (3)	C6—N5—C2	118.8 (2)
N1—C8—C9	122.5 (2)	C6—N5—Cd1	122.73 (15)
N1—C8—H8	118.7	C2—N5—Cd1	117.03 (15)
C9—C8—H8	118.7	C1—O1—Cd1^i	128.48 (15)
C10—C9—C8	119.7 (2)	C1—O1—Cd1	121.30 (14)
C10—C9—H9	120.1	Cd1^i—O1—Cd1	110.19 (7)
C8—C9—H9	120.1	HW12—O1W—HW11	119 (3)
C9—C10—C11	119.3 (2)	C7—O3—Cd1^iii	95.74 (19)
C9—C10—H10	120.4	C7—O4—Cd1^iii	88.98 (19)
C11—C10—H10	120.4
O2—C1—C2—N5	176.8 (3)	C18—C19—N4—C20	−0.8 (4)
O1—C1—C2—N5	−2.4 (3)	C11—C19—N4—C20	−179.4 (2)
O2—C1—C2—C3	−2.9 (4)	C5—C6—N5—C2	−0.7 (4)
O1—C1—C2—C3	177.8 (2)	C5—C6—N5—Cd1	165.33 (18)
N5—C2—C3—C4	−0.2 (4)	C3—C2—N5—C6	0.8 (4)
C1—C2—C3—C4	179.5 (2)	C1—C2—N5—C6	−178.9 (2)
C2—C3—C4—C5	−0.5 (4)	C3—C2—N5—Cd1	−166.0 (2)
C3—C4—C5—C6	0.6 (4)	C1—C2—N5—Cd1	14.3 (3)
C3—C4—C5—C7	−177.4 (2)	O2—C1—O1—Cd1^i	−12.7 (4)
C4—C5—C6—N5	0.0 (4)	C2—C1—O1—Cd1^i	166.54 (16)
C7—C5—C6—N5	178.1 (2)	O2—C1—O1—Cd1	169.6 (2)
C4—C5—C7—O4	−20.4 (4)	C2—C1—O1—Cd1	−11.1 (3)
C6—C5—C7—O4	161.6 (2)	O4—C7—O3—Cd1^iii	−0.8 (3)
C4—C5—C7—O3	159.1 (3)	C5—C7—O3—Cd1^iii	179.76 (18)
C6—C5—C7—O3	−18.9 (4)	O3—C7—O4—Cd1^iii	0.7 (3)
N1—C8—C9—C10	0.1 (5)	C5—C7—O4—Cd1^iii	−179.8 (2)
C8—C9—C10—C11	−0.7 (4)	C1—O1—Cd1—O1^i	178.1 (2)
C9—C10—C11—C12	0.2 (4)	Cd1^i—O1—Cd1—O1^i	0.0
C9—C10—C11—C19	179.5 (3)	C1—O1—Cd1—O3^ii	−59.3 (2)
C10—C11—C12—N1	0.9 (4)	Cd1^i—O1—Cd1—O3^ii	122.63 (11)
C19—C11—C12—N1	−178.4 (2)	C1—O1—Cd1—N5	13.60 (19)
C10—C11—C12—C13	−178.9 (2)	Cd1^i—O1—Cd1—N5	−164.45 (10)
C19—C11—C12—C13	1.8 (3)	C1—O1—Cd1—N2	97.6 (2)
N1—C12—C13—N2	0.1 (3)	Cd1^i—O1—Cd1—N2	−80.47 (9)
C11—C12—C13—N2	179.8 (2)	C1—O1—Cd1—N1	33.9 (3)
N1—C12—C13—C17	−179.9 (2)	Cd1^i—O1—Cd1—N1	−144.18 (14)
C11—C12—C13—C17	−0.1 (3)	C1—O1—Cd1—O4^ii	−108.8 (2)
N2—C14—C15—C16	0.9 (6)	Cd1^i—O1—Cd1—O4^ii	73.12 (9)
C14—C15—C16—C17	0.0 (6)	C6—N5—Cd1—O1^i	158.92 (17)
N2—C13—C17—C16	0.6 (4)	C2—N5—Cd1—O1^i	−34.8 (2)
C12—C13—C17—C16	−179.5 (3)	C6—N5—Cd1—O1	179.7 (2)
N2—C13—C17—C18	179.4 (2)	C2—N5—Cd1—O1	−14.02 (16)
C12—C13—C17—C18	−0.6 (4)	C6—N5—Cd1—O3^ii	−84.8 (2)
C15—C16—C17—C13	−0.7 (5)	C2—N5—Cd1—O3^ii	81.39 (18)
C15—C16—C17—C18	−179.5 (3)	C6—N5—Cd1—N2	76.04 (19)
C13—C17—C18—N3	−179.3 (3)	C2—N5—Cd1—N2	−117.72 (17)
C16—C17—C18—N3	−0.5 (4)	C6—N5—Cd1—N1	6.89 (19)
C13—C17—C18—C19	−0.3 (4)	C2—N5—Cd1—N1	173.13 (17)
C16—C17—C18—C19	178.5 (3)	C6—N5—Cd1—O4^ii	−82.9 (2)
N3—C18—C19—N4	2.4 (4)	C2—N5—Cd1—O4^ii	83.33 (18)
C17—C18—C19—N4	−176.6 (2)	C14—N2—Cd1—O1^i	−48.5 (2)
N3—C18—C19—C11	−179.1 (3)	C13—N2—Cd1—O1^i	126.27 (18)
C17—C18—C19—C11	1.9 (4)	C14—N2—Cd1—O1	19.7 (2)
C12—C11—C19—N4	175.9 (2)	C13—N2—Cd1—O1	−165.54 (17)
C10—C11—C19—N4	−3.4 (4)	C14—N2—Cd1—O3^ii	133.8 (3)
C12—C11—C19—C18	−2.7 (4)	C13—N2—Cd1—O3^ii	−51.5 (3)
C10—C11—C19—C18	178.0 (3)	C14—N2—Cd1—N5	86.7 (2)
N4—C20—C21—N3	1.9 (5)	C13—N2—Cd1—N5	−98.52 (18)
C9—C8—N1—C12	0.9 (4)	C14—N2—Cd1—N1	179.6 (3)
C9—C8—N1—Cd1	−175.1 (2)	C13—N2—Cd1—N1	−5.68 (16)
C11—C12—N1—C8	−1.4 (4)	C14—N2—Cd1—O4^ii	−119.8 (2)
C13—C12—N1—C8	178.4 (2)	C13—N2—Cd1—O4^ii	55.0 (2)
C11—C12—N1—Cd1	174.92 (17)	C8—N1—Cd1—O1^i	114.5 (2)
C13—C12—N1—Cd1	−5.3 (3)	C12—N1—Cd1—O1^i	−61.66 (19)
C15—C14—N2—C13	−1.0 (5)	C8—N1—Cd1—O1	−108.7 (2)
C15—C14—N2—Cd1	173.7 (3)	C12—N1—Cd1—O1	75.2 (2)
C17—C13—N2—C14	0.3 (4)	C8—N1—Cd1—O3^ii	−16.1 (2)
C12—C13—N2—C14	−179.7 (2)	C12—N1—Cd1—O3^ii	167.74 (18)
C17—C13—N2—Cd1	−174.76 (19)	C8—N1—Cd1—N5	−89.9 (2)
C12—C13—N2—Cd1	5.3 (3)	C12—N1—Cd1—N5	93.94 (17)
C20—C21—N3—C18	−0.4 (5)	C8—N1—Cd1—N2	−178.2 (2)
C19—C18—N3—C21	−1.7 (4)	C12—N1—Cd1—N2	5.68 (16)
C17—C18—N3—C21	177.3 (3)	C8—N1—Cd1—O4^ii	36.3 (2)
C21—C20—N4—C19	−1.3 (4)	C12—N1—Cd1—O4^ii	−139.85 (17)

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+1, y−1/2, −z+1/2; (iii) −x+1, y+1/2, −z+1/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—HW12···O2	0.86 (3)	1.99 (2)	2.787 (3)	155 (3)
O1W—HW11···O4^iv	0.87 (1)	1.96 (3)	2.798 (3)	162 (4)

Symmetry code: (iv) −x, y−1/2, −z+1/2.