Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270107052638/dn3068sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108270107052638/dn3068Isup2.hkl |
CCDC reference: 672401
For related literature, see: Abu-Youssef (2005); Harvey et al. (2003); Kaes et al. (2000); Kim & Kim (2000); Liu et al. (2006); Rodesiler et al. (1984); Xia et al. (2004); Yang & Ng (2004); Ye et al. (2000, 2005); Zhou et al. (2003).
A methanol solution (5 ml) of 2,2'-bipyridyl (16 mg, 0.1 mmol) was carefully layered onto a buffer of methanol (2 ml), below which an aqueous solution (5 ml) containing a mixture of cadmium(II) dichloride hemipentahydrate (24 mg, 0.1 mmol) and ammonium thiocyanate (16 mg, 0.2 mmol) was placed in a straight glass tube. Colorless block-shaped crystals of (I) and colorless prismatic crystals of (II) were obtained simultaneously on the tube wall after several days, and were separated manually under a microscope [yield 45–50% for (I) and 10–15% for (II)]. IR (KBr pellet, cm-1) for (I): 2104 (vs), 1592 (w), 1471 (w), 1433 (m), 1310 (w), 1244 (w), 1155 (s), 1058 (w), 1013 (m), 764 (m), 733 (w), 647 (w).
There was no evidence of crystal decay during data collection. All H atoms were placed at the calculated positions, with C—H distance of 0.93 Å, and treated as riding. The Uiso(H) values were set to 1.2Ueq with regard to their parent carbon atoms.
Data collection: APEX2 (Bruker, 2003); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Burnett & Johnson, 1996), ORTEP-3 (Farrugia, 1997) and Diamond (Brandenburg, 2005); software used to prepare material for publication: SHELXTL (Bruker, 2001).
[CdCl(NCS)(C10H8N2)] | Z = 2 |
Mr = 362.11 | F(000) = 352 |
Triclinic, P1 | Dx = 1.962 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 8.0149 (7) Å | Cell parameters from 2556 reflections |
b = 9.2527 (8) Å | θ = 2.4–27.8° |
c = 9.5534 (8) Å | µ = 2.15 mm−1 |
α = 103.031 (1)° | T = 294 K |
β = 106.938 (1)° | Block, colorless |
γ = 106.303 (1)° | 0.32 × 0.26 × 0.20 mm |
V = 612.98 (9) Å3 |
Bruker APEXII CCD area-detector diffractometer | 2126 independent reflections |
Radiation source: fine-focus sealed tube | 2000 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.016 |
ϕ and ω scans | θmax = 25.0°, θmin = 2.4° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −9→6 |
Tmin = 0.523, Tmax = 0.724 | k = −10→10 |
3325 measured reflections | l = −9→11 |
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)] = 0.018 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.045 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0233P)2 + 0.1701P] where P = (Fo2 + 2Fc2)/3 |
2126 reflections | (Δ/σ)max < 0.001 |
154 parameters | Δρmax = 0.21 e Å−3 |
0 restraints | Δρmin = −0.50 e Å−3 |
[CdCl(NCS)(C10H8N2)] | γ = 106.303 (1)° |
Mr = 362.11 | V = 612.98 (9) Å3 |
Triclinic, P1 | Z = 2 |
a = 8.0149 (7) Å | Mo Kα radiation |
b = 9.2527 (8) Å | µ = 2.15 mm−1 |
c = 9.5534 (8) Å | T = 294 K |
α = 103.031 (1)° | 0.32 × 0.26 × 0.20 mm |
β = 106.938 (1)° |
Bruker APEXII CCD area-detector diffractometer | 2126 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 2000 reflections with I > 2σ(I) |
Tmin = 0.523, Tmax = 0.724 | Rint = 0.016 |
3325 measured reflections |
R[F2 > 2σ(F2)] = 0.018 | 0 restraints |
wR(F2) = 0.045 | H-atom parameters constrained |
S = 1.04 | Δρmax = 0.21 e Å−3 |
2126 reflections | Δρmin = −0.50 e Å−3 |
154 parameters |
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 | −0.01334 (2) | 0.708160 (18) | 0.083907 (17) | 0.03188 (7) | |
Cl1 | 0.21650 (8) | 0.54146 (7) | 0.15382 (6) | 0.03779 (14) | |
S1 | 0.24401 (10) | 0.85341 (8) | −0.01728 (8) | 0.04239 (16) | |
N1 | 0.1456 (3) | 0.8904 (2) | 0.3396 (2) | 0.0339 (4) | |
N2 | −0.1540 (3) | 0.6170 (2) | 0.2488 (2) | 0.0338 (4) | |
N3 | 0.1891 (3) | 1.1390 (3) | −0.0190 (3) | 0.0433 (5) | |
C1 | 0.1040 (3) | 0.8435 (3) | 0.4520 (3) | 0.0313 (5) | |
C2 | 0.2818 (4) | 1.0323 (3) | 0.3798 (3) | 0.0432 (6) | |
H2 | 0.3098 | 1.0653 | 0.3015 | 0.052* | |
C3 | 0.3825 (4) | 1.1320 (3) | 0.5309 (3) | 0.0465 (6) | |
H3 | 0.4745 | 1.2309 | 0.5541 | 0.056* | |
C4 | 0.3443 (4) | 1.0821 (3) | 0.6458 (3) | 0.0483 (7) | |
H4 | 0.4121 | 1.1456 | 0.7494 | 0.058* | |
C5 | 0.2046 (4) | 0.9373 (3) | 0.6070 (3) | 0.0463 (6) | |
H5 | 0.1773 | 0.9019 | 0.6843 | 0.056* | |
C6 | −0.0585 (3) | 0.6910 (3) | 0.4026 (3) | 0.0329 (5) | |
C7 | −0.3088 (4) | 0.4864 (3) | 0.2000 (3) | 0.0432 (6) | |
H7 | −0.3752 | 0.4357 | 0.0937 | 0.052* | |
C8 | −0.3741 (4) | 0.4236 (3) | 0.2989 (4) | 0.0539 (7) | |
H8 | −0.4840 | 0.3336 | 0.2606 | 0.065* | |
C9 | −0.2746 (4) | 0.4957 (4) | 0.4556 (4) | 0.0543 (7) | |
H9 | −0.3144 | 0.4539 | 0.5253 | 0.065* | |
C10 | −0.1153 (4) | 0.6307 (3) | 0.5087 (3) | 0.0452 (6) | |
H10 | −0.0462 | 0.6812 | 0.6147 | 0.054* | |
C11 | 0.2091 (3) | 1.0209 (3) | −0.0175 (3) | 0.0329 (5) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cd1 | 0.04384 (12) | 0.02413 (10) | 0.02389 (10) | 0.00995 (8) | 0.01088 (7) | 0.00719 (7) |
Cl1 | 0.0433 (3) | 0.0287 (3) | 0.0284 (3) | 0.0124 (2) | 0.0012 (2) | 0.0036 (2) |
S1 | 0.0589 (4) | 0.0367 (3) | 0.0496 (4) | 0.0252 (3) | 0.0312 (3) | 0.0234 (3) |
N1 | 0.0422 (11) | 0.0292 (10) | 0.0276 (10) | 0.0103 (9) | 0.0130 (8) | 0.0088 (8) |
N2 | 0.0384 (11) | 0.0295 (10) | 0.0311 (10) | 0.0118 (9) | 0.0116 (8) | 0.0090 (8) |
N3 | 0.0524 (13) | 0.0357 (12) | 0.0463 (13) | 0.0191 (10) | 0.0187 (10) | 0.0185 (10) |
C1 | 0.0363 (12) | 0.0342 (12) | 0.0279 (11) | 0.0178 (10) | 0.0130 (9) | 0.0114 (10) |
C2 | 0.0523 (15) | 0.0326 (13) | 0.0360 (13) | 0.0055 (12) | 0.0167 (11) | 0.0087 (11) |
C3 | 0.0465 (15) | 0.0339 (14) | 0.0427 (15) | 0.0052 (11) | 0.0113 (12) | 0.0027 (12) |
C4 | 0.0485 (15) | 0.0468 (16) | 0.0294 (13) | 0.0122 (13) | 0.0033 (11) | −0.0014 (12) |
C5 | 0.0567 (16) | 0.0518 (16) | 0.0265 (12) | 0.0165 (13) | 0.0145 (11) | 0.0124 (12) |
C6 | 0.0395 (12) | 0.0356 (13) | 0.0313 (12) | 0.0190 (10) | 0.0162 (10) | 0.0149 (10) |
C7 | 0.0435 (14) | 0.0361 (14) | 0.0429 (14) | 0.0101 (11) | 0.0133 (11) | 0.0103 (12) |
C8 | 0.0477 (15) | 0.0465 (16) | 0.066 (2) | 0.0068 (13) | 0.0253 (14) | 0.0239 (15) |
C9 | 0.0583 (17) | 0.0597 (18) | 0.0569 (18) | 0.0172 (15) | 0.0321 (15) | 0.0336 (15) |
C10 | 0.0506 (15) | 0.0525 (16) | 0.0388 (14) | 0.0196 (13) | 0.0201 (12) | 0.0222 (12) |
C11 | 0.0383 (12) | 0.0336 (13) | 0.0263 (11) | 0.0105 (10) | 0.0121 (9) | 0.0128 (10) |
Cd1—N3i | 2.319 (2) | C2—C3 | 1.374 (4) |
Cd1—N1 | 2.3576 (19) | C2—H2 | 0.9300 |
Cd1—N2 | 2.3592 (19) | C3—C4 | 1.363 (4) |
Cd1—Cl1ii | 2.5519 (6) | C3—H3 | 0.9300 |
Cd1—S1 | 2.6807 (7) | C4—C5 | 1.370 (4) |
Cd1—Cl1 | 2.7498 (6) | C4—H4 | 0.9300 |
S1—C11 | 1.651 (2) | C5—H5 | 0.9300 |
N1—C2 | 1.337 (3) | C6—C10 | 1.388 (3) |
N1—C1 | 1.338 (3) | C7—C8 | 1.368 (4) |
N2—C7 | 1.336 (3) | C7—H7 | 0.9300 |
N2—C6 | 1.345 (3) | C8—C9 | 1.370 (4) |
N3—C11 | 1.150 (3) | C8—H8 | 0.9300 |
N3—Cd1i | 2.319 (2) | C9—C10 | 1.375 (4) |
C1—C5 | 1.388 (3) | C9—H9 | 0.9300 |
C1—C6 | 1.490 (3) | C10—H10 | 0.9300 |
N3i—Cd1—N1 | 90.77 (7) | N1—C2—H2 | 118.3 |
N3i—Cd1—N2 | 96.76 (7) | C3—C2—H2 | 118.3 |
N1—Cd1—N2 | 69.92 (7) | C4—C3—C2 | 118.3 (2) |
N3i—Cd1—Cl1ii | 96.36 (6) | C4—C3—H3 | 120.8 |
N1—Cd1—Cl1ii | 164.01 (5) | C2—C3—H3 | 120.8 |
N2—Cd1—Cl1ii | 94.97 (5) | C3—C4—C5 | 119.2 (2) |
N3i—Cd1—S1 | 92.03 (6) | C3—C4—H4 | 120.4 |
N1—Cd1—S1 | 93.69 (5) | C5—C4—H4 | 120.4 |
N2—Cd1—S1 | 161.41 (5) | C4—C5—C1 | 120.0 (2) |
Cl1ii—Cd1—S1 | 100.31 (2) | C4—C5—H5 | 120.0 |
N3i—Cd1—Cl1 | 175.34 (6) | C1—C5—H5 | 120.0 |
N1—Cd1—Cl1 | 89.18 (5) | N2—C6—C10 | 121.0 (2) |
N2—Cd1—Cl1 | 87.60 (5) | N2—C6—C1 | 116.7 (2) |
Cl1ii—Cd1—Cl1 | 84.858 (19) | C10—C6—C1 | 122.2 (2) |
S1—Cd1—Cl1 | 83.32 (2) | N2—C7—C8 | 123.1 (3) |
Cd1ii—Cl1—Cd1 | 95.142 (19) | N2—C7—H7 | 118.4 |
C11—S1—Cd1 | 102.74 (9) | C8—C7—H7 | 118.4 |
C2—N1—C1 | 118.4 (2) | C7—C8—C9 | 118.7 (3) |
C2—N1—Cd1 | 124.12 (16) | C7—C8—H8 | 120.7 |
C1—N1—Cd1 | 117.34 (15) | C9—C8—H8 | 120.7 |
C7—N2—C6 | 118.5 (2) | C8—C9—C10 | 119.2 (3) |
C7—N2—Cd1 | 124.02 (17) | C8—C9—H9 | 120.4 |
C6—N2—Cd1 | 116.96 (15) | C10—C9—H9 | 120.4 |
C11—N3—Cd1i | 154.0 (2) | C9—C10—C6 | 119.4 (3) |
N1—C1—C5 | 120.7 (2) | C9—C10—H10 | 120.3 |
N1—C1—C6 | 117.1 (2) | C6—C10—H10 | 120.3 |
C5—C1—C6 | 122.2 (2) | N3—C11—S1 | 178.0 (2) |
N1—C2—C3 | 123.3 (3) | ||
N1—Cd1—Cl1—Cd1ii | 165.14 (5) | Cl1—Cd1—N2—C6 | 77.48 (16) |
N2—Cd1—Cl1—Cd1ii | 95.21 (5) | C2—N1—C1—C5 | −2.3 (3) |
Cl1ii—Cd1—Cl1—Cd1ii | 0.0 | Cd1—N1—C1—C5 | 173.52 (18) |
S1—Cd1—Cl1—Cd1ii | −101.04 (2) | C2—N1—C1—C6 | 175.2 (2) |
N3i—Cd1—S1—C11 | 19.90 (10) | Cd1—N1—C1—C6 | −8.9 (3) |
N1—Cd1—S1—C11 | −71.00 (10) | C1—N1—C2—C3 | 0.6 (4) |
N2—Cd1—S1—C11 | −98.47 (17) | Cd1—N1—C2—C3 | −175.0 (2) |
Cl1ii—Cd1—S1—C11 | 116.75 (8) | N1—C2—C3—C4 | 1.4 (4) |
Cl1—Cd1—S1—C11 | −159.74 (8) | C2—C3—C4—C5 | −1.6 (4) |
N3i—Cd1—N1—C2 | −76.3 (2) | C3—C4—C5—C1 | −0.1 (4) |
N2—Cd1—N1—C2 | −173.3 (2) | N1—C1—C5—C4 | 2.1 (4) |
Cl1ii—Cd1—N1—C2 | 166.96 (16) | C6—C1—C5—C4 | −175.3 (2) |
S1—Cd1—N1—C2 | 15.7 (2) | C7—N2—C6—C10 | 2.0 (3) |
Cl1—Cd1—N1—C2 | 99.0 (2) | Cd1—N2—C6—C10 | −170.08 (18) |
N3i—Cd1—N1—C1 | 108.05 (17) | C7—N2—C6—C1 | −175.1 (2) |
N2—Cd1—N1—C1 | 11.13 (15) | Cd1—N2—C6—C1 | 12.8 (3) |
Cl1ii—Cd1—N1—C1 | −8.7 (3) | N1—C1—C6—N2 | −2.6 (3) |
S1—Cd1—N1—C1 | −159.86 (16) | C5—C1—C6—N2 | 174.9 (2) |
Cl1—Cd1—N1—C1 | −76.61 (16) | N1—C1—C6—C10 | −179.7 (2) |
N3i—Cd1—N2—C7 | 87.6 (2) | C5—C1—C6—C10 | −2.2 (4) |
N1—Cd1—N2—C7 | 175.9 (2) | C6—N2—C7—C8 | −0.4 (4) |
Cl1ii—Cd1—N2—C7 | −9.48 (19) | Cd1—N2—C7—C8 | 171.1 (2) |
S1—Cd1—N2—C7 | −154.77 (15) | N2—C7—C8—C9 | −1.4 (4) |
Cl1—Cd1—N2—C7 | −94.10 (19) | C7—C8—C9—C10 | 1.6 (5) |
N3i—Cd1—N2—C6 | −100.87 (17) | C8—C9—C10—C6 | 0.0 (4) |
N1—Cd1—N2—C6 | −12.53 (16) | N2—C6—C10—C9 | −1.8 (4) |
Cl1ii—Cd1—N2—C6 | 162.10 (16) | C1—C6—C10—C9 | 175.2 (2) |
S1—Cd1—N2—C6 | 16.8 (3) |
Symmetry codes: (i) −x, −y+2, −z; (ii) −x, −y+1, −z. |
D—H···A | D—H | H···A | D···A | D—H···A |
C5—H5···S1iii | 0.93 | 2.90 | 3.785 (3) | 158 |
Symmetry code: (iii) x, y, z+1. |
Experimental details
Crystal data | |
Chemical formula | [CdCl(NCS)(C10H8N2)] |
Mr | 362.11 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 294 |
a, b, c (Å) | 8.0149 (7), 9.2527 (8), 9.5534 (8) |
α, β, γ (°) | 103.031 (1), 106.938 (1), 106.303 (1) |
V (Å3) | 612.98 (9) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 2.15 |
Crystal size (mm) | 0.32 × 0.26 × 0.20 |
Data collection | |
Diffractometer | Bruker APEXII CCD area-detector diffractometer |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.523, 0.724 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 3325, 2126, 2000 |
Rint | 0.016 |
(sin θ/λ)max (Å−1) | 0.595 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.018, 0.045, 1.04 |
No. of reflections | 2126 |
No. of parameters | 154 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.21, −0.50 |
Computer programs: APEX2 (Bruker, 2003), SAINT (Bruker, 2001), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), ORTEPIII (Burnett & Johnson, 1996), ORTEP-3 (Farrugia, 1997) and Diamond (Brandenburg, 2005), SHELXTL (Bruker, 2001).
Cd1—N3i | 2.319 (2) | Cd1—S1 | 2.6807 (7) |
Cd1—N1 | 2.3576 (19) | Cd1—Cl1 | 2.7498 (6) |
Cd1—N2 | 2.3592 (19) | S1—C11 | 1.651 (2) |
Cd1—Cl1ii | 2.5519 (6) | N3—C11 | 1.150 (3) |
N3i—Cd1—N1 | 90.77 (7) | N3i—Cd1—Cl1 | 175.34 (6) |
N3i—Cd1—N2 | 96.76 (7) | N1—Cd1—Cl1 | 89.18 (5) |
N1—Cd1—N2 | 69.92 (7) | N2—Cd1—Cl1 | 87.60 (5) |
N3i—Cd1—Cl1ii | 96.36 (6) | Cl1ii—Cd1—Cl1 | 84.858 (19) |
N1—Cd1—Cl1ii | 164.01 (5) | S1—Cd1—Cl1 | 83.32 (2) |
N2—Cd1—Cl1ii | 94.97 (5) | Cd1ii—Cl1—Cd1 | 95.142 (19) |
N3i—Cd1—S1 | 92.03 (6) | C11—S1—Cd1 | 102.74 (9) |
N1—Cd1—S1 | 93.69 (5) | C11—N3—Cd1i | 154.0 (2) |
N2—Cd1—S1 | 161.41 (5) | N3—C11—S1 | 178.0 (2) |
Cl1ii—Cd1—S1 | 100.31 (2) |
Symmetry codes: (i) −x, −y+2, −z; (ii) −x, −y+1, −z. |
D—H···A | D—H | H···A | D···A | D—H···A |
C5—H5···S1iii | 0.93 | 2.90 | 3.785 (3) | 158.3 |
Symmetry code: (iii) x, y, z+1. |
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Currently, metallosupramolecular crystalline architectures with the incorporation of the 2,2'-bipyridyl (bipy) ligand have attracted considerable research interest for their interesting structural features and physicochemical properties (Kaes et al., 2000; Ye et al., 2005, and references therein; Liu et al., 2006). With regard to the CdII species, quite a few coordination arrays with extended structures have been addressed, in which the metal centers are commonly connected by small anionic bridging ligands such as SCN- (Yang & Ng, 2004), Cl- (Zhou et al., 2003), CN- (Kim & Kim, 2000), N3- (Abu-Youssef, 2005), SO42- (Harvey et al., 2003), CH3COO- (Ye et al., 2000) and C2O42- (Xia et al., 2004), as well as various polycarboxylate linkers (Ye et al., 2005, and references therein). Within this family, two similar one-dimensional chain complexes with bis-chloride (Zhou et al., 2003) or bis-thiocyanate (Yang & Ng, 2004) bridges constitute a pair of interesting examples. In this context, we preesnt here a relevant CdII coordination polymer, [Cd(µ2-Cl)(µ2-SCN)(bipy)]n, (I), which shows an unusual chain array derived from alternate anionic bridges of chloride and thiocyanate ligands. Complex (I) was obtained by using a diffusion method; notably, a concomitant crystalline phase that has been confirmed to be a known mononuclear complex [Cd(SCN)2(bipy)2], (II) (Rodesiler et al., 1984), was also afforded.
X-ray structural analysis of (I) reveals a neutral polymeric coordination compound, in which each CdII center is surrounded by a pair of N-atom donors from bipy, a pair of chloride anions, and one N and one S donor atoms from two thiocyanate anions (Fig. 1) to constitute a distorted octahedral coordination (Table 1). The two Cd—Cl bond lengths differ significantly [2.750 (1) and 2.552 (1) Å], and the Cd—Nthiocyanate bond distance [2.319 (2) Å] is slightly shorter than the Cd—Npy bonds [2.358 (2) and 2.359 (2) Å]. The CdII ion lies 0.176 Å out of the least-square basal plane, N1/N2/Cl1B/S1. The bipy ligand forms a five-membered chelate ring with the CdII ion, and the resulting N—Cd—N bite angle is 69.92 (7)°. The N1—C1—C6—N2 torsion angle within the bipy ligand is -2.6 (3)°, and the two conjugated pyridyl rings make a dihedral angle of 8.5 (1)°.
Both the chloride and the thiocyanate anions act as bridging ligands, which connect metal centers to generate a one-dimensional infinite chain along the [010] direction (Fig. 1). Each linear thiocyanate ligand [S—C—N = 178.0 (2)°] adopts a bidentate µN,S linking mode, with a Cd···Cd separation of 5.936 (1) Å, which is significantly longer than the Cd···Cd separation [3.916 (1) Å] bridged by the chloride anion. Notably, polymeric complexes supported by two such anionic bridges are rare; a survey of the Cambridge Structural Database (CSD; Version 5.28; Allen, 2002) revealed only five hits (refcodes EQUHAZ, LOLWOY, LEMPIC, VEJREH and ZASLOU). The most fascinating structural feature of complex (I) is that the adjacent CdII ions in each chain are combined alternately by paired chloride and thiocyanate ligands, and so far only one such structural example has been observed in an inorganic [Hg(µ2-Cl)(µ2-SCN)(SCN)]- chain (CSD refcode ZASLOU).
Further analysis of the crystal packing of (I) reveals the existence of a weak C5—H5···S1 interaction between the pyridyl and thiocyanate ligands (Table 2). Such interchain contacts extend the one-dimensional coordination arrays to result in a hydrogen-bonded supramolecular layer along the (100) plane (Fig. 2). Moreover, these layers are stacked in a parallel fashion along [100] without significant interlayer interactions.