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Acta Cryst. (2008). E64, m200    [ doi:10.1107/S1600536807061302 ]

catena-Poly[[[diiodidocadmium(II)]-[mu]-1-(4-pyridylmethyl)-1H-benzimidazole] methanol hemisolvate]

J.-J. Wang, L.-F. Yan and T.-L. Hu

Abstract top

In the title coordination polymer, {[CdI2(C13H11N3)]·0.5CH4O}n, each CdII center is four-coordinated by two N-atom donors from two 1-(4-pyridylmethyl)-1H-benzimidazole (L) ligands and two iodide anions, forming a tetrahedral coordination geometry. L ligands bridge adjacent CdII ions, generating two crystallographically independent approximately orthogonal one-dimensional chains. The methanol solvent molecule associates with one of the chains via O-H...I interactions.

Comment top

N-containing heterocyclic aromatic compounds are extensively used as bridging ligands in coordination and metallosupramolecular chemistry (Steel, 2005). In recent years, benzimidazole groups have been used to link different alkyl or aromatic groups to form a series of bi- and multi-dentate flexible ligands, which can adopt different conformations according to the different geometric requirements of the metal centers when forming complexes (Li et al., 2007). Many complexes with these ligands show unique structural topologies and interesting properties (Meng et al., 2004). Recently, Liu and co-workers synthesized a flexible bridging ligand 1-(pyridin-4-ylmethyl)-1H-benzo[d]imidazole (L) as well as its chiral one-dimensional double helix polymer, [Ag(L)(NO3)]n (Huang et al., 2006). We herein report the crystal structure of a cadmium complex of this ligand (I).

In the molecule of (I), (Fig. 1 and 2), the bond lengths and angles (Table 1) are generally within normal ranges (Allen et al., 1987). The CdII center is tetrahedrally coordinated by two N atoms from two L ligands (L = 1-(pyridin-4-ylmethyl)-1H-benzo[d]imidazole) and two iodide ions. In the extended structure of (I), the CdII centers are interconnected by L ligands to form two one-dimensional chains along two different directions (Fig. 3). The chain containing Cd1 is along the c direction and the other one containing Cd2 is along the b direction, making them essentially orthogonal. The methanol solvate molecules are associated with the Cd1 chains via O—H···I interactions.

Related literature top

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 top

The ligand 1-(pyridin-4-ylmethyl)-1H-benzo[d]imidazole (L) was synthesized according to a reported method (Li et al., 2007). The reaction of L (58 mg, 0.2 mmol), NaI (30 mg, 0.2 mmol) and Cd(ClO4)2 (31 mg, 0.1 mmol) in a solution of methanol and water (v/v = 1:1,10 ml) for a few minutes afforded a white solid, which was separated by filtration. The resulting solution was kept at room temperature. Colorless single crystals suitable for X-ray analysis were obtained by slow evaporation of the solvent after several days (yield: 40%).

Refinement top

H atoms were included in calculated positions and treated in the subsequent refinement as riding atoms, with C—H = 0.93 (aromatic) and 0.97 Å (methylene) and Uiso(H) = 1.2*Ueq(C).

Computing details top

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).

Figures top
[Figure 1] Fig. 1. The coordination environment of Cd1, showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level. [symmetry code: (A) x, 3/2 - y, 1/2 + z].
[Figure 2] Fig. 2. The coordination environment of Cd2, showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level. [symmetry code: (B) 1 - x, -1/2 + y, 3/2 - z].
[Figure 3] Fig. 3. View of the two crystallographically independent one-dimensional chains that run along the b and c axes.
catena-Poly[[[diiodidocadmium(II)]-µ-1-(4-pyridylmethyl)- 1H-benzimidazole] methanol hemisolvate] top
Crystal data top
[CdI2(C13H11N3)]·0.5CH4OF000 = 2184
Mr = 591.47Dx = 2.337 Mg m−3
Monoclinic, P21/cMo Kα radiation
λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 9593 reflections
a = 17.469 (4) Åθ = 2.7–25.0º
b = 12.913 (3) ŵ = 4.97 mm−1
c = 16.814 (3) ÅT = 293 (2) K
β = 117.56 (3)ºBlock, colorless
V = 3362.6 (16) Å30.10 × 0.06 × 0.04 mm
Z = 8
Data collection top
Rigaku R-AXIS RAPID-S
diffractometer		5901 independent reflections
Radiation source: fine-focus sealed tube5155 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.066
T = 293(2) Kθmax = 25.0º
ω scansθmin = 2.1º
Absorption correction: multi-scan
(SADABS; Bruker, 1998)		h = −20→20
Tmin = 0.637, Tmax = 0.826k = −15→15
33513 measured reflectionsl = −19→19
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.024H-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 reflectionsΔρmax = 1.49 e Å−3
363 parametersΔρmin = −0.81 e Å−3
Primary atom site location: structure-invariant direct methodsExtinction correction: none
Crystal data top
[CdI2(C13H11N3)]·0.5CH4OV = 3362.6 (16) Å3
Mr = 591.47Z = 8
Monoclinic, P21/cMo Kα
a = 17.469 (4) ŵ = 4.97 mm−1
b = 12.913 (3) ÅT = 293 (2) K
c = 16.814 (3) Å0.10 × 0.06 × 0.04 mm
β = 117.56 (3)º
Data collection top
Rigaku R-AXIS RAPID-S
diffractometer		5901 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 1998)		5155 reflections with I > 2σ(I)
Tmin = 0.637, Tmax = 0.826Rint = 0.066
33513 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.024363 parameters
wR(F2) = 0.054H-atom parameters constrained
S = 1.02Δρmax = 1.49 e Å−3
5901 reflectionsΔρmin = −0.81 e Å−3
Special details top

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 (Å2) top
xyzUiso*/Ueq
Cd10.185504 (19)0.46826 (2)0.868473 (19)0.01644 (8)
Cd20.272027 (19)0.52226 (2)0.547057 (19)0.01630 (8)
I10.356936 (18)0.51615 (2)0.948024 (19)0.02392 (8)
I20.109810 (19)0.27969 (2)0.825044 (19)0.02452 (8)
I30.2197 (2)0.3922 (2)0.6382 (2)0.0220 (8)
I40.178051 (18)0.61285 (2)0.385404 (17)0.02101 (8)
N10.1207 (2)0.5680 (2)0.7429 (2)0.0166 (8)
N20.0638 (2)0.8382 (2)0.4991 (2)0.0158 (8)
N30.1338 (2)0.9484 (3)0.4526 (2)0.0169 (8)
N40.32450 (19)0.6665 (2)0.6382 (2)0.0142 (8)
N50.4629 (2)0.9308 (2)0.8829 (2)0.0159 (8)
N60.6033 (2)0.9608 (3)0.9407 (2)0.0178 (8)
C10.1638 (2)0.6488 (3)0.7339 (3)0.0159 (9)
H1A0.21590.66710.78260.019*
C20.1355 (2)0.7062 (3)0.6570 (3)0.0160 (9)
H2A0.16940.75940.65310.019*
C30.0561 (3)0.6843 (3)0.5853 (3)0.0155 (9)
C40.0106 (3)0.5992 (3)0.5937 (3)0.0190 (10)
H4A−0.04230.58020.54640.023*
C50.0448 (3)0.5442 (3)0.6721 (3)0.0171 (9)
H5A0.01410.48770.67670.020*
C60.0143 (3)0.7484 (3)0.5008 (3)0.0236 (10)
H6A0.00440.70440.45010.028*
H6B−0.04150.77180.49280.028*
C70.0926 (2)0.8603 (3)0.4385 (3)0.0167 (9)
H7A0.08370.81650.39110.020*
C80.1326 (2)0.9898 (3)0.5286 (3)0.0152 (9)
C130.0877 (2)0.9230 (3)0.5583 (3)0.0135 (9)
C120.0736 (3)0.9453 (3)0.6317 (3)0.0175 (10)
H12A0.04280.90090.64990.021*
C110.1082 (3)1.0372 (3)0.6757 (3)0.0220 (10)
H11A0.09991.05590.72460.026*
C100.1551 (3)1.1025 (3)0.6488 (3)0.0220 (10)
H10A0.17901.16240.68160.026*
C90.1674 (3)1.0815 (3)0.5751 (3)0.0186 (10)
H9A0.19781.12690.55710.022*
C140.3534 (2)0.6536 (3)0.7270 (3)0.0176 (9)
H14A0.36210.58670.75000.021*
C150.3706 (2)0.7354 (3)0.7848 (3)0.0191 (10)
H15A0.39150.72360.84590.023*
C160.3568 (2)0.8352 (3)0.7520 (3)0.0152 (9)
C170.3283 (2)0.8485 (3)0.6601 (3)0.0161 (9)
H17A0.32000.91470.63560.019*
C180.3127 (2)0.7629 (3)0.6064 (3)0.0175 (10)
H18A0.29310.77260.54520.021*
C190.3725 (2)0.9284 (3)0.8137 (3)0.0174 (9)
H19A0.35890.99170.77880.021*
H19B0.33510.92410.84190.021*
C200.5281 (3)0.9789 (3)0.8737 (3)0.0162 (9)
H20A0.51941.02000.82480.019*
C210.5015 (3)0.8769 (3)0.9641 (3)0.0165 (9)
C220.4677 (3)0.8140 (3)1.0078 (3)0.0217 (10)
H22A0.40860.80280.98430.026*
C230.5263 (3)0.7690 (3)1.0875 (3)0.0273 (11)
H23A0.50640.72641.11860.033*
C240.6145 (3)0.7866 (3)1.1220 (3)0.0257 (11)
H24A0.65220.75391.17510.031*
C250.6478 (3)0.8505 (3)1.0806 (3)0.0224 (10)
H25A0.70680.86311.10540.027*
C260.5893 (3)0.8961 (3)0.9996 (3)0.0166 (9)
C270.4068 (3)0.1849 (4)0.6542 (3)0.0435 (14)
H27A0.41590.22100.70780.065*
H27B0.34620.18350.61320.065*
H27C0.43700.22000.62680.065*
O10.4380 (2)0.0826 (2)0.6760 (2)0.0395 (9)
H10.43660.05450.63160.059*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.01903 (18)0.01604 (18)0.01442 (17)−0.00084 (13)0.00788 (14)0.00038 (13)
Cd20.01569 (17)0.01688 (18)0.01279 (17)0.00087 (13)0.00356 (14)−0.00074 (13)
I10.01795 (16)0.03018 (19)0.01836 (16)−0.00153 (13)0.00393 (13)0.00307 (13)
I20.02970 (18)0.01589 (16)0.03350 (18)−0.00305 (13)0.01931 (15)−0.00410 (13)
I30.0239 (2)0.0196 (2)0.0212 (2)−0.0028 (1)0.0092 (1)0.0016 (1)
I40.02138 (17)0.02211 (17)0.01193 (15)0.00291 (12)0.00126 (13)0.00017 (12)
N10.016 (2)0.0158 (19)0.020 (2)−0.0012 (15)0.0105 (17)0.0010 (16)
N20.0174 (19)0.0115 (19)0.0131 (18)−0.0013 (15)0.0024 (16)0.0025 (15)
N30.018 (2)0.017 (2)0.0158 (19)0.0003 (16)0.0082 (16)0.0001 (16)
N40.0109 (18)0.017 (2)0.0118 (18)−0.0015 (14)0.0023 (15)−0.0026 (15)
N50.0129 (19)0.019 (2)0.0110 (18)−0.0038 (15)0.0017 (16)−0.0074 (15)
N60.0146 (19)0.021 (2)0.0166 (19)−0.0021 (16)0.0060 (17)−0.0012 (16)
C10.015 (2)0.012 (2)0.019 (2)−0.0009 (18)0.0061 (19)−0.0015 (18)
C20.015 (2)0.011 (2)0.023 (2)−0.0002 (18)0.010 (2)0.0030 (18)
C30.019 (2)0.012 (2)0.016 (2)0.0034 (18)0.0081 (19)0.0012 (18)
C40.014 (2)0.022 (3)0.015 (2)−0.0021 (18)0.0015 (19)0.0004 (19)
C50.016 (2)0.016 (2)0.018 (2)−0.0031 (18)0.006 (2)−0.0014 (19)
C60.020 (2)0.019 (2)0.022 (2)−0.009 (2)0.002 (2)0.002 (2)
C70.020 (2)0.017 (2)0.010 (2)0.0059 (19)0.0049 (19)0.0017 (18)
C80.009 (2)0.017 (2)0.016 (2)0.0036 (17)0.0027 (19)0.0048 (18)
C130.013 (2)0.009 (2)0.014 (2)0.0031 (17)0.0028 (18)0.0014 (18)
C120.020 (2)0.018 (2)0.017 (2)−0.0009 (19)0.010 (2)0.0047 (19)
C110.033 (3)0.022 (3)0.013 (2)0.008 (2)0.012 (2)0.006 (2)
C100.029 (3)0.015 (2)0.016 (2)0.002 (2)0.006 (2)0.0008 (19)
C90.023 (2)0.014 (2)0.021 (2)0.0011 (19)0.011 (2)0.0048 (19)
C140.014 (2)0.018 (2)0.017 (2)0.0009 (18)0.0036 (19)0.0007 (19)
C150.015 (2)0.026 (3)0.011 (2)−0.0033 (19)0.0015 (19)−0.0015 (19)
C160.007 (2)0.017 (2)0.019 (2)−0.0032 (18)0.0026 (18)−0.0049 (19)
C170.014 (2)0.012 (2)0.020 (2)0.0001 (17)0.0055 (19)0.0048 (18)
C180.017 (2)0.022 (3)0.011 (2)−0.0009 (19)0.0038 (19)0.0006 (19)
C190.011 (2)0.021 (2)0.016 (2)−0.0028 (18)0.0024 (19)−0.0068 (19)
C200.020 (2)0.017 (2)0.009 (2)0.0006 (19)0.005 (2)−0.0014 (18)
C210.023 (2)0.015 (2)0.011 (2)0.0011 (19)0.007 (2)−0.0030 (18)
C220.023 (3)0.025 (3)0.017 (2)−0.007 (2)0.009 (2)−0.006 (2)
C230.040 (3)0.025 (3)0.021 (3)−0.003 (2)0.017 (2)0.000 (2)
C240.034 (3)0.022 (3)0.014 (2)0.001 (2)0.005 (2)0.004 (2)
C250.019 (2)0.021 (2)0.020 (2)0.001 (2)0.003 (2)−0.003 (2)
C260.017 (2)0.016 (2)0.015 (2)0.0023 (18)0.006 (2)−0.0025 (18)
C270.041 (3)0.042 (3)0.041 (3)0.006 (3)0.014 (3)0.005 (3)
O10.054 (2)0.029 (2)0.0241 (19)−0.0026 (18)0.0081 (19)0.0014 (16)
Geometric parameters (Å, °) top
Cd1—N3i2.271 (3)C8—C131.405 (5)
Cd1—N12.278 (3)C13—C121.395 (5)
Cd1—I22.7051 (6)C12—C111.382 (5)
Cd1—I12.7264 (10)C12—H12A0.9300
Cd2—N6ii2.236 (3)C11—C101.388 (5)
Cd2—N42.315 (3)C11—H11A0.9300
Cd2—I32.702 (6)C10—C91.380 (5)
Cd2—I42.706 (1)C10—H10A0.9300
N1—C11.334 (5)C9—H9A0.9300
N1—C51.346 (5)C14—C151.372 (5)
N2—C71.359 (5)C14—H14A0.9300
N2—C131.407 (5)C15—C161.379 (5)
N2—C61.453 (5)C15—H15A0.9300
N3—C71.308 (5)C16—C171.398 (5)
N3—C81.394 (5)C16—C191.529 (5)
N3—Cd1iii2.271 (3)C17—C181.373 (5)
N4—C181.333 (5)C17—H17A0.9300
N4—C141.347 (5)C18—H18A0.9300
N5—C201.366 (5)C19—H19A0.9700
N5—C211.397 (5)C19—H19B0.9700
N5—C191.465 (5)C20—H20A0.9300
N6—C201.297 (5)C21—C261.386 (5)
N6—C261.401 (5)C21—C221.396 (5)
N6—Cd2iv2.236 (3)C22—C231.383 (6)
C1—C21.369 (5)C22—H22A0.9300
C1—H1A0.9300C23—C241.391 (6)
C2—C31.382 (5)C23—H23A0.9300
C2—H2A0.9300C24—C251.370 (5)
C3—C41.402 (5)C24—H24A0.9300
C3—C61.509 (5)C25—C261.400 (5)
C4—C51.367 (5)C25—H25A0.9300
C4—H4A0.9300C27—O11.412 (5)
C5—H5A0.9300C27—H27A0.9600
C6—H6A0.9700C27—H27B0.9600
C6—H6B0.9700C27—H27C0.9600
C7—H7A0.9300O1—H10.8200
C8—C91.394 (5)
N3i—Cd1—N197.99 (11)C11—C12—H12A122.0
N3i—Cd1—I2108.01 (8)C13—C12—H12A122.0
N1—Cd1—I2106.72 (8)C12—C11—C10121.7 (4)
N3i—Cd1—I1104.48 (8)C12—C11—H11A119.2
N1—Cd1—I1106.76 (8)C10—C11—H11A119.2
I2—Cd1—I1128.711 (15)C9—C10—C11122.3 (4)
N6ii—Cd2—N498.86 (12)C9—C10—H10A118.9
N6ii—Cd2—I3107.34 (9)C11—C10—H10A118.9
N4—Cd2—I3105.01 (8)C10—C9—C8117.5 (4)
N6ii—Cd2—I4110.99 (9)C10—C9—H9A121.3
N4—Cd2—I4100.80 (8)C8—C9—H9A121.3
I3—Cd2—I4129.14 (8)N4—C14—C15122.5 (4)
C1—N1—C5117.1 (3)N4—C14—H14A118.7
C1—N1—Cd1118.8 (3)C15—C14—H14A118.7
C5—N1—Cd1123.7 (3)C14—C15—C16119.7 (4)
C7—N2—C13106.0 (3)C14—C15—H15A120.1
C7—N2—C6127.6 (3)C16—C15—H15A120.1
C13—N2—C6126.3 (3)C15—C16—C17117.7 (4)
C7—N3—C8105.0 (3)C15—C16—C19121.4 (4)
C7—N3—Cd1iii130.1 (3)C17—C16—C19120.9 (3)
C8—N3—Cd1iii124.6 (3)C18—C17—C16119.3 (4)
C18—N4—C14118.0 (3)C18—C17—H17A120.4
C18—N4—Cd2123.1 (3)C16—C17—H17A120.4
C14—N4—Cd2117.7 (3)N4—C18—C17122.8 (4)
C20—N5—C21106.6 (3)N4—C18—H18A118.6
C20—N5—C19124.6 (3)C17—C18—H18A118.6
C21—N5—C19128.3 (3)N5—C19—C16110.2 (3)
C20—N6—C26106.4 (3)N5—C19—H19A109.6
C20—N6—Cd2iv124.7 (3)C16—C19—H19A109.6
C26—N6—Cd2iv128.9 (3)N5—C19—H19B109.6
N1—C1—C2123.6 (4)C16—C19—H19B109.6
N1—C1—H1A118.2H19A—C19—H19B108.1
C2—C1—H1A118.2N6—C20—N5112.5 (4)
C1—C2—C3119.5 (4)N6—C20—H20A123.7
C1—C2—H2A120.3N5—C20—H20A123.7
C3—C2—H2A120.3C26—C21—C22122.0 (4)
C2—C3—C4117.3 (4)C26—C21—N5105.6 (3)
C2—C3—C6124.3 (4)C22—C21—N5132.4 (4)
C4—C3—C6118.4 (4)C23—C22—C21116.8 (4)
C5—C4—C3119.3 (4)C23—C22—H22A121.6
C5—C4—H4A120.4C21—C22—H22A121.6
C3—C4—H4A120.4C22—C23—C24121.0 (4)
N1—C5—C4123.1 (4)C22—C23—H23A119.5
N1—C5—H5A118.4C24—C23—H23A119.5
C4—C5—H5A118.4C25—C24—C23122.3 (4)
N2—C6—C3115.0 (3)C25—C24—H24A118.8
N2—C6—H6A108.5C23—C24—H24A118.8
C3—C6—H6A108.5C24—C25—C26117.2 (4)
N2—C6—H6B108.5C24—C25—H25A121.4
C3—C6—H6B108.5C26—C25—H25A121.4
H6A—C6—H6B107.5C21—C26—C25120.5 (4)
N3—C7—N2114.2 (3)C21—C26—N6108.9 (3)
N3—C7—H7A122.9C25—C26—N6130.6 (4)
N2—C7—H7A122.9O1—C27—H27A109.5
N3—C8—C9130.7 (4)O1—C27—H27B109.5
N3—C8—C13109.8 (4)H27A—C27—H27B109.5
C9—C8—C13119.5 (4)O1—C27—H27C109.5
C12—C13—C8123.0 (4)H27A—C27—H27C109.5
C12—C13—N2132.1 (4)H27B—C27—H27C109.5
C8—C13—N2105.0 (3)C27—O1—H1109.5
C11—C12—C13116.0 (4)
N3i—Cd1—N1—C192.6 (3)N2—C13—C12—C11179.2 (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—C92.3 (6)
N3i—Cd1—N1—C5−94.8 (3)C11—C10—C9—C8−1.6 (6)
I2—Cd1—N1—C516.8 (3)N3—C8—C9—C10179.5 (4)
I1—Cd1—N1—C5157.4 (3)C13—C8—C9—C10−0.4 (6)
N6ii—Cd2—N4—C18107.4 (3)C18—N4—C14—C150.2 (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—C161.1 (6)
N6ii—Cd2—N4—C14−85.6 (3)C14—C15—C16—C17−2.3 (6)
I3—Cd2—N4—C1425.1 (3)C14—C15—C16—C19178.2 (4)
I4—Cd2—N4—C14160.9 (3)C15—C16—C17—C182.1 (6)
C5—N1—C1—C2−1.2 (6)C19—C16—C17—C18−178.4 (3)
Cd1—N1—C1—C2171.9 (3)C14—N4—C18—C17−0.4 (6)
N1—C1—C2—C33.5 (6)Cd2—N4—C18—C17166.6 (3)
C1—C2—C3—C4−3.7 (6)C16—C17—C18—N4−0.8 (6)
C1—C2—C3—C6173.8 (4)C20—N5—C19—C1688.7 (5)
C2—C3—C4—C51.9 (6)C21—N5—C19—C16−83.1 (4)
C6—C3—C4—C5−175.7 (4)C15—C16—C19—N559.9 (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—N50.2 (4)
C3—C4—C5—N10.3 (6)Cd2iv—N6—C20—N5179.3 (2)
C7—N2—C6—C3121.7 (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—C260.0 (4)
C4—C3—C6—N2177.1 (3)C19—N5—C21—C26172.9 (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—N31.3 (4)C26—C21—C22—C23−1.6 (6)
C6—N2—C7—N3178.3 (3)N5—C21—C22—C23177.7 (4)
C7—N3—C8—C9179.2 (4)C21—C22—C23—C240.2 (6)
Cd1iii—N3—C8—C9−6.6 (6)C22—C23—C24—C251.5 (7)
C7—N3—C8—C13−0.9 (4)C23—C24—C25—C26−1.8 (6)
Cd1iii—N3—C8—C13173.3 (2)C22—C21—C26—C251.3 (6)
N3—C8—C13—C12−178.0 (3)N5—C21—C26—C25−178.1 (3)
C9—C8—C13—C121.9 (6)C22—C21—C26—N6179.6 (4)
N3—C8—C13—N21.6 (4)N5—C21—C26—N60.2 (4)
C9—C8—C13—N2−178.4 (3)C24—C25—C26—C210.4 (6)
C7—N2—C13—C12177.9 (4)C24—C25—C26—N6−177.5 (4)
C6—N2—C13—C120.8 (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—C25177.8 (4)
C8—C13—C12—C11−1.2 (6)Cd2iv—N6—C26—C25−1.2 (6)
Symmetry codes: (i) x, −y+3/2, z+1/2; (ii) −x+1, y−1/2, −z+3/2; (iii) x, −y+3/2, z−1/2; (iv) −x+1, y+1/2, −z+3/2.
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O1—H1···I2v0.822.883.647 (5)155
Symmetry codes: (v) x, −y+1/2, z−1/2.
Table 1
Selected geometric parameters (Å, °) top
Cd1—N3i2.271 (3)Cd2—N6ii2.236 (3)
Cd1—N12.278 (3)Cd2—N42.315 (3)
Cd1—I22.7051 (6)Cd2—I32.702 (6)
Cd1—I12.7264 (10)Cd2—I42.706 (1)
N3i—Cd1—N197.99 (11)N6ii—Cd2—N498.86 (12)
N3i—Cd1—I2108.01 (8)N6ii—Cd2—I3107.34 (9)
N1—Cd1—I2106.72 (8)N4—Cd2—I3105.01 (8)
N3i—Cd1—I1104.48 (8)N6ii—Cd2—I4110.99 (9)
N1—Cd1—I1106.76 (8)N4—Cd2—I4100.80 (8)
I2—Cd1—I1128.711 (15)I3—Cd2—I4129.14 (8)
Symmetry codes: (i) x, −y+3/2, z+1/2; (ii) −x+1, y−1/2, −z+3/2.
Table 2
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O1—H1···I2iii0.822.883.647 (5)155
Symmetry codes: (iii) x, −y+1/2, z−1/2.
Acknowledgements top

The authors thank Nankai University for supporting this work.

references
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