catena-Poly[[[diiodidocadmium(II)]-μ-1-(4-pyridylmeth-yl)-1H-benzimidazole] methanol hemisolvate].

In the title coordination polymer, {[CdI(2)(C(13)H(11)N(3))]·0.5CH(4)O}(n), each Cd(II) center is four-coordinated by two N-atom donors from two 1-(4-pyridylmeth-yl)-1H-benzimidazole (L) ligands and two iodide anions, forming a tetra-hedral coordination geometry. L ligands bridge adjacent Cd(II) ions, generating two crystallographically independent approximately orthogonal one-dimensional chains. The methanol solvent mol-ecule associates with one of the chains via O-H⋯I inter-actions.

Related literature

For a review of N-containing heterocyclic aromatic compounds as bridging ligands, see: Steel (2005 ▶). For a discussion of benzimidazole ligands in complexes, see: Li et al. (2007 ▶); Meng et al. (2004 ▶). For an example of a silver coordination polymer of the present ligand, see: Huang et al. (2006 ▶). For bond-length data, see: Allen et al. (1987 ▶).

Experimental

Crystal data

[CdI2(C13H11N3)]·0.5CH4O

M = 591.47

Monoclinic,

a = 17.469 (4) Å

b = 12.913 (3) Å

c = 16.814 (3) Å

β = 117.56 (3)°

V = 3362.6 (16) Å3

Z = 8

Mo Kα radiation

μ = 4.97 mm−1

T = 293 (2) K

0.10 × 0.06 × 0.04 mm

Data collection

Rigaku R-AXIS RAPID-S diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 1998 ▶) T min = 0.637, T max = 0.826

33513 measured reflections

5901 independent reflections

5155 reflections with I > 2σ(I)

R int = 0.066

Refinement

R[F 2 > 2σ(F 2)] = 0.024

wR(F 2) = 0.054

S = 1.02

5901 reflections

363 parameters

H-atom parameters constrained

Δρmax = 1.49 e Å−3

Δρmin = −0.81 e Å−3

Data collection: CrystalClear (Rigaku/MSC, 2005 ▶); cell refinement: CrystalClear (Rigaku/MSC, 2005 ▶); data reduction: CrystalClear (Rigaku/MSC, 2005 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997 ▶); molecular graphics: SHELXTL (Bruker, 1998 ▶); software used to prepare material for publication: SHELXTL (Bruker, 1998 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536807061302/sq2002sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807061302/sq2002Isup2.hkl

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

[CdI2(C13H11N3)]·0.5CH4O	F000 = 2184
Mr = 591.47	Dx = 2.337 Mg m−3
Monoclinic, P21/c	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 9593 reflections
a = 17.469 (4) Å	θ = 2.7–25.0º
b = 12.913 (3) Å	µ = 4.97 mm−1
c = 16.814 (3) Å	T = 293 (2) K
β = 117.56 (3)º	Block, colorless
V = 3362.6 (16) Å3	0.10 × 0.06 × 0.04 mm
Z = 8

Rigaku R-AXIS RAPID-S diffractometer	5901 independent reflections
Radiation source: fine-focus sealed tube	5155 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.066
T = 293(2) K	θmax = 25.0º
ω scans	θmin = 2.1º
Absorption correction: multi-scan(SADABS; Bruker, 1998)	h = −20→20
Tmin = 0.637, Tmax = 0.826	k = −15→15
33513 measured reflections	l = −19→19

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.024	H-atom parameters constrained
wR(F2) = 0.054	w = 1/[σ2(Fo2) + (0.0176P)2] where P = (Fo2 + 2Fc2)/3
S = 1.02	(Δ/σ)max = 0.001
5901 reflections	Δρmax = 1.49 e Å−3
363 parameters	Δρmin = −0.81 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

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
Cd1	0.185504 (19)	0.46826 (2)	0.868473 (19)	0.01644 (8)
Cd2	0.272027 (19)	0.52226 (2)	0.547057 (19)	0.01630 (8)
I1	0.356936 (18)	0.51615 (2)	0.948024 (19)	0.02392 (8)
I2	0.109810 (19)	0.27969 (2)	0.825044 (19)	0.02452 (8)
I3	0.2197 (2)	0.3922 (2)	0.6382 (2)	0.0220 (8)
I4	0.178051 (18)	0.61285 (2)	0.385404 (17)	0.02101 (8)
N1	0.1207 (2)	0.5680 (2)	0.7429 (2)	0.0166 (8)
N2	0.0638 (2)	0.8382 (2)	0.4991 (2)	0.0158 (8)
N3	0.1338 (2)	0.9484 (3)	0.4526 (2)	0.0169 (8)
N4	0.32450 (19)	0.6665 (2)	0.6382 (2)	0.0142 (8)
N5	0.4629 (2)	0.9308 (2)	0.8829 (2)	0.0159 (8)
N6	0.6033 (2)	0.9608 (3)	0.9407 (2)	0.0178 (8)
C1	0.1638 (2)	0.6488 (3)	0.7339 (3)	0.0159 (9)
H1A	0.2159	0.6671	0.7826	0.019*
C2	0.1355 (2)	0.7062 (3)	0.6570 (3)	0.0160 (9)
H2A	0.1694	0.7594	0.6531	0.019*
C3	0.0561 (3)	0.6843 (3)	0.5853 (3)	0.0155 (9)
C4	0.0106 (3)	0.5992 (3)	0.5937 (3)	0.0190 (10)
H4A	−0.0423	0.5802	0.5464	0.023*
C5	0.0448 (3)	0.5442 (3)	0.6721 (3)	0.0171 (9)
H5A	0.0141	0.4877	0.6767	0.020*
C6	0.0143 (3)	0.7484 (3)	0.5008 (3)	0.0236 (10)
H6A	0.0044	0.7044	0.4501	0.028*
H6B	−0.0415	0.7718	0.4928	0.028*
C7	0.0926 (2)	0.8603 (3)	0.4385 (3)	0.0167 (9)
H7A	0.0837	0.8165	0.3911	0.020*
C8	0.1326 (2)	0.9898 (3)	0.5286 (3)	0.0152 (9)
C13	0.0877 (2)	0.9230 (3)	0.5583 (3)	0.0135 (9)
C12	0.0736 (3)	0.9453 (3)	0.6317 (3)	0.0175 (10)
H12A	0.0428	0.9009	0.6499	0.021*
C11	0.1082 (3)	1.0372 (3)	0.6757 (3)	0.0220 (10)
H11A	0.0999	1.0559	0.7246	0.026*
C10	0.1551 (3)	1.1025 (3)	0.6488 (3)	0.0220 (10)
H10A	0.1790	1.1624	0.6816	0.026*
C9	0.1674 (3)	1.0815 (3)	0.5751 (3)	0.0186 (10)
H9A	0.1978	1.1269	0.5571	0.022*
C14	0.3534 (2)	0.6536 (3)	0.7270 (3)	0.0176 (9)
H14A	0.3621	0.5867	0.7500	0.021*
C15	0.3706 (2)	0.7354 (3)	0.7848 (3)	0.0191 (10)
H15A	0.3915	0.7236	0.8459	0.023*
C16	0.3568 (2)	0.8352 (3)	0.7520 (3)	0.0152 (9)
C17	0.3283 (2)	0.8485 (3)	0.6601 (3)	0.0161 (9)
H17A	0.3200	0.9147	0.6356	0.019*
C18	0.3127 (2)	0.7629 (3)	0.6064 (3)	0.0175 (10)
H18A	0.2931	0.7726	0.5452	0.021*
C19	0.3725 (2)	0.9284 (3)	0.8137 (3)	0.0174 (9)
H19A	0.3589	0.9917	0.7788	0.021*
H19B	0.3351	0.9241	0.8419	0.021*
C20	0.5281 (3)	0.9789 (3)	0.8737 (3)	0.0162 (9)
H20A	0.5194	1.0200	0.8248	0.019*
C21	0.5015 (3)	0.8769 (3)	0.9641 (3)	0.0165 (9)
C22	0.4677 (3)	0.8140 (3)	1.0078 (3)	0.0217 (10)
H22A	0.4086	0.8028	0.9843	0.026*
C23	0.5263 (3)	0.7690 (3)	1.0875 (3)	0.0273 (11)
H23A	0.5064	0.7264	1.1186	0.033*
C24	0.6145 (3)	0.7866 (3)	1.1220 (3)	0.0257 (11)
H24A	0.6522	0.7539	1.1751	0.031*
C25	0.6478 (3)	0.8505 (3)	1.0806 (3)	0.0224 (10)
H25A	0.7068	0.8631	1.1054	0.027*
C26	0.5893 (3)	0.8961 (3)	0.9996 (3)	0.0166 (9)
C27	0.4068 (3)	0.1849 (4)	0.6542 (3)	0.0435 (14)
H27A	0.4159	0.2210	0.7078	0.065*
H27B	0.3462	0.1835	0.6132	0.065*
H27C	0.4370	0.2200	0.6268	0.065*
O1	0.4380 (2)	0.0826 (2)	0.6760 (2)	0.0395 (9)
H1	0.4366	0.0545	0.6316	0.059*

	U11	U22	U33	U12	U13	U23
Cd1	0.01903 (18)	0.01604 (18)	0.01442 (17)	−0.00084 (13)	0.00788 (14)	0.00038 (13)
Cd2	0.01569 (17)	0.01688 (18)	0.01279 (17)	0.00087 (13)	0.00356 (14)	−0.00074 (13)
I1	0.01795 (16)	0.03018 (19)	0.01836 (16)	−0.00153 (13)	0.00393 (13)	0.00307 (13)
I2	0.02970 (18)	0.01589 (16)	0.03350 (18)	−0.00305 (13)	0.01931 (15)	−0.00410 (13)
I3	0.0239 (2)	0.0196 (2)	0.0212 (2)	−0.0028 (1)	0.0092 (1)	0.0016 (1)
I4	0.02138 (17)	0.02211 (17)	0.01193 (15)	0.00291 (12)	0.00126 (13)	0.00017 (12)
N1	0.016 (2)	0.0158 (19)	0.020 (2)	−0.0012 (15)	0.0105 (17)	0.0010 (16)
N2	0.0174 (19)	0.0115 (19)	0.0131 (18)	−0.0013 (15)	0.0024 (16)	0.0025 (15)
N3	0.018 (2)	0.017 (2)	0.0158 (19)	0.0003 (16)	0.0082 (16)	0.0001 (16)
N4	0.0109 (18)	0.017 (2)	0.0118 (18)	−0.0015 (14)	0.0023 (15)	−0.0026 (15)
N5	0.0129 (19)	0.019 (2)	0.0110 (18)	−0.0038 (15)	0.0017 (16)	−0.0074 (15)
N6	0.0146 (19)	0.021 (2)	0.0166 (19)	−0.0021 (16)	0.0060 (17)	−0.0012 (16)
C1	0.015 (2)	0.012 (2)	0.019 (2)	−0.0009 (18)	0.0061 (19)	−0.0015 (18)
C2	0.015 (2)	0.011 (2)	0.023 (2)	−0.0002 (18)	0.010 (2)	0.0030 (18)
C3	0.019 (2)	0.012 (2)	0.016 (2)	0.0034 (18)	0.0081 (19)	0.0012 (18)
C4	0.014 (2)	0.022 (3)	0.015 (2)	−0.0021 (18)	0.0015 (19)	0.0004 (19)
C5	0.016 (2)	0.016 (2)	0.018 (2)	−0.0031 (18)	0.006 (2)	−0.0014 (19)
C6	0.020 (2)	0.019 (2)	0.022 (2)	−0.009 (2)	0.002 (2)	0.002 (2)
C7	0.020 (2)	0.017 (2)	0.010 (2)	0.0059 (19)	0.0049 (19)	0.0017 (18)
C8	0.009 (2)	0.017 (2)	0.016 (2)	0.0036 (17)	0.0027 (19)	0.0048 (18)
C13	0.013 (2)	0.009 (2)	0.014 (2)	0.0031 (17)	0.0028 (18)	0.0014 (18)
C12	0.020 (2)	0.018 (2)	0.017 (2)	−0.0009 (19)	0.010 (2)	0.0047 (19)
C11	0.033 (3)	0.022 (3)	0.013 (2)	0.008 (2)	0.012 (2)	0.006 (2)
C10	0.029 (3)	0.015 (2)	0.016 (2)	0.002 (2)	0.006 (2)	0.0008 (19)
C9	0.023 (2)	0.014 (2)	0.021 (2)	0.0011 (19)	0.011 (2)	0.0048 (19)
C14	0.014 (2)	0.018 (2)	0.017 (2)	0.0009 (18)	0.0036 (19)	0.0007 (19)
C15	0.015 (2)	0.026 (3)	0.011 (2)	−0.0033 (19)	0.0015 (19)	−0.0015 (19)
C16	0.007 (2)	0.017 (2)	0.019 (2)	−0.0032 (18)	0.0026 (18)	−0.0049 (19)
C17	0.014 (2)	0.012 (2)	0.020 (2)	0.0001 (17)	0.0055 (19)	0.0048 (18)
C18	0.017 (2)	0.022 (3)	0.011 (2)	−0.0009 (19)	0.0038 (19)	0.0006 (19)
C19	0.011 (2)	0.021 (2)	0.016 (2)	−0.0028 (18)	0.0024 (19)	−0.0068 (19)
C20	0.020 (2)	0.017 (2)	0.009 (2)	0.0006 (19)	0.005 (2)	−0.0014 (18)
C21	0.023 (2)	0.015 (2)	0.011 (2)	0.0011 (19)	0.007 (2)	−0.0030 (18)
C22	0.023 (3)	0.025 (3)	0.017 (2)	−0.007 (2)	0.009 (2)	−0.006 (2)
C23	0.040 (3)	0.025 (3)	0.021 (3)	−0.003 (2)	0.017 (2)	0.000 (2)
C24	0.034 (3)	0.022 (3)	0.014 (2)	0.001 (2)	0.005 (2)	0.004 (2)
C25	0.019 (2)	0.021 (2)	0.020 (2)	0.001 (2)	0.003 (2)	−0.003 (2)
C26	0.017 (2)	0.016 (2)	0.015 (2)	0.0023 (18)	0.006 (2)	−0.0025 (18)
C27	0.041 (3)	0.042 (3)	0.041 (3)	0.006 (3)	0.014 (3)	0.005 (3)
O1	0.054 (2)	0.029 (2)	0.0241 (19)	−0.0026 (18)	0.0081 (19)	0.0014 (16)

Cd1—N3i	2.271 (3)	C8—C13	1.405 (5)
Cd1—N1	2.278 (3)	C13—C12	1.395 (5)
Cd1—I2	2.7051 (6)	C12—C11	1.382 (5)
Cd1—I1	2.7264 (10)	C12—H12A	0.9300
Cd2—N6ii	2.236 (3)	C11—C10	1.388 (5)
Cd2—N4	2.315 (3)	C11—H11A	0.9300
Cd2—I3	2.702 (6)	C10—C9	1.380 (5)
Cd2—I4	2.706 (1)	C10—H10A	0.9300
N1—C1	1.334 (5)	C9—H9A	0.9300
N1—C5	1.346 (5)	C14—C15	1.372 (5)
N2—C7	1.359 (5)	C14—H14A	0.9300
N2—C13	1.407 (5)	C15—C16	1.379 (5)
N2—C6	1.453 (5)	C15—H15A	0.9300
N3—C7	1.308 (5)	C16—C17	1.398 (5)
N3—C8	1.394 (5)	C16—C19	1.529 (5)
N3—Cd1iii	2.271 (3)	C17—C18	1.373 (5)
N4—C18	1.333 (5)	C17—H17A	0.9300
N4—C14	1.347 (5)	C18—H18A	0.9300
N5—C20	1.366 (5)	C19—H19A	0.9700
N5—C21	1.397 (5)	C19—H19B	0.9700
N5—C19	1.465 (5)	C20—H20A	0.9300
N6—C20	1.297 (5)	C21—C26	1.386 (5)
N6—C26	1.401 (5)	C21—C22	1.396 (5)
N6—Cd2iv	2.236 (3)	C22—C23	1.383 (6)
C1—C2	1.369 (5)	C22—H22A	0.9300
C1—H1A	0.9300	C23—C24	1.391 (6)
C2—C3	1.382 (5)	C23—H23A	0.9300
C2—H2A	0.9300	C24—C25	1.370 (5)
C3—C4	1.402 (5)	C24—H24A	0.9300
C3—C6	1.509 (5)	C25—C26	1.400 (5)
C4—C5	1.367 (5)	C25—H25A	0.9300
C4—H4A	0.9300	C27—O1	1.412 (5)
C5—H5A	0.9300	C27—H27A	0.9600
C6—H6A	0.9700	C27—H27B	0.9600
C6—H6B	0.9700	C27—H27C	0.9600
C7—H7A	0.9300	O1—H1	0.8200
C8—C9	1.394 (5)
N3i—Cd1—N1	97.99 (11)	C11—C12—H12A	122.0
N3i—Cd1—I2	108.01 (8)	C13—C12—H12A	122.0
N1—Cd1—I2	106.72 (8)	C12—C11—C10	121.7 (4)
N3i—Cd1—I1	104.48 (8)	C12—C11—H11A	119.2
N1—Cd1—I1	106.76 (8)	C10—C11—H11A	119.2
I2—Cd1—I1	128.711 (15)	C9—C10—C11	122.3 (4)
N6ii—Cd2—N4	98.86 (12)	C9—C10—H10A	118.9
N6ii—Cd2—I3	107.34 (9)	C11—C10—H10A	118.9
N4—Cd2—I3	105.01 (8)	C10—C9—C8	117.5 (4)
N6ii—Cd2—I4	110.99 (9)	C10—C9—H9A	121.3
N4—Cd2—I4	100.80 (8)	C8—C9—H9A	121.3
I3—Cd2—I4	129.14 (8)	N4—C14—C15	122.5 (4)
C1—N1—C5	117.1 (3)	N4—C14—H14A	118.7
C1—N1—Cd1	118.8 (3)	C15—C14—H14A	118.7
C5—N1—Cd1	123.7 (3)	C14—C15—C16	119.7 (4)
C7—N2—C13	106.0 (3)	C14—C15—H15A	120.1
C7—N2—C6	127.6 (3)	C16—C15—H15A	120.1
C13—N2—C6	126.3 (3)	C15—C16—C17	117.7 (4)
C7—N3—C8	105.0 (3)	C15—C16—C19	121.4 (4)
C7—N3—Cd1iii	130.1 (3)	C17—C16—C19	120.9 (3)
C8—N3—Cd1iii	124.6 (3)	C18—C17—C16	119.3 (4)
C18—N4—C14	118.0 (3)	C18—C17—H17A	120.4
C18—N4—Cd2	123.1 (3)	C16—C17—H17A	120.4
C14—N4—Cd2	117.7 (3)	N4—C18—C17	122.8 (4)
C20—N5—C21	106.6 (3)	N4—C18—H18A	118.6
C20—N5—C19	124.6 (3)	C17—C18—H18A	118.6
C21—N5—C19	128.3 (3)	N5—C19—C16	110.2 (3)
C20—N6—C26	106.4 (3)	N5—C19—H19A	109.6
C20—N6—Cd2iv	124.7 (3)	C16—C19—H19A	109.6
C26—N6—Cd2iv	128.9 (3)	N5—C19—H19B	109.6
N1—C1—C2	123.6 (4)	C16—C19—H19B	109.6
N1—C1—H1A	118.2	H19A—C19—H19B	108.1
C2—C1—H1A	118.2	N6—C20—N5	112.5 (4)
C1—C2—C3	119.5 (4)	N6—C20—H20A	123.7
C1—C2—H2A	120.3	N5—C20—H20A	123.7
C3—C2—H2A	120.3	C26—C21—C22	122.0 (4)
C2—C3—C4	117.3 (4)	C26—C21—N5	105.6 (3)
C2—C3—C6	124.3 (4)	C22—C21—N5	132.4 (4)
C4—C3—C6	118.4 (4)	C23—C22—C21	116.8 (4)
C5—C4—C3	119.3 (4)	C23—C22—H22A	121.6
C5—C4—H4A	120.4	C21—C22—H22A	121.6
C3—C4—H4A	120.4	C22—C23—C24	121.0 (4)
N1—C5—C4	123.1 (4)	C22—C23—H23A	119.5
N1—C5—H5A	118.4	C24—C23—H23A	119.5
C4—C5—H5A	118.4	C25—C24—C23	122.3 (4)
N2—C6—C3	115.0 (3)	C25—C24—H24A	118.8
N2—C6—H6A	108.5	C23—C24—H24A	118.8
C3—C6—H6A	108.5	C24—C25—C26	117.2 (4)
N2—C6—H6B	108.5	C24—C25—H25A	121.4
C3—C6—H6B	108.5	C26—C25—H25A	121.4
H6A—C6—H6B	107.5	C21—C26—C25	120.5 (4)
N3—C7—N2	114.2 (3)	C21—C26—N6	108.9 (3)
N3—C7—H7A	122.9	C25—C26—N6	130.6 (4)
N2—C7—H7A	122.9	O1—C27—H27A	109.5
N3—C8—C9	130.7 (4)	O1—C27—H27B	109.5
N3—C8—C13	109.8 (4)	H27A—C27—H27B	109.5
C9—C8—C13	119.5 (4)	O1—C27—H27C	109.5
C12—C13—C8	123.0 (4)	H27A—C27—H27C	109.5
C12—C13—N2	132.1 (4)	H27B—C27—H27C	109.5
C8—C13—N2	105.0 (3)	C27—O1—H1	109.5
C11—C12—C13	116.0 (4)
N3i—Cd1—N1—C1	92.6 (3)	N2—C13—C12—C11	179.2 (4)
I2—Cd1—N1—C1	−155.8 (3)	C13—C12—C11—C10	−0.8 (6)
I1—Cd1—N1—C1	−15.2 (3)	C12—C11—C10—C9	2.3 (6)
N3i—Cd1—N1—C5	−94.8 (3)	C11—C10—C9—C8	−1.6 (6)
I2—Cd1—N1—C5	16.8 (3)	N3—C8—C9—C10	179.5 (4)
I1—Cd1—N1—C5	157.4 (3)	C13—C8—C9—C10	−0.4 (6)
N6ii—Cd2—N4—C18	107.4 (3)	C18—N4—C14—C15	0.2 (6)
I3—Cd2—N4—C18	−141.9 (3)	Cd2—N4—C14—C15	−167.5 (3)
I4—Cd2—N4—C18	−6.1 (3)	N4—C14—C15—C16	1.1 (6)
N6ii—Cd2—N4—C14	−85.6 (3)	C14—C15—C16—C17	−2.3 (6)
I3—Cd2—N4—C14	25.1 (3)	C14—C15—C16—C19	178.2 (4)
I4—Cd2—N4—C14	160.9 (3)	C15—C16—C17—C18	2.1 (6)
C5—N1—C1—C2	−1.2 (6)	C19—C16—C17—C18	−178.4 (3)
Cd1—N1—C1—C2	171.9 (3)	C14—N4—C18—C17	−0.4 (6)
N1—C1—C2—C3	3.5 (6)	Cd2—N4—C18—C17	166.6 (3)
C1—C2—C3—C4	−3.7 (6)	C16—C17—C18—N4	−0.8 (6)
C1—C2—C3—C6	173.8 (4)	C20—N5—C19—C16	88.7 (5)
C2—C3—C4—C5	1.9 (6)	C21—N5—C19—C16	−83.1 (4)
C6—C3—C4—C5	−175.7 (4)	C15—C16—C19—N5	59.9 (5)
C1—N1—C5—C4	−0.8 (6)	C17—C16—C19—N5	−119.7 (4)
Cd1—N1—C5—C4	−173.4 (3)	C26—N6—C20—N5	0.2 (4)
C3—C4—C5—N1	0.3 (6)	Cd2iv—N6—C20—N5	179.3 (2)
C7—N2—C6—C3	121.7 (4)	C21—N5—C20—N6	−0.1 (5)
C13—N2—C6—C3	−61.8 (5)	C19—N5—C20—N6	−173.4 (3)
C2—C3—C6—N2	−0.4 (6)	C20—N5—C21—C26	0.0 (4)
C4—C3—C6—N2	177.1 (3)	C19—N5—C21—C26	172.9 (3)
C8—N3—C7—N2	−0.3 (4)	C20—N5—C21—C22	−179.4 (4)
Cd1iii—N3—C7—N2	−174.1 (2)	C19—N5—C21—C22	−6.5 (7)
C13—N2—C7—N3	1.3 (4)	C26—C21—C22—C23	−1.6 (6)
C6—N2—C7—N3	178.3 (3)	N5—C21—C22—C23	177.7 (4)
C7—N3—C8—C9	179.2 (4)	C21—C22—C23—C24	0.2 (6)
Cd1iii—N3—C8—C9	−6.6 (6)	C22—C23—C24—C25	1.5 (7)
C7—N3—C8—C13	−0.9 (4)	C23—C24—C25—C26	−1.8 (6)
Cd1iii—N3—C8—C13	173.3 (2)	C22—C21—C26—C25	1.3 (6)
N3—C8—C13—C12	−178.0 (3)	N5—C21—C26—C25	−178.1 (3)
C9—C8—C13—C12	1.9 (6)	C22—C21—C26—N6	179.6 (4)
N3—C8—C13—N2	1.6 (4)	N5—C21—C26—N6	0.2 (4)
C9—C8—C13—N2	−178.4 (3)	C24—C25—C26—C21	0.4 (6)
C7—N2—C13—C12	177.9 (4)	C24—C25—C26—N6	−177.5 (4)
C6—N2—C13—C12	0.8 (6)	C20—N6—C26—C21	−0.2 (4)
C7—N2—C13—C8	−1.7 (4)	Cd2iv—N6—C26—C21	−179.2 (3)
C6—N2—C13—C8	−178.8 (3)	C20—N6—C26—C25	177.8 (4)
C8—C13—C12—C11	−1.2 (6)	Cd2iv—N6—C26—C25	−1.2 (6)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···I2v	0.82	2.88	3.647 (5)	155

Cd1—N3i	2.271 (3)
Cd1—N1	2.278 (3)
Cd1—I2	2.7051 (6)
Cd1—I1	2.7264 (10)
Cd2—N6ii	2.236 (3)
Cd2—N4	2.315 (3)
Cd2—I3	2.702 (6)
Cd2—I4	2.706 (1)

N3i—Cd1—N1	97.99 (11)
N3i—Cd1—I2	108.01 (8)
N1—Cd1—I2	106.72 (8)
N3i—Cd1—I1	104.48 (8)
N1—Cd1—I1	106.76 (8)
I2—Cd1—I1	128.711 (15)
N6ii—Cd2—N4	98.86 (12)
N6ii—Cd2—I3	107.34 (9)
N4—Cd2—I3	105.01 (8)
N6ii—Cd2—I4	110.99 (9)
N4—Cd2—I4	100.80 (8)
I3—Cd2—I4	129.14 (8)

Symmetry codes: (i) ; (ii) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1⋯I2iii	0.82	2.88	3.647 (5)	155

Symmetry code: (iii) .