Di-μ-chlorido-bis­[bis­(ethyl­enediamine-κ2N,N′)cadmium(II)] dichloride

Näther, C.; Jess, I.

doi:10.1107/S1600536809054804

metal-organic compounds

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ISSN: 2056-9890

Volume 66| Part 1| January 2010| Page m98

doi:10.1107/S1600536809054804

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Di-μ-chlorido-bis[bis(ethylenediamine-κ²N,N′)cadmium(II)] dichloride

Christian Näther ^a ^* and Inke Jess ^a

^aInstitut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Olshausenstrasse 40, D-24098 Kiel, Germany
^*Correspondence e-mail: cnaether@ac.uni-kiel.de

(Received 10 December 2009; accepted 20 December 2009; online 24 December 2009)

The crystal structure of the title compound, [Cd₂Cl₂(C₂H₈N₂)₄]Cl₂, consists of binuclear centrosymmetric [Cd₂(C₂H₈N₂)₄Cl₂]²⁺ cations and discrete chloride anions. The Cd^II cation is coordinated by four N atoms of two ethylenediamine ligands and two symmetry-related chloride anions within a distorted CdN₄Cl₂ octahedron. Two Cd^II cations are connected by two chloride anions via μ₂-coordination, forming a four-membered Cd₂Cl₂ ring. The uncoordinated chloride anions are linked to the amino groups via N—H⋯Cl hydrogen bonding. Two C atoms of one of the two crystallographically independent ethylenediamine ligands are disordered and were refined using a split model [occupancy ratio 0.674 (9):0.326 (9)].

Related literature

For the general background to this work see: Bhosekar et al. (2006 ); Näther et al. (2007a ,b ). For related structures, see: Cannas et al. (1980 ); Marsh (1999 ); Pauly et al. (2000 ); Chen et al. (2005 ).

Experimental

Crystal data

[Cd₂Cl₂(C₂H₈N₂)₄]Cl₂
M_r = 607.02
Monoclinic, P 2₁ /n
a = 6.3869 (8) Å
b = 11.3143 (10) Å
c = 14.8255 (19) Å
β = 92.621 (13)°
V = 1070.2 (2) Å³
Z = 2
Mo Kα radiation
μ = 2.49 mm⁻¹
T = 293 K
0.3 × 0.2 × 0.2 mm

Data collection

Stoe IPDS-1 diffractometer
Absorption correction: numerical (X-SHAPE; Stoe & Cie, 1998 ) T_min = 0.576, T_max = 0.613
6562 measured reflections
3110 independent reflections
2699 reflections with I > 2σ(I)
R_int = 0.018

Refinement

R[F² > 2σ(F²)] = 0.018
wR(F²) = 0.047
S = 1.04
3110 reflections
120 parameters
H-atom parameters constrained
Δρ_max = 0.53 e Å⁻³
Δρ_min = −0.49 e Å⁻³

Table 1
Selected bond lengths (Å)

Cd1—N2	2.3268 (15)
Cd1—N3	2.3314 (15)
Cd1—N1	2.3513 (14)
Cd1—N4	2.3971 (16)
Cd1—Cl1ⁱ	2.6200 (5)
Cd1—Cl1	2.7078 (5)
Symmetry code: (i) -x+1, -y+1, -z+1.

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1N1⋯Cl2ⁱⁱ	0.90	2.73	3.6137 (15)	168
N1—H2N1⋯Cl2ⁱ	0.90	2.54	3.3941 (15)	159
N2—H2N2⋯Cl2ⁱⁱⁱ	0.90	2.42	3.3123 (15)	171
N3—H1N3⋯Cl1^iv	0.90	2.53	3.3581 (16)	154
N3—H2N3⋯Cl2	0.90	2.67	3.4919 (17)	152
N4—H3N4⋯Cl2ⁱⁱ	0.90	2.78	3.653 (2)	164
N4—H4N4⋯Cl2ⁱⁱⁱ	0.90	2.85	3.708 (2)	161
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) $[x-{\script{1\over 2}}, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ ; (iii) $[x+{\script{1\over 2}}, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ ; (iv) -x+2, -y+1, -z+1.

Data collection: DIF4 (Stoe & Cie, 1992 ); cell refinement: DIF4; data reduction: REDU4 (Stoe & Cie, 1992); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: XCIF in SHELXTL.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809054804/wm2291sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536809054804/wm2291Isup2.hkl

checkCIF report

Comment top

Recently, we became interested in the synthesis, structures and thermal behaviour of coordination polymers based on zinc(II) halides and N-donor ligands. We have found out that new ligand-deficient coordination polymers can simply be prepared by thermal decomposition of suitable ligand-rich precursor compounds (Bhosekar et al., 2006; Näther et al., 2007a,b). In related studies we started to investigate the properties of the heavier homologue cadmium. As a part of this project the crystal structure of the title compound, [Cd₂(C₂H₈N₂)₄Cl₂]Cl₂, was investigated.

In the crystal structure discrete [(C₂H₈N₂)₄Cd₂Cl₂]²⁺ cations are found which are located on centres of inversion. The structure contains additional chloride anions which are not connected to the cations and are located in general positions. In the complex cation the Cd²⁺ atoms are cis-coordinated by two symmetry related chloride anions and four N atoms of two crystallographically independent ethylenediamine ligands, leading to distorted CdN₄Cl₂ octahedra (Fig. 1 and Table 1). The Cd²⁺ atoms are linked by two symmetry-related chloride anions into a 4-membered centrosymmetric and planar Cd₂Cl₂ ring. This structural motif is known and found in some other Cd halide complexes (Cannas et al., 1980; Marsh, 1999; Pauly et al., 2000). Both Cd—Cl distances (Table 1) are different but comparable to those in the related compounds. The chloride anions that are not involved in Cd coordination are connected to the H atoms of the amino groups by N—H···Cl hydrogen bonding (Table 2).

Related literature top

For the general background to this work see: Bhosekar et al. (2006); Näther et al. (2007a,b). For related structures, see: Cannas et al. (1980); Marsh (1999); Pauly et al. (2000); Chen et al. (2005).

Experimental top

0.1833 g CdCl₂ (1 mmol) were reacted with 0.3005 g ethylenediamine (5 mmol) in a glass tube at room temperature. After three days colourless crystals of the title compound have formed as the minor phase in a mixture with the literature known compound tris(ethylenediamine-N,N')-cadmium(II) dichloride monohydrate (Chen et al., 2005).

Computing details top

Data collection: DIF4 (Stoe & Cie, 1992); cell refinement: DIF4 (Stoe & Cie, 1992); data reduction: REDU4 (Stoe & Cie, 1992); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: XCIF in SHELXTL (Sheldrick, 2008).

Figures top

Fig. 1. : Crystal structure of the title compound with labelling and displacement ellipsoids drawn at the 50% probability level. Symmetry code: i=-x + 1, -y + 1, -z + 1.

Di-µ-chlorido-bis[bis(ethylenediamine-κ²N,N')cadmium(II)] dichloride top

Crystal data top

[Cd₂Cl₂(C₂H₈N₂)₄]Cl₂	F(000) = 600
M_r = 607.02	D_x = 1.884 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 120 reflections
a = 6.3869 (8) Å	θ = 10–25°
b = 11.3143 (10) Å	µ = 2.49 mm⁻¹
c = 14.8255 (19) Å	T = 293 K
β = 92.621 (13)°	Block, colourless
V = 1070.2 (2) Å³	0.3 × 0.2 × 0.2 mm
Z = 2

Data collection top

Stoe IPDS-1 diffractometer	3110 independent reflections
Radiation source: fine-focus sealed tube	2699 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.018
ϕ scan	θ_max = 30.0°, θ_min = 2.3°
Absorption correction: numerical (X-SHAPE; Stoe & Cie, 1998)	h = 0→8
T_min = 0.576, T_max = 0.613	k = −15→15
6562 measured reflections	l = −20→20

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)] = 0.018	H-atom parameters constrained
wR(F²) = 0.047	w = 1/[σ²(F_o²) + (0.0256P)² + 0.1639P] where P = (F_o² + 2F_c²)/3
S = 1.04	(Δ/σ)_max = 0.002
3110 reflections	Δρ_max = 0.53 e Å⁻³
120 parameters	Δρ_min = −0.49 e Å⁻³
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0088 (4)

Crystal data top

[Cd₂Cl₂(C₂H₈N₂)₄]Cl₂	V = 1070.2 (2) Å³
M_r = 607.02	Z = 2
Monoclinic, P2₁/n	Mo Kα radiation
a = 6.3869 (8) Å	µ = 2.49 mm⁻¹
b = 11.3143 (10) Å	T = 293 K
c = 14.8255 (19) Å	0.3 × 0.2 × 0.2 mm
β = 92.621 (13)°

Data collection top

Stoe IPDS-1 diffractometer	3110 independent reflections
Absorption correction: numerical (X-SHAPE; Stoe & Cie, 1998)	2699 reflections with I > 2σ(I)
T_min = 0.576, T_max = 0.613	R_int = 0.018
6562 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.018	0 restraints
wR(F²) = 0.047	H-atom parameters constrained
S = 1.04	Δρ_max = 0.53 e Å⁻³
3110 reflections	Δρ_min = −0.49 e Å⁻³
120 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	Occ. (<1)
Cd1	0.658581 (17)	0.626379 (10)	0.561674 (7)	0.03352 (5)
Cl1	0.70739 (6)	0.39404 (4)	0.52416 (3)	0.04109 (9)
Cl2	0.67265 (8)	0.63867 (4)	0.20632 (4)	0.05032 (11)
N1	0.5276 (2)	0.61258 (13)	0.70697 (10)	0.0382 (3)
H1N1	0.4337	0.6703	0.7155	0.046*
H2N1	0.4645	0.5423	0.7142	0.046*
C1	0.7084 (3)	0.62488 (17)	0.77133 (11)	0.0475 (4)
H1A	0.6709	0.5970	0.8303	0.057*
H1B	0.7471	0.7076	0.7768	0.057*
C2	0.8923 (3)	0.55455 (18)	0.73977 (13)	0.0491 (4)
H2A	1.0072	0.5586	0.7848	0.059*
H2B	0.8523	0.4723	0.7322	0.059*
N2	0.9601 (2)	0.60183 (13)	0.65389 (10)	0.0394 (3)
H1N2	1.0487	0.5512	0.6284	0.047*
H2N2	1.0259	0.6715	0.6627	0.047*
N3	0.8018 (2)	0.70351 (15)	0.43233 (10)	0.0447 (3)
H1N3	0.9427	0.7019	0.4377	0.054*	0.326 (9)
H2N3	0.7598	0.6610	0.3835	0.054*	0.326 (9)
H3N3	0.9223	0.6660	0.4214	0.054*	0.674 (9)
H4N3	0.7121	0.6933	0.3844	0.054*	0.674 (9)
C3	0.7267 (15)	0.8259 (6)	0.4236 (4)	0.0468 (19)	0.326 (9)
H3C	0.7886	0.8641	0.3726	0.056*	0.326 (9)
H3D	0.5754	0.8271	0.4139	0.056*	0.326 (9)
C4	0.7884 (17)	0.8874 (6)	0.5075 (5)	0.054 (2)	0.326 (9)
H4C	0.7632	0.9716	0.5009	0.065*	0.326 (9)
H4D	0.9365	0.8753	0.5221	0.065*	0.326 (9)
C3'	0.8423 (7)	0.8322 (3)	0.4474 (3)	0.0536 (10)	0.674 (9)
H3A	0.8603	0.8708	0.3899	0.064*	0.674 (9)
H3B	0.9708	0.8421	0.4841	0.064*	0.674 (9)
C4'	0.6641 (8)	0.8893 (3)	0.4939 (3)	0.0557 (10)	0.674 (9)
H4A	0.6870	0.9738	0.4989	0.067*	0.674 (9)
H4B	0.5333	0.8760	0.4595	0.067*	0.674 (9)
N4	0.6547 (3)	0.83613 (14)	0.58432 (12)	0.0531 (4)
H1N4	0.5228	0.8642	0.5798	0.064*	0.326 (9)
H2N4	0.7120	0.8550	0.6390	0.064*	0.326 (9)
H3N4	0.5368	0.8583	0.6107	0.064*	0.674 (9)
H4N4	0.7658	0.8588	0.6197	0.064*	0.674 (9)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.03410 (7)	0.03660 (7)	0.02973 (6)	−0.00457 (4)	0.00013 (4)	−0.00078 (4)
Cl1	0.02885 (16)	0.04039 (19)	0.0533 (2)	0.00407 (14)	−0.00646 (15)	−0.01037 (16)
Cl2	0.0504 (2)	0.0410 (2)	0.0597 (3)	0.00376 (17)	0.0042 (2)	0.01005 (18)
N1	0.0337 (6)	0.0439 (7)	0.0374 (6)	−0.0007 (5)	0.0052 (5)	0.0035 (5)
C1	0.0458 (9)	0.0665 (12)	0.0302 (7)	0.0017 (8)	0.0017 (6)	−0.0002 (7)
C2	0.0439 (9)	0.0571 (10)	0.0455 (9)	0.0089 (8)	−0.0067 (7)	0.0085 (8)
N2	0.0303 (6)	0.0422 (7)	0.0458 (7)	0.0000 (5)	0.0008 (5)	−0.0061 (6)
N3	0.0360 (7)	0.0607 (9)	0.0378 (7)	0.0050 (6)	0.0062 (5)	0.0027 (6)
C3	0.045 (4)	0.051 (3)	0.044 (3)	−0.003 (3)	0.002 (3)	0.019 (2)
C4	0.063 (5)	0.038 (3)	0.062 (4)	−0.008 (3)	0.008 (4)	0.013 (3)
C3'	0.047 (2)	0.0619 (19)	0.0529 (19)	−0.0065 (14)	0.0122 (16)	0.0177 (14)
C4'	0.059 (3)	0.0456 (15)	0.063 (2)	0.0064 (15)	0.0113 (17)	0.0172 (13)
N4	0.0788 (12)	0.0383 (7)	0.0430 (8)	0.0001 (8)	0.0106 (8)	−0.0019 (7)

Geometric parameters (Å, º) top

Cd1—N2	2.3268 (15)	N3—H1N3	0.9000
Cd1—N3	2.3314 (15)	N3—H2N3	0.9000
Cd1—N1	2.3513 (14)	N3—H3N3	0.9000
Cd1—N4	2.3971 (16)	N3—H4N3	0.9000
Cd1—Cl1ⁱ	2.6200 (5)	C3—C4	1.464 (12)
Cd1—Cl1	2.7078 (5)	C3—H3C	0.9700
Cl1—Cd1ⁱ	2.6200 (5)	C3—H3D	0.9700
N1—C1	1.471 (2)	C4—N4	1.566 (7)
N1—H1N1	0.9000	C4—H4C	0.9700
N1—H2N1	0.9000	C4—H4D	0.9700
C1—C2	1.511 (3)	C3'—C4'	1.503 (6)
C1—H1A	0.9700	C3'—H3A	0.9700
C1—H1B	0.9700	C3'—H3B	0.9700
C2—N2	1.465 (2)	C4'—N4	1.473 (4)
C2—H2A	0.9700	C4'—H4A	0.9700
C2—H2B	0.9700	C4'—H4B	0.9700
N2—H1N2	0.9000	N4—H1N4	0.9000
N2—H2N2	0.9000	N4—H2N4	0.9000
N3—C3	1.469 (7)	N4—H3N4	0.9000
N3—C3'	1.494 (4)	N4—H4N4	0.9000

N2—Cd1—N3	100.53 (6)	H1N3—N3—H3N3	31.4
N2—Cd1—N1	76.90 (5)	H2N3—N3—H3N3	80.1
N3—Cd1—N1	161.39 (5)	C3—N3—H4N3	81.8
N2—Cd1—N4	92.83 (6)	C3'—N3—H4N3	110.0
N3—Cd1—N4	75.61 (6)	Cd1—N3—H4N3	110.0
N1—Cd1—N4	86.05 (5)	H1N3—N3—H4N3	131.6
N2—Cd1—Cl1ⁱ	166.14 (4)	H2N3—N3—H4N3	30.7
N3—Cd1—Cl1ⁱ	90.48 (4)	H3N3—N3—H4N3	108.4
N1—Cd1—Cl1ⁱ	95.29 (4)	C4—C3—N3	107.4 (7)
N4—Cd1—Cl1ⁱ	98.09 (5)	C4—C3—H3C	110.2
N2—Cd1—Cl1	84.54 (4)	N3—C3—H3C	110.2
N3—Cd1—Cl1	98.12 (4)	C4—C3—H3D	110.2
N1—Cd1—Cl1	99.95 (4)	N3—C3—H3D	110.2
N4—Cd1—Cl1	172.69 (5)	H3C—C3—H3D	108.5
Cl1ⁱ—Cd1—Cl1	85.593 (13)	C3—C4—N4	107.9 (6)
Cd1ⁱ—Cl1—Cd1	94.407 (13)	C3—C4—H4C	110.1
C1—N1—Cd1	106.64 (10)	N4—C4—H4C	110.1
C1—N1—H1N1	110.4	C3—C4—H4D	110.1
Cd1—N1—H1N1	110.4	N4—C4—H4D	110.1
C1—N1—H2N1	110.4	H4C—C4—H4D	108.4
Cd1—N1—H2N1	110.4	N3—C3'—C4'	111.0 (3)
H1N1—N1—H2N1	108.6	N3—C3'—H3A	109.4
N1—C1—C2	110.35 (15)	C4'—C3'—H3A	109.4
N1—C1—H1A	109.6	N3—C3'—H3B	109.4
C2—C1—H1A	109.6	C4'—C3'—H3B	109.4
N1—C1—H1B	109.6	H3A—C3'—H3B	108.0
C2—C1—H1B	109.6	N4—C4'—C3'	107.7 (3)
H1A—C1—H1B	108.1	N4—C4'—H4A	110.2
N2—C2—C1	109.99 (14)	C3'—C4'—H4A	110.2
N2—C2—H2A	109.7	N4—C4'—H4B	110.2
C1—C2—H2A	109.7	C3'—C4'—H4B	110.2
N2—C2—H2B	109.7	H4A—C4'—H4B	108.5
C1—C2—H2B	109.7	C4'—N4—C4	30.7 (3)
H2A—C2—H2B	108.2	C4'—N4—Cd1	106.00 (17)
C2—N2—Cd1	106.55 (10)	C4—N4—Cd1	104.8 (3)
C2—N2—H1N2	110.4	C4'—N4—H1N4	82.3
Cd1—N2—H1N2	110.4	C4—N4—H1N4	110.8
C2—N2—H2N2	110.4	Cd1—N4—H1N4	110.8
Cd1—N2—H2N2	110.4	C4'—N4—H2N4	133.7
H1N2—N2—H2N2	108.6	C4—N4—H2N4	110.8
C3—N3—C3'	31.6 (3)	Cd1—N4—H2N4	110.8
C3—N3—Cd1	106.7 (2)	H1N4—N4—H2N4	108.9
C3'—N3—Cd1	108.26 (14)	C4'—N4—H3N4	110.5
C3—N3—H1N3	110.4	C4—N4—H3N4	135.0
C3'—N3—H1N3	80.9	Cd1—N4—H3N4	110.5
Cd1—N3—H1N3	110.4	H1N4—N4—H3N4	30.0
C3—N3—H2N3	110.4	H2N4—N4—H3N4	81.8
C3'—N3—H2N3	133.2	C4'—N4—H4N4	110.5
Cd1—N3—H2N3	110.4	C4—N4—H4N4	83.0
H1N3—N3—H2N3	108.6	Cd1—N4—H4N4	110.5
C3—N3—H3N3	135.0	H1N4—N4—H4N4	130.7
C3'—N3—H3N3	110.0	H2N4—N4—H4N4	29.5
Cd1—N3—H3N3	110.0	H3N4—N4—H4N4	108.7

Symmetry code: (i) −x+1, −y+1, −z+1.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1N1···Cl2ⁱⁱ	0.90	2.73	3.6137 (15)	168
N1—H2N1···Cl2ⁱ	0.90	2.54	3.3941 (15)	159
N2—H2N2···Cl2ⁱⁱⁱ	0.90	2.42	3.3123 (15)	171
N3—H1N3···Cl1^iv	0.90	2.53	3.3581 (16)	154
N3—H2N3···Cl2	0.90	2.67	3.4919 (17)	152
N4—H3N4···Cl2ⁱⁱ	0.90	2.78	3.653 (2)	164
N4—H4N4···Cl2ⁱⁱⁱ	0.90	2.85	3.708 (2)	161

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

Experimental details

Crystal data
Chemical formula	[Cd₂Cl₂(C₂H₈N₂)₄]Cl₂
M_r	607.02
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	293
a, b, c (Å)	6.3869 (8), 11.3143 (10), 14.8255 (19)
β (°)	92.621 (13)
V (Å³)	1070.2 (2)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	2.49
Crystal size (mm)	0.3 × 0.2 × 0.2

Data collection
Diffractometer	Stoe IPDS1 diffractometer
Absorption correction	Numerical (X-SHAPE; Stoe & Cie, 1998)
T_min, T_max	0.576, 0.613
No. of measured, independent and observed [I > 2σ(I)] reflections	6562, 3110, 2699
R_int	0.018
(sin θ/λ)_max (Å⁻¹)	0.704

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.018, 0.047, 1.04
No. of reflections	3110
No. of parameters	120
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.53, −0.49

Computer programs: DIF4 (Stoe & Cie, 1992), REDU4 (Stoe & Cie, 1992), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), XP in SHELXTL (Sheldrick, 2008), XCIF in SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top

Cd1—N2	2.3268 (15)	Cd1—N4	2.3971 (16)
Cd1—N3	2.3314 (15)	Cd1—Cl1ⁱ	2.6200 (5)
Cd1—N1	2.3513 (14)	Cd1—Cl1	2.7078 (5)

Symmetry code: (i) −x+1, −y+1, −z+1.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1N1···Cl2ⁱⁱ	0.90	2.73	3.6137 (15)	167.8
N1—H2N1···Cl2ⁱ	0.90	2.54	3.3941 (15)	159.1
N2—H2N2···Cl2ⁱⁱⁱ	0.90	2.42	3.3123 (15)	171.4
N3—H1N3···Cl1^iv	0.90	2.53	3.3581 (16)	154.1
N3—H2N3···Cl2	0.90	2.67	3.4919 (17)	152.0
N4—H3N4···Cl2ⁱⁱ	0.90	2.78	3.653 (2)	164.1
N4—H4N4···Cl2ⁱⁱⁱ	0.90	2.85	3.708 (2)	160.9

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

Acknowledgements

This work was supported by the state of Schleswig-Holstein and the Deutsche Forschungsgemeinschaft (Projekt No. NA 720/1–1). We thank Professor Dr Wolfgang Bensch for the facility to use his experimental equipment.

References

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