Tetra­kis(2,2′-bipyridine)-1κ4N,N′;4κ4N,N′-hexa-μ-iodido-1:2κ4I:I;2:3κ4I:I;3:4κ4I:I-1,4-dicadmium(II)-2,3-disilver(I)

Jiang, Y.-S.; Yao, H.-G.; Zou, L.-J.; An, Y.-L.

doi:10.1107/S1600536807052841

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Tetrakis(2,2′-bipyridine)-1κ⁴N,N′;4κ⁴N,N′-hexa-μ-iodido-1:2κ⁴I:I;2:3κ⁴I:I;3:4κ⁴I:I-1,4-dicadmium(II)-2,3-disilver(I)

Y.-S. Jiang, H.-G. Yao, L.-J. Zou and Y.-L. An

The centrosymmetric title compound, [Ag₂Cd₂I₆(C₁₀H₈N₂)₄], was synthesized by the reaction of CdI₂, KAgI₂ and 2,2′-bipyridine in dimethylformamide. The crystal structure contains an Ag₂I₆ chain and Cd(2,2′-bipyridine)₂ units; the four 2,2′-bipyridine ligands are positioned at the ends of the molecule and μ₂-iodo bridges link two Cd(2,2′-bipyridine)I₂Ag units. The Cd atom exhibits a distorted octahedral geometry.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807052841/kp2139sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536807052841/kp2139Isup2.hkl Contains datablock I

CCDC reference: 672575

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.013 Å
R factor = 0.044
wR factor = 0.121
Data-to-parameter ratio = 23.5

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  I1     -   Ag1     ..      37.21 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  I2     -   Ag1     ..      41.29 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  I3     -   Ag1     ..      22.41 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  I3     -   Ag1_a   ..      27.87 su
PLAT722_ALERT_1_B Angle   Calc      118.00, Rep      120.69 Dev...       2.69 Deg.
              H5A  -C5   -C4      1.555   1.555   1.555
PLAT722_ALERT_1_B Angle   Calc      118.00, Rep      120.71 Dev...       2.71 Deg.
              H5A  -C5   -N1      1.555   1.555   1.555
PLAT722_ALERT_1_B Angle   Calc      121.00, Rep      118.22 Dev...       2.78 Deg.
              H7A  -C7   -C6      1.555   1.555   1.555
PLAT722_ALERT_1_B Angle   Calc      121.00, Rep      118.28 Dev...       2.72 Deg.
              H7A  -C7   -C8      1.555   1.555   1.555
PLAT722_ALERT_1_B Angle   Calc      118.00, Rep      120.53 Dev...       2.53 Deg.
              H11A -C11  -N4      1.555   1.555   1.555
PLAT722_ALERT_1_B Angle   Calc      118.00, Rep      120.57 Dev...       2.57 Deg.
              H11A -C11  -C12     1.555   1.555   1.555
PLAT722_ALERT_1_B Angle   Calc      121.00, Rep      118.34 Dev...       2.66 Deg.
              H12A -C12  -C11     1.555   1.555   1.555
PLAT722_ALERT_1_B Angle   Calc      121.00, Rep      118.41 Dev...       2.59 Deg.
              H12A -C12  -C13     1.555   1.555   1.555

Alert level C
ABSTM02_ALERT_3_C  The ratio of Tmax/Tmin expected RT(exp) is > 1.10
            Absorption corrections should be applied.
            Tmin and Tmax expected:      0.386     0.442
            RT(exp) =      1.144
PLAT048_ALERT_1_C MoietyFormula Not Given ........................          ?
PLAT057_ALERT_3_C Correction for Absorption Required   RT(exp) ...       1.13
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  I1     -   Cd1     ..       8.32 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  I2     -   Cd1     ..       6.11 su
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C3
PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...         13
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........        H1A
                    C1     H1A
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........        H6A
                    C6     H6A
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........       H15A
                    C15    H15A
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........       H20A
                    C20    H20A
PLAT722_ALERT_1_C Angle   Calc      120.00, Rep      118.70 Dev...       1.30 Deg.
              H2A  -C2   -C1      1.555   1.555   1.555
PLAT722_ALERT_1_C Angle   Calc      120.00, Rep      118.67 Dev...       1.33 Deg.
              H3A  -C3   -C2      1.555   1.555   1.555
PLAT722_ALERT_1_C Angle   Calc      120.00, Rep      118.70 Dev...       1.30 Deg.
              H3A  -C3   -C4      1.555   1.555   1.555
PLAT722_ALERT_1_C Angle   Calc      120.00, Rep      118.67 Dev...       1.33 Deg.
              H13A -C13  -C12     1.555   1.555   1.555
PLAT722_ALERT_1_C Angle   Calc      120.00, Rep      118.70 Dev...       1.30 Deg.
              H13A -C13  -C14     1.555   1.555   1.555
PLAT722_ALERT_1_C Angle   Calc      119.00, Rep      120.69 Dev...       1.69 Deg.
              H16A -C16  -N3      1.555   1.555   1.555
PLAT722_ALERT_1_C Angle   Calc      119.00, Rep      120.71 Dev...       1.71 Deg.
              H16A -C16  -C17     1.555   1.555   1.555
PLAT722_ALERT_1_C Angle   Calc      120.00, Rep      118.22 Dev...       1.78 Deg.
              H17A -C17  -C16     1.555   1.555   1.555
PLAT722_ALERT_1_C Angle   Calc      120.00, Rep      118.28 Dev...       1.72 Deg.
              H17A -C17  -C18     1.555   1.555   1.555
PLAT722_ALERT_1_C Angle   Calc      120.00, Rep      118.38 Dev...       1.62 Deg.
              H18A -C18  -C17     1.555   1.555   1.555
PLAT722_ALERT_1_C Angle   Calc      120.00, Rep      118.39 Dev...       1.61 Deg.
              H18A -C18  -C19     1.555   1.555   1.555

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K
PLAT794_ALERT_5_G Check Predicted Bond Valency for Cd1         (2)       2.19

   0 ALERT level A = In general: serious problem
  12 ALERT level B = Potentially serious problem
  23 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

  26 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

Comment top

Divers and useful physcial properties as well as large structural varitey have prompted the recent surge in design and synthesis of new hybrid organic-inorganic materials.These materials have attracted much attention of chemists and physicists, not due to variety of intriguing structure topologies, but also for their potential application in catalysis, materials science, medicine, magntochemistry, and optical materials (Cheetham, 1994; Yaghi et al., 1998; Wu et al., 2003; Niu et al., 2004). Among the various families of hybrid functional materials, silver(I) halides occupy an important role (Li et al., 2006; Rutherford, 1998). Up to now the structure of silver(I) halides containing Ag₂I₄, Ag₃I₆, Ag₄I₆, and Ag₄I₈ anions exhibit isolated anions, one-dimensional infinite chains, two- and three-dimensional frameworks (Meyer, 1963; Estienne, 1986; Helgsson & Jagner, 1991; Jones, 1992). In this paper we report the synthesis and structure of a new one-dimensional organic-inorganic hybrid compound Ag₂I₆[Cd(2,2'-bipyridine)₂]₂.

The structure of the compound contains an one-dimensional Ag₂I₆ chain: the six iodide atoms acting as bridges between the silver atoms (Fig. 1). Ag atoms are in a tetraherdal arrangement where AgI₄ tetrahedra share all corners with the neighbouring metal atoms (Figs.1 and 2). The Ag—I distances range from 2.8036 (7)Å to 2.9058 (8) Å, while the Ag—I—Ag angle is 70.08 (2)°,and the I—Ag—I angles range from 95.96 (2)° to 118.40 (2)° (Table 1). In Ag₂I₆ the Ag···Ag separation is 3.2260 (11) Å. Cd(II) reveals a distorted octahedral geometry with two 2,2'-bipyridine ligands and two iodide atoms (Fig. 1). The Cd—I distances range from 2.8352 (6)Å to 2.9368 (6) Å, whereas Cd—N are in the range from 2.331 (5)Å to 2.407 (6) Å. The N—Cd—N angles range from 69.61 (17)° to 155.03 (18)°, I—Cd—I is 96.217 (17)°, and the N—Cd—I angles are from 86.86 (12)° to 171.04 (13)° (Table 1). Ag₂I₆ links adjacent Cd centres into the chains.

Related literature top

For related literature, see: Li et al. (2006); Cheetham (1994); Estienne (1986); Helgsson & Jagner (1991); Jones (1992); Meyer (1963); Niu et al. (2004); Rutherford (1998); Wu et al. (2003); Yaghi et al. (1998).

Experimental top

KAgI₂ was prepared by dropping excessive KI/DMF solution into AgNO₃/DMF solution.The title compound was synthesized by CdI₂(0.074 g) and 2,2'-bipyridine (0.015 g) dissolved in DMF (2.5 ml) followed by dropping the KAgI₂(4 ml) solution.The mixture was stirred for 2 m and then filtered off. The filtrate was kept at room temperature for five days and the deep-brown block crystals were obtained. Crystals were washed with ethanol and then with water.

Computing details top

Data collection: SMART; cell refinement: SMART; data reduction: SMART; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL (Sheldrick, 1997b).

Figures top

Fig. 1. The molecular structure of (I) with the atom-labelling scheme and displacement ellipsoids drawn at the 30% probability level. Symmetry codes: (i) -x + 2, -y, -z + 1. H atoms have been omitted.

Tetrakis(2,2-bipyridine)-1κ⁴N,N';4κ⁴N,N'- hexa-µ-iodido-1:2κ⁴I:I;2:3κ⁴I:I;3:4κ⁴I:I– 1,4-dicadmium(II)-2,3-disilver(I)(Ag—Ag) top

Crystal data top

[Ag₂Cd₂I₆(C₁₀H₈N₂)₄]	F(000) = 1672
M_r = 1826.68	D_x = 2.468 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
a = 8.9170 (6) Å	Cell parameters from 6188 reflections
b = 21.5098 (15) Å	θ = 2.5–26.3°
c = 12.8527 (9) Å	µ = 5.44 mm⁻¹
β = 94.374 (4)°	T = 293 K
V = 2458.0 (3) Å³	Block, brown
Z = 2	0.20 × 0.15 × 0.15 mm

Data collection top

Bruker SMART APEXII CCD diffractometer	4890 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.045
Graphite monochromator	θ_max = 28.5°, θ_min = 2.5°
ϕ and ω scans	h = −11→11
14678 measured reflections	k = −25→28
6188 independent reflections	l = −17→17

Refinement top

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)] = 0.044	H-atom parameters constrained
wR(F²) = 0.121	w = 1/[σ²(F_o²) + (0.0653P)² + 1.6703P] where P = (F_o² + 2F_c²)/3
S = 1.00	(Δ/σ)_max = 0.001
6188 reflections	Δρ_max = 1.19 e Å⁻³
263 parameters	Δρ_min = −1.02 e Å⁻³
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 1997), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0073 (3)

Crystal data top

[Ag₂Cd₂I₆(C₁₀H₈N₂)₄]	V = 2458.0 (3) Å³
M_r = 1826.68	Z = 2
Monoclinic, P2₁/n	Mo Kα radiation
a = 8.9170 (6) Å	µ = 5.44 mm⁻¹
b = 21.5098 (15) Å	T = 293 K
c = 12.8527 (9) Å	0.20 × 0.15 × 0.15 mm
β = 94.374 (4)°

Data collection top

Bruker SMART APEXII CCD diffractometer	4890 reflections with I > 2σ(I)
14678 measured reflections	R_int = 0.045
6188 independent reflections

Refinement top

R[F² > 2σ(F²)] = 0.044	0 restraints
wR(F²) = 0.121	H-atom parameters constrained
S = 1.00	Δρ_max = 1.19 e Å⁻³
6188 reflections	Δρ_min = −1.02 e Å⁻³
263 parameters

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

	x	y	z	U_iso*/U_eq
Cd1	0.82840 (5)	0.162316 (19)	0.20025 (3)	0.04285 (13)
I1	0.68673 (5)	0.04486 (2)	0.25574 (3)	0.06171 (15)
I2	0.98594 (5)	0.18259 (2)	0.39736 (3)	0.05907 (15)
I3	0.80925 (5)	0.01176 (2)	0.60922 (3)	0.05752 (15)
Ag1	0.92118 (7)	0.05126 (3)	0.42222 (4)	0.06661 (17)
N1	0.8859 (7)	0.2636 (3)	0.1342 (4)	0.0571 (13)
N2	0.6309 (6)	0.2308 (3)	0.2223 (4)	0.0583 (14)
N3	1.0127 (5)	0.1145 (2)	0.1076 (4)	0.0456 (11)
N4	0.7331 (6)	0.1421 (2)	0.0239 (4)	0.0494 (11)
C1	0.7836 (9)	0.3074 (3)	0.1394 (5)	0.0608 (18)
C2	0.8089 (12)	0.3669 (4)	0.1002 (7)	0.087 (3)
H2A	0.7350	0.3973	0.1027	0.104*
C3	0.9371 (15)	0.3803 (5)	0.0595 (9)	0.111 (4)
H3A	0.9542	0.4203	0.0354	0.134*
C4	1.0433 (14)	0.3358 (5)	0.0530 (8)	0.099 (3)
H4A	1.1337	0.3442	0.0243	0.118*
C5	1.0125 (10)	0.2774 (4)	0.0907 (6)	0.078 (2)
H5A	1.0838	0.2462	0.0854	0.094*
C6	0.6409 (8)	0.2892 (3)	0.1866 (5)	0.0616 (18)
C7	0.5247 (13)	0.3303 (5)	0.1890 (7)	0.095 (3)
H7A	0.5325	0.3705	0.1634	0.113*
C8	0.3968 (15)	0.3105 (6)	0.2302 (9)	0.108 (4)
H8A	0.3153	0.3374	0.2310	0.129*
C9	0.3850 (10)	0.2524 (7)	0.2702 (8)	0.106 (4)
H9A	0.2980	0.2396	0.2996	0.128*
C10	0.5080 (9)	0.2125 (5)	0.2658 (7)	0.080 (2)
H10A	0.5037	0.1727	0.2937	0.096*
C11	0.5951 (8)	0.1549 (4)	−0.0136 (5)	0.0624 (17)
H11A	0.5384	0.1823	0.0234	0.075*
C12	0.5298 (9)	0.1296 (4)	−0.1058 (6)	0.072 (2)
H12A	0.4315	0.1392	−0.1297	0.086*
C13	0.6148 (10)	0.0904 (4)	−0.1598 (5)	0.073 (2)
H13A	0.5751	0.0727	−0.2219	0.087*
C14	0.7597 (9)	0.0772 (4)	−0.1222 (5)	0.0649 (18)
H14A	0.8182	0.0499	−0.1579	0.078*
C15	0.8172 (7)	0.1048 (3)	−0.0312 (4)	0.0465 (13)
C16	1.1535 (7)	0.1061 (3)	0.1497 (6)	0.0584 (15)
H16A	1.1784	0.1189	0.2179	0.070*
C17	1.2614 (9)	0.0791 (4)	0.0943 (7)	0.071 (2)
H17A	1.3587	0.0741	0.1247	0.086*
C18	1.2264 (9)	0.0599 (4)	−0.0041 (7)	0.074 (2)
H18A	1.2998	0.0416	−0.0417	0.089*
C19	1.0838 (9)	0.0669 (3)	−0.0490 (6)	0.068 (2)
H19A	1.0582	0.0532	−0.1167	0.081*
C20	0.9763 (7)	0.0957 (3)	0.0103 (4)	0.0483 (13)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.0466 (2)	0.0396 (2)	0.0428 (2)	0.00666 (17)	0.00627 (16)	−0.00090 (15)
I2	0.0791 (3)	0.0469 (3)	0.0492 (2)	−0.0079 (2)	−0.00834 (19)	−0.00098 (16)
I3	0.0673 (3)	0.0548 (3)	0.0524 (2)	0.0105 (2)	0.01750 (19)	−0.00039 (17)
I1	0.0624 (3)	0.0576 (3)	0.0635 (3)	−0.0183 (2)	−0.0058 (2)	0.00984 (19)
Ag1	0.0715 (4)	0.0658 (4)	0.0631 (3)	0.0075 (3)	0.0083 (3)	0.0091 (2)
N3	0.048 (3)	0.041 (3)	0.050 (2)	0.006 (2)	0.016 (2)	0.0011 (19)
N4	0.058 (3)	0.048 (3)	0.043 (2)	0.002 (2)	0.006 (2)	0.005 (2)
N2	0.045 (3)	0.072 (4)	0.057 (3)	0.015 (3)	0.000 (2)	−0.011 (3)
N1	0.070 (3)	0.044 (3)	0.056 (3)	0.002 (3)	−0.004 (3)	0.002 (2)
C15	0.063 (4)	0.036 (3)	0.041 (2)	−0.011 (3)	0.010 (2)	0.002 (2)
C6	0.074 (4)	0.051 (4)	0.056 (3)	0.025 (3)	−0.017 (3)	−0.021 (3)
C20	0.059 (3)	0.037 (3)	0.052 (3)	−0.003 (3)	0.024 (3)	0.003 (2)
C1	0.084 (5)	0.037 (3)	0.056 (3)	0.008 (3)	−0.028 (3)	−0.004 (3)
C16	0.048 (3)	0.052 (4)	0.076 (4)	0.004 (3)	0.003 (3)	0.000 (3)
C14	0.083 (5)	0.066 (5)	0.047 (3)	−0.015 (4)	0.011 (3)	−0.001 (3)
C19	0.090 (6)	0.052 (4)	0.066 (4)	−0.001 (4)	0.037 (4)	−0.005 (3)
C11	0.063 (4)	0.064 (4)	0.059 (3)	−0.001 (3)	−0.004 (3)	0.007 (3)
C18	0.066 (5)	0.060 (5)	0.103 (6)	0.007 (4)	0.044 (4)	−0.003 (4)
C17	0.058 (4)	0.054 (4)	0.104 (6)	0.007 (3)	0.022 (4)	−0.003 (4)
C12	0.068 (4)	0.086 (6)	0.060 (4)	−0.029 (4)	−0.004 (3)	0.015 (4)
C5	0.084 (5)	0.071 (5)	0.082 (5)	−0.020 (4)	0.017 (4)	0.003 (4)
C13	0.098 (6)	0.077 (5)	0.043 (3)	−0.036 (5)	0.002 (4)	−0.002 (3)
C10	0.060 (4)	0.094 (7)	0.089 (5)	0.014 (4)	0.019 (4)	−0.018 (5)
C7	0.106 (7)	0.079 (6)	0.093 (6)	0.053 (6)	−0.027 (6)	−0.036 (5)
C2	0.104 (7)	0.039 (4)	0.107 (6)	0.011 (4)	−0.051 (6)	0.003 (4)
C9	0.054 (5)	0.160 (12)	0.107 (7)	0.014 (6)	0.018 (5)	−0.053 (8)
C8	0.114 (9)	0.102 (9)	0.106 (7)	0.049 (7)	0.007 (6)	−0.035 (6)
C3	0.129 (9)	0.072 (7)	0.124 (8)	−0.042 (7)	−0.056 (7)	0.032 (6)
C4	0.125 (9)	0.081 (7)	0.086 (6)	−0.036 (6)	−0.011 (6)	0.027 (5)

Geometric parameters (Å, º) top

Cd1—N1	2.407 (6)	C11—C12	1.391 (10)
Cd1—N2	2.331 (5)	C18—C17	1.344 (12)
Cd1—N3	2.339 (4)	C12—C13	1.359 (12)
Cd1—N4	2.399 (5)	C5—C4	1.381 (12)
Cd1—I2	2.8352 (6)	C10—C9	1.397 (12)
Cd1—I1	2.9368 (6)	C7—C8	1.362 (16)
I2—Ag1	2.9058 (8)	C2—C3	1.325 (15)
I3—Ag1	2.8036 (7)	C9—C8	1.358 (17)
I3—Ag1ⁱ	2.8155 (7)	C3—C4	1.353 (17)
I1—Ag1	2.8784 (7)	C1—H1A	0.930
Ag1—I3ⁱ	2.8155 (7)	C2—H2A	0.930
Ag1—Ag1ⁱ	3.2260 (11)	C3—H3A	0.930
N3—C20	1.332 (7)	C4—H4A	0.930
N3—C16	1.341 (8)	C5—H5A	0.930
N4—C11	1.317 (8)	C6—H6A	0.930
N4—C15	1.337 (8)	C7—H7A	0.930
N2—C10	1.328 (9)	C8—H8A	0.930
N2—C6	1.341 (9)	C9—H9A	0.930
N1—C1	1.316 (9)	C10—H10A	0.930
N1—C5	1.332 (9)	C11—H11A	0.930
C15—C14	1.376 (9)	C12—H12A	0.930
C15—C20	1.489 (9)	C13—H13A	0.930
C6—C7	1.365 (10)	C14—H14A	0.930
C6—C1	1.503 (11)	C15—H15A	0.930
C20—C19	1.412 (9)	C16—H16A	0.930
C1—C2	1.400 (11)	C17—H17A	0.930
C16—C17	1.369 (10)	C18—H18A	0.930
C14—C13	1.374 (11)	C19—H19A	0.930
C19—C18	1.364 (12)	C20—H20A	0.930

N2—Cd1—N3	155.03 (18)	N1—C1—C6	116.4 (6)
N2—Cd1—N4	90.75 (18)	C2—C1—C6	123.2 (7)
N3—Cd1—N4	69.61 (17)	N3—C16—C17	121.4 (7)
N2—Cd1—N1	69.7 (2)	C13—C14—C15	119.3 (7)
N3—Cd1—N1	92.37 (19)	C18—C19—C20	118.0 (7)
N4—Cd1—N1	84.32 (17)	N4—C11—C12	123.3 (8)
N2—Cd1—I2	96.99 (13)	C17—C18—C19	120.4 (7)
N3—Cd1—I2	101.70 (12)	C18—C17—C16	119.8 (8)
N4—Cd1—I2	171.04 (13)	C13—C12—C11	117.7 (8)
N1—Cd1—I2	94.10 (13)	N1—C5—C4	123.2 (10)
N2—Cd1—I1	99.88 (16)	C12—C13—C14	119.6 (6)
N3—Cd1—I1	94.44 (12)	N2—C10—C9	120.7 (10)
N4—Cd1—I1	86.86 (12)	C8—C7—C6	117.7 (11)
N1—Cd1—I1	166.23 (14)	C3—C2—C1	120.5 (9)
I2—Cd1—I1	96.217 (17)	C8—C9—C10	117.8 (10)
Cd1—I2—Ag1	81.934 (18)	C9—C8—C7	121.8 (10)
Ag1—I3—Ag1ⁱ	70.08 (2)	C2—C3—C4	119.9 (9)
Ag1—I1—Cd1	80.672 (18)	C3—C4—C5	117.6 (11)
I3—Ag1—I3ⁱ	109.92 (2)	H2A—C2—C1	118.70
I3—Ag1—I1	109.69 (2)	H2A—C2—C3	120.25
I3ⁱ—Ag1—I1	116.74 (2)	H3A—C3—C2	118.67
I3—Ag1—I2	118.40 (2)	H3A—C3—C4	118.70
I3ⁱ—Ag1—I2	105.86 (2)	H4A—C4—C3	120.25
I1—Ag1—I2	95.96 (2)	H4A—C4—C5	120.22
I3—Ag1—Ag1ⁱ	55.135 (19)	H5A—C5—C4	120.69
I3ⁱ—Ag1—Ag1ⁱ	54.790 (19)	H5A—C5—N1	120.71
I1—Ag1—Ag1ⁱ	133.27 (3)	H7A—C7—C6	118.22
I2—Ag1—Ag1ⁱ	130.68 (3)	H7A—C7—C8	118.28
C20—N3—C16	119.5 (5)	H8A—C8—C7	118.38
C20—N3—Cd1	118.8 (4)	H8A—C8—C9	118.39
C16—N3—Cd1	121.8 (4)	H9A—C9—C8	120.51
C11—N4—C15	118.6 (6)	H9A—C9—C10	120.52
C11—N4—Cd1	124.2 (4)	H10A—C10—C9	120.59
C15—N4—Cd1	115.9 (4)	H10A—C10—N2	120.64
C10—N2—C6	120.0 (7)	H11A—C11—N4	120.53
C10—N2—Cd1	121.3 (6)	H11A—C11—C12	120.57
C6—N2—Cd1	118.7 (5)	H12A—C12—C11	118.34
C1—N1—C5	118.3 (7)	H12A—C12—C13	118.41
C1—N1—Cd1	117.6 (5)	H13A—C13—C12	118.67
C5—N1—Cd1	124.1 (5)	H13A—C13—C14	118.70
N4—C15—C14	121.4 (6)	H14A—C14—C13	120.25
N4—C15—C20	116.5 (5)	H14A—C14—C15	120.22
C14—C15—C20	122.1 (6)	H16A—C16—N3	120.69
N2—C6—C7	121.9 (9)	H16A—C16—C17	120.71
N2—C6—C1	117.5 (5)	H17A—C17—C16	118.22
C7—C6—C1	120.5 (9)	H17A—C17—C18	118.28
N3—C20—C19	120.9 (6)	H18A—C18—C17	118.38
N3—C20—C15	117.0 (5)	H18A—C18—C19	118.39
C19—C20—C15	122.1 (6)	H19A—C19—C18	120.51
N1—C1—C2	120.3 (8)	H19A—C19—C20	120.52

Symmetry code: (i) −x+2, −y, −z+1.

Experimental details

Crystal data
Chemical formula	[Ag₂Cd₂I₆(C₁₀H₈N₂)₄]
M_r	1826.68
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	293
a, b, c (Å)	8.9170 (6), 21.5098 (15), 12.8527 (9)
β (°)	94.374 (4)
V (Å³)	2458.0 (3)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	5.44
Crystal size (mm)	0.20 × 0.15 × 0.15

Data collection
Diffractometer	Bruker SMART APEXII CCD diffractometer
Absorption correction	–
No. of measured, independent and observed [I > 2σ(I)] reflections	14678, 6188, 4890
R_int	0.045
(sin θ/λ)_max (Å⁻¹)	0.672

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.044, 0.121, 1.00
No. of reflections	6188
No. of parameters	263
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	1.19, −1.02

Computer programs: SMART, SHELXS97 (Sheldrick, 1997a), SHELXL97 (Sheldrick, 1997a), SHELXTL (Sheldrick, 1997b).

Selected geometric parameters (Å, º) top

Cd1—N1	2.407 (6)	Cd1—I1	2.9368 (6)
Cd1—N2	2.331 (5)	I2—Ag1	2.9058 (8)
Cd1—N3	2.339 (4)	I3—Ag1	2.8036 (7)
Cd1—N4	2.399 (5)	I1—Ag1	2.8784 (7)
Cd1—I2	2.8352 (6)	Ag1—Ag1ⁱ	3.2260 (11)

N2—Cd1—N3	155.03 (18)	N4—Cd1—I1	86.86 (12)
N2—Cd1—N4	90.75 (18)	I2—Cd1—I1	96.217 (17)
N3—Cd1—N4	69.61 (17)	Ag1—I3—Ag1ⁱ	70.08 (2)
N2—Cd1—N1	69.7 (2)	I3—Ag1—I1	109.69 (2)
N3—Cd1—N1	92.37 (19)	I3—Ag1—I2	118.40 (2)
N4—Cd1—N1	84.32 (17)	I1—Ag1—I2	95.96 (2)
N4—Cd1—I2	171.04 (13)

Symmetry code: (i) −x+2, −y, −z+1.

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