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A novel triple stranded cadmium(II) polymer chain: catena poly[cadmium(II) μ 1,2 bis­­(imidazol 1 yl)­ethane κ2N3:N3′ di μ 1,5 dicyanamido κ4N1:N5]

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Acta Crystallographica Section E

Structure Reports Online

ISSN 1600-5368

A novel triple-stranded cadmium(II) polymer chain:

catena

-poly[cadmium(II)-

l

-1,2-bis(imidazol-1-yl)-ethane-

j

2

N

3

:

N

3000

-di-

l

-1,5-dicyanamido-

j

4

N

1

:

N

5

]

Yong Zhang, Zhao-Hui Wang, Yu-Ping Zhang and Bao-Long Li*

Key Laboratory of Organic Synthesis of Jiangsu Province, College of Chemistry and Chemical Engineering, Suzhou University, Suzhou 215123, People’s Republic of China

Correspondence e-mail: blli1965@pub.sz.jsinfo.net

Key indicators

Single-crystal X-ray study

T= 193 K

Mean(C–C) = 0.004 A˚ Disorder in main residue

Rfactor = 0.020

wRfactor = 0.054

Data-to-parameter ratio = 12.3

For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

#2005 International Union of Crystallography Printed in Great Britain – all rights reserved

In the crystal structure of the title complex,

[Cd(C2N3)2(C8H10N4)]n or [Cd(dca)2(bim)]n, where dca is

dicyanamide and bim is 1,2-bis(imidazol-1-yl)ethane, each CdII atom is in a distorted octahedral environment. Four N atoms from four dca ligands occupy the equatorial positions, and two N atoms from two bim ligands occupy the axial positions. Each CdIIatom is situated at a center of symmetry, and a twofold axis runs through the mid-points of the bim exocyclic C—C bond and the Cd Cd vector. The structure consists of chains in which neighboring CdII atoms are connected through one bim and two end-to-end dca bridges.

Comment

Recently, the design and synthesis of coordination polymers have been an area of rapid growth, because of their intriguing structural topologies and their interesting applications in the areas of magnetic, optical and electronic properties (Batten & Robson, 1998; Blake et al., 1999). When rigid bifunctional ligands are used as a spacer to connect metal centers, the topology of the network is usually determined by the coor-dination geometry of the central metal. In contrast to a rigid spacer, a flexible ligand, which can adopt various conforma-tions, may yield coordination polymers with novel topologies. However, the flexible ligand 1,2-bis(imidazol-1-yl)ethane (bim) has not been well studied to date (Wuet al., 1997; Liet al., 2004).

The dicyanamide ligand, [N(CN)2], is also a remarkably

versatile building block for the construction of coordination polymers, since it can act in mono-, bi- or tridentate coordi-nation modes (Riggioet al., 2001; Liet al., 2002). However, the

structurally characterized cadmium(II) dicyanamide

complexes are relatively few (Luo, Hong, Caoet al., 2002; Luo, Hong, Wenget al., 2002; Luoet al., 2003; Gaoet al., 2002). The combination of bim and dicyanamide (dca) can give rise to novel motifs. In the present work, we report the crystal structure of a triple-stranded chain polymer, viz. [Cd(dca)2

(2)

(bim)]n, (I), which has been synthesized with a combination of

bim and dca ligands.

Fig. 1 shows the coordination about the cadmium(II) center in (I). The structure of (I) consists of chains in which neigh-boring CdII atoms are connected through one bim and two end-to-end dca bridges (Fig. 2). Each CdIIatom is situated at a center of symmetry, and a twofold axis runs through the mid-points of the bim exocyclic C—C bond and the Cd Cd vector. The coordination geometry of the CdII atom is distorted octahedral, being coordinated by four N atoms of four symmetry-related dca ligands in the equatorial plane and two N atoms of the imidazole rings of two symmetry-related bim ligands at the axial positions. This coordination environ-ment is similar to those observed in [Cd(dca)2(bpp)]n[bpp is

1,3-bis(4-pyridyl)propane; Gao et al., 2002] and [Cd(dca)2

-(dadpm)]n(dadpm is 4,40-diaminodiphenylmethane; Luoet al.,

2003). The N—Cd—N bond angles are in the range 88.39 (7)– 91.61 (7). The Cd—N

dcaand Cd—Nbimbond lengths (Table 1)

in (I) are similar to corresponding values reported in [Cd(dca)2(bpp)]n[Cd—Ndca= 2.325 (3) and 2.331 (3) A˚ ; Cd—

Nbpp = 2.317 (3) A˚ ] and [Cd(dca)2(dadpm)]n [Cd—Ndca =

2.31 (1) and 2.33 (1) A˚ ; Cd—Ndadpm= 2.39 (1) A˚ ].

The dca ligand adopts an end-to-end coordination mode. Two dca ions link two CdII atoms to form a 12-membered

Cd(dca)2Cd ring, and the neighboring rings share Cd II

atoms to form a [Cd(dca)2]nchain. Similar one-dimensional chains

with double dca bridges have been reported. The chains are usually linear, with theM(dca)2Mrings being flat or in a slight

chair conformation. In (I), the Cd(dca)2Cd rings are bent into

an unusual boat conformation and result a sinusoidal chain. As a consequence of the bend, the Cd Cd distances sepa-rated by dca are 7.284 (2) A˚ ; this is shorter than the corre-sponding distances of 7.597 A˚ in [Cd(dca)2(dadpm)]n(Luoet

al., 2003) and 7.67 A˚ in [Cd(dca)2(pyridine)2]n (Luo, Hong,

Wenget al., 2002).

The bim ligand acts as an additional intra-chain bridge connecting neighboring CdII atoms, without increasing the dimensionality. This behavior of bim is different from that of the rigid ligand 4,40-bipyridine, which would act as inter-chain bridges to increase the dimensionality (Jensen et al., 2002; Martinet al., 2002). The r.m.s. deviation of the imidazole ring atoms from the mean plane is 0.0002 A˚ . The bridging bim molecule exhibits agaucheconformation. The dihedral angle between the two imidazole ring planes of bim is 48.3 (1)and the torsion angle N1—C4—C4i—N1iis79.1 (3). The C—C and C—N bond distances within the bim ligand are in agree-ment with those of the ligand in its metal complexes (Wuet al., 1997; Liet al., 2004).

The free dca ligand possessesC2vsymmetry, while dca in (I)

is disordered. Occupancy factors of 0.50 were assigned to the disordered amide atoms N4Aand N4B. The nitrile C—N bond lengths and the angles within the dca ligand (Table 1) are consistent with the expected hybridization of the atoms.

The chains extend along the crystallographiccaxis and the intra-chain cadmium–cadmium separation is 7.284 (2) A˚ , corresponding to half of thecaxis translation. Parallel chains stack along thebaxis such that the convex bim bow of one

chain extends into the concave bay of the neighboring chain (Fig. 2). The shortest interchain metal–metal distance along the b direction is 8.499 (2) A˚ , corresponding to the b axis translation. Parallel chains also stack along the a direction through weak hydrogen-bond interactions between the uncoordinated amide N atom of dca and the H atom of the ethane group of a neighboring chain [C4—H4A N4A(3

2x,

12 + y, 32 z; Table 2 and Fig. 3]. The shortest inter-chain

metal–metal distance along theaaxis is 7.670 (2) A˚ . Although a number of the chain complexes were synthesized, such uniform triple-stranded chain complexes containing double

bridging dca are relatively few. One example is

[Cd(dca)2(bpp)]n, (II) [bpp is 1,3-bis(4-pyridyl)propane; Gao,

et al., 2002]. The structure of (II) consists of uniform sinusoidal chains in which adjacent Cd atoms are triply linked by two dca and one bpp bridges. The intra-chain cadmium–cadmium separation of (II) is 7.26 A˚ , corresponding to a value of

metal-organic papers

Acta Cryst.(2005). E61, m2722–m2725 Zhanget al. [Cd(C

[image:2.610.316.564.72.218.2] [image:2.610.313.566.273.501.2]

2N3)2(C8H10N4)]

m2723

Figure 1

A view of (I), showing the coordination of the CdII atom, with

displacement ellipsoids drawn at the 50% probability level. Both disorder components of the dca ligands are shown. [Symmetry codes: ($) 1x,y,

1

2z; (#) 1x,y, 3 2z.]

Figure 2

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7.284 (2) A˚ in (I). Two other examples are [Zn(dca)2(bpp)]n

(Gao et al., 2003) and [Cu(dca)2(bpa)]n (bpa is

1,2-bis(4-pyridyl)ethane; Carranzaet al., 2002).

Experimental

An H2O/CH3OH solution (20 ml, 1:1v/v) of bim (0.081 g, 0.50 mmol)

and Na(dca) (0.089 g, 1.0 mmol) was added to one leg of an H-shaped tube and an H2O/CH3OH solution (20 ml, 1:1v/v) of Cd(NO3)24H2O

(0.155 g, 0.5 mmol) was added to the other leg of the tube. Colorless crystals suitable for X-ray analysis were obtained after about two months. The product is stable in the ambient atmosphere and insoluble in most common inorganic and organic solvents. Analysis found: C 35.41, H 2.42, N 34.32%; calculated for C12H10CdN10: C

35.44, H 2.48, N 34.45%.

Crystal data

[Cd(C2N3)2(C8H10N4)]

Mr= 406.71

Monoclinic,C2=c a= 12.770 (3) A˚

b= 8.4986 (17) A˚

c= 14.568 (3) A˚

= 100.162 (6) V= 1556.2 (6) A˚3

Z= 4

Dx= 1.736 Mg m 3 MoKradiation Cell parameters from 3014

reflections

= 3.1–25.4 = 1.42 mm1

T= 193 (2) K Block, colorless 0.400.300.11 mm

Data collection

Rigaku Mercury CCD diffractometer

!scans

Absorption correction: multi-scan (Northet al., 1968)

Tmin= 0.601,Tmax= 0.860 7367 measured reflections

1424 independent reflections 1339 reflections withI> 2(I)

Rint= 0.019

max= 25.3

h=15!15

k=9!10

l=17!17

Refinement

Refinement onF2 R[F2> 2(F2)] = 0.020

wR(F2) = 0.054

S= 1.06 1424 reflections 116 parameters

H-atom parameters constrained

w= 1/[2

(Fo2) + (0.0312P)2 + 1.619P]

whereP= (Fo2+ 2Fc2)/3 (/)max< 0.001

max= 0.37 e A˚

3

min=0.36 e A˚

3

Table 1

Selected geometric parameters (A˚ ,).

Cd1—N2 2.2769 (17) Cd1—N3 2.331 (2) Cd1—N5i

2.3900 (19)

N3—C5 1.133 (3) N5—C6 1.139 (3)

N2—Cd1—N3 89.26 (7) N2—Cd1—N5ii

91.26 (6) N3—Cd1—N5ii

88.39 (7) C6—N4A—C5 116.0 (7) C5—N4B—C6 115.3 (7)

N3—C5—N4B 165.7 (4) N3—C5—N4A 167.1 (5) N5—C6—N4A 167.2 (5) N5—C6—N4B 165.8 (5)

Symmetry codes: (i)xþ1;y;zþ3

[image:3.610.318.565.69.233.2]

2; (ii)x;yþ1;z12.

Table 2

Hydrogen-bond geometry (A˚ ,).

D—H A D—H H A D A D—H A

C4—H4A N4Aiii

0.99 2.50 3.414 (10) 154

Symmetry code: (iii)xþ3 2;y

1 2;zþ

3 2.

H atoms were placed in idealized positions and refined as riding, with C—H distances of 0.95 (imidazole) and 0.99 A˚ (ethane), and withUiso(H) = 1.2Ueq(C).

Data collection: CrystalClear (Rigaku, 2000); cell refinement:

CrystalClear; data reduction:CrystalClear; 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.

This work was supported by the Natural Science Founda-tion of the University of Jiangsu Province (No. 03 KJB150118) and the Fund of the Key Laboratory of Organic Synthesis of Jiangsu Province, People’s Republic of China.

References

Batten, S. R. & Robson, R. (1998).Angew. Chem. Int. Ed.37, 1461–1494. Blake, A. J., Champness, N. R., Hubberstey, P., Li, W. S., Withersby, M. A. &

Schroder, M. (1999).Coord. Chem. Rev.183, 117–138.

Bruker (1998). SHELXTL. Version 5.10. Bruker AXS Inc., Madison, Wisconsin, USA.

Carranza, J., Brennan, C., Sletten, J., Lloret, F. & Julve, M. (2002).J. Chem. Soc. Dalton Trans.pp. 3164–3170.

Gao, E. Q., Bai, S. Q., Wang, Z. M. & Yan, C. H. (2003).J. Chem. Soc. Dalton Trans.pp. 1759–1764.

Gao, E. Q., Wang, Z. M., Liao, C. S. & Yan, C. H. (2002).New J. Chem.26, 1096–1098.

Jensen, P., Batten, S. R., Moubaraki, B. & Murray, K. S. (2002).J. Chem. Soc. Dalton Trans.pp. 3712–3722.

Li, B. L., Ding, J. G., Lang, J. P., Xu, Z. & Chen, J. T. (2002).J. Mol. Struct.616, 175–179.

Li, B. L., Zhu, X., Zhou, J. H. & Zhang, Y. (2004).Acta Cryst.C60, m373– m374.

Luo, J. H., Hong, M. C., Cao, R., Liang, Y. C., Zhao, Y. J., Wang, R. H. & Weng, J. B. (2002).Polyhedron,21, 893–898.

Luo, J. H., Hong, M. C., Wang, R. H., Cao, R., Shi, Q. & Weng, J. B. (2003).Eur. J. Inorg. Chem.pp. 1778–1784.

Luo, J. H., Hong, M. C., Weng, J. B., Zhao, Y. J. & Cao R. (2002).Inorg. Chim. Acta,329, 59–65.

Martin, S., Barandika, M. G., Ezpeleta, J. M., Cortes, R., de Larramendi, J. I. R., Lezama, L. & Rojo, T. (2002).J. Chem. Soc. Dalton Trans.pp. 4275–4280. North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968).Acta Cryst.A24, 351–

359. Figure 3

[image:3.610.41.297.696.729.2]
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Rigaku (2000). CrystalClear. Version 1.3. Rigaku Corporation, Tokyo, Japan.

Riggio, I., van Albada, G. A., Ellis, D. D., Spek, A. L. & Reedijk, J. (2001).

Inorg. Chim. Acta,313, 120–124.

Sheldrick, G. M. (1997)SHELXS97andSHELXL97. University of Go¨ttingen, Germany.

Wu, L. P., Yamagiwa, Y., Kuroda-Sowa, T., Kamikawa, T. & Munakata, M. (1997).Inorg. Chim. Acta,256, 155–159.

metal-organic papers

Acta Cryst.(2005). E61, m2722–m2725 Zhanget al. [Cd(C

(5)

sup-1

Acta Cryst. (2005). E61, m2722–m2725

supporting information

Acta Cryst. (2005). E61, m2722–m2725 [https://doi.org/10.1107/S1600536805038626]

A novel triple-stranded cadmium(II) polymer chain:

catena

-poly[cadmium(II)-µ

-1,2-bis(imidazol-1-yl)ethane-

κ

2

N

3

:

N

3′

-di-

µ

-1,5-dicyanamido-

κ

4

N

1

:

N

5

]

Yong Zhang, Zhao-Hui Wang, Yu-Ping Zhang and Bao-Long Li

catena-poly[cadmium(II)-µ-1,2-bis(imidazol-1-yl)ethane-κ2N3:N3′– di-µ-1,5-dicyanamido-κ4N1:N5]

Crystal data

[Cd(C2N3)2(C8H10N4)]

Mr = 406.71

Monoclinic, C2/c

Hall symbol: -C 2yc

a = 12.770 (3) Å

b = 8.4986 (17) Å

c = 14.568 (3) Å

β = 100.162 (6)°

V = 1556.2 (6) Å3

Z = 4

F(000) = 800

Dx = 1.736 Mg m−3

Mo radiation, λ = 0.71073 Å Cell parameters from 3014 reflections

θ = 3.1–25.4°

µ = 1.42 mm−1

T = 193 K Block, colorless 0.40 × 0.30 × 0.11 mm

Data collection

Rigaku Mercury CCD diffractometer

Radiation source: fine-focus sealed tube Graphite monochromator

ω scans

Absorption correction: multi-scan (North et al., 1968)

Tmin = 0.601, Tmax = 0.860

7367 measured reflections 1424 independent reflections 1339 reflections with I > 2σ(I)

Rint = 0.019

θmax = 25.3°, θmin = 3.1°

h = −15→15

k = −9→10

l = −17→17

Refinement

Refinement on F2

Least-squares matrix: full

R[F2 > 2σ(F2)] = 0.020

wR(F2) = 0.054

S = 1.06 1424 reflections 116 parameters 0 restraints

Primary atom site location: structure-invariant direct methods

Secondary atom site location: difference Fourier map

Hydrogen site location: inferred from neighbouring sites

H-atom parameters constrained

w = 1/[σ2(F

o2) + (0.0312P)2 + 1.619P]

where P = (Fo2 + 2Fc2)/3

(Δ/σ)max < 0.001

Δρmax = 0.37 e Å−3

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supporting information

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Acta Cryst. (2005). E61, m2722–m2725

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 > 2σ(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)

x y z Uiso*/Ueq Occ. (<1)

Cd1 0.5000 0.5000 0.5000 0.02520 (10) N1 0.48122 (13) 0.0401 (2) 0.63851 (12) 0.0248 (3) N2 0.46656 (13) 0.2588 (2) 0.55640 (12) 0.0295 (4) N3 0.62292 (16) 0.5463 (3) 0.63574 (14) 0.0392 (4)

N4A 0.7229 (8) 0.5469 (13) 0.7973 (7) 0.053 (3) 0.50 N4B 0.7206 (8) 0.6142 (11) 0.7873 (8) 0.045 (2) 0.50 N5 0.64184 (15) 0.6042 (2) 0.93115 (13) 0.0386 (4)

C1 0.52394 (16) 0.1813 (2) 0.62616 (14) 0.0280 (4) H1A 0.5875 0.2204 0.6630 0.034* C2 0.38269 (16) 0.1612 (3) 0.52245 (15) 0.0339 (5) H2A 0.3275 0.1852 0.4716 0.041* C3 0.39044 (19) 0.0258 (3) 0.57227 (18) 0.0326 (5) H3A 0.3430 −0.0611 0.5633 0.039* C4 0.52426 (16) −0.0809 (2) 0.70589 (14) 0.0272 (4) H4A 0.6021 −0.0654 0.7234 0.033* H4B 0.5123 −0.1852 0.6757 0.033* C5 0.66585 (16) 0.5622 (3) 0.71016 (16) 0.0348 (5) C6 0.67607 (16) 0.5910 (3) 0.86445 (15) 0.0341 (5)

Atomic displacement parameters (Å2)

U11 U22 U33 U12 U13 U23

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Acta Cryst. (2005). E61, m2722–m2725

Geometric parameters (Å, º)

Cd1—N2i 2.2769 (17) N4A—C5 1.353 (10)

Cd1—N2 2.2769 (17) N4B—C5 1.292 (11)

Cd1—N3 2.331 (2) N4B—C6 1.360 (11)

Cd1—N3i 2.331 (2) N5—C6 1.139 (3)

Cd1—N5ii 2.3900 (19) N5—Cd1iii 2.3900 (19)

Cd1—N5iii 2.3900 (19) C1—H1A 0.9500

N1—C1 1.343 (3) C2—C3 1.355 (3)

N1—C3 1.377 (3) C2—H2A 0.9500

N1—C4 1.460 (3) C3—H3A 0.9500

N2—C1 1.319 (3) C4—C4iii 1.522 (4)

N2—C2 1.375 (3) C4—H4A 0.9900

N3—C5 1.133 (3) C4—H4B 0.9900

N4A—C6 1.290 (11)

N2i—Cd1—N2 180.0 C6—N4A—C5 116.0 (7)

N2i—Cd1—N3 90.74 (7) C5—N4B—C6 115.3 (7)

N2—Cd1—N3 89.26 (7) C6—N5—Cd1iii 139.01 (18)

N2i—Cd1—N3i 89.26 (7) N2—C1—N1 111.44 (18)

N2—Cd1—N3i 90.74 (7) N2—C1—H1A 124.3

N3—Cd1—N3i 180.0 N1—C1—H1A 124.3

N2i—Cd1—N5ii 88.74 (6) C3—C2—N2 109.92 (19)

N2—Cd1—N5ii 91.26 (6) C3—C2—H2A 125.0

N3—Cd1—N5ii 88.39 (7) N2—C2—H2A 125.0

N3i—Cd1—N5ii 91.61 (7) C2—C3—N1 105.86 (19)

N2i—Cd1—N5iii 91.26 (6) C2—C3—H3A 127.1

N2—Cd1—N5iii 88.74 (6) N1—C3—H3A 127.1

N3—Cd1—N5iii 91.61 (7) N1—C4—C4iii 113.99 (15)

N3i—Cd1—N5iii 88.39 (7) N1—C4—H4A 108.8

N5ii—Cd1—N5iii 180.0 C4iii—C4—H4A 108.8

C1—N1—C3 107.27 (18) N1—C4—H4B 108.8 C1—N1—C4 127.25 (17) C4iii—C4—H4B 108.8

C3—N1—C4 125.41 (18) H4A—C4—H4B 107.6 C1—N2—C2 105.51 (17) N3—C5—N4B 165.7 (4) C1—N2—Cd1 127.83 (14) N3—C5—N4A 167.1 (5) C2—N2—Cd1 126.64 (14) N5—C6—N4A 167.2 (5) C5—N3—Cd1 166.24 (19) N5—C6—N4B 165.8 (5)

N3—Cd1—N2—C1 −15.63 (18) C1—N1—C3—C2 0.0 (3) N3i—Cd1—N2—C1 164.37 (18) C4—N1—C3—C2 −177.24 (19)

N5ii—Cd1—N2—C1 72.74 (18) C1—N1—C4—C4iii 98.1 (2)

N5iii—Cd1—N2—C1 −107.26 (18) C3—N1—C4—C4iii −85.3 (3)

N3—Cd1—N2—C2 166.29 (18) Cd1—N3—C5—N4B −126 (2) N3i—Cd1—N2—C2 −13.71 (18) Cd1—N3—C5—N4A 93 (2)

N5ii—Cd1—N2—C2 −105.34 (18) N4A—N4B—C5—N3 −161.2 (11)

N5iii—Cd1—N2—C2 74.66 (18) C6—N4B—C5—N3 134.3 (18)

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supporting information

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Acta Cryst. (2005). E61, m2722–m2725

N2—Cd1—N3—C5 −55.3 (9) N4B—N4A—C5—N3 159.0 (14) N5ii—Cd1—N3—C5 −146.6 (9) C6—N4A—C5—N3 −127.7 (19)

N5iii—Cd1—N3—C5 33.4 (9) C6—N4A—C5—N4B 73 (2)

C6—N4A—N4B—C5 −120.1 (4) Cd1iii—N5—C6—N4A −75 (3)

C5—N4A—N4B—C6 120.1 (4) Cd1iii—N5—C6—N4B 142.2 (19)

C2—N2—C1—N1 −0.1 (2) N4B—N4A—C6—N5 −160.0 (13) Cd1—N2—C1—N1 −178.47 (13) C5—N4A—C6—N5 134 (2) C3—N1—C1—N2 0.1 (2) C5—N4A—C6—N4B −65.9 (16) C4—N1—C1—N2 177.20 (18) N4A—N4B—C6—N5 162.0 (12) C1—N2—C2—C3 0.0 (3) C5—N4B—C6—N5 −126.1 (16) Cd1—N2—C2—C3 178.47 (15) C5—N4B—C6—N4A 71.9 (19) N2—C2—C3—N1 0.0 (3)

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x, −y+1, z−1/2; (iii) −x+1, y, −z+3/2.

Hydrogen-bond geometry (Å, º)

D—H···A D—H H···A D···A D—H···A

C4—H4A···N4Aiv 0.99 2.50 3.414 (10) 154

Figure

Figure 1A view of (I), showing the coordination of the CdII atom, withdisplacement ellipsoids drawn at the 50% probability level
Figure 3

References

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