Di-μ-acetato-κO,O':O;κO:O,O'-bis-[(acetato-κO,O')(1,10-phenan-throline-κN,N')cadmium(II)].

The title compound, [Cd(2)(C(2)H(3)O(2))(4)(C(12)H(8)N(2))(2)], consists of dimeric units built up around a crystallographic symmetry centre. Each cadmium(II) unit is chelated by a 1,10-phenanthroline (phen) group and two acetate ligands, one of which also acts as a bridge, linking both seven-coordinated cadmium(II) centres. The crystal structure is governed by a single π-π inter-action between stacked phen groups [centroid-centroid distance 3.5209 (11) Å], leading to a planar structure parallel to (010).

Related literature

For related literature, see: Brown & Altermatt (1985 ▶); Janiak (2000 ▶); Harvey et al. (2006 ▶).

Experimental

Crystal data

[Cd2(C2H3O2)4(C12H8N2)2]

M = 821.40

Orthorhombic,

a = 8.4422 (7) Å

b = 15.6384 (13) Å

c = 22.2195 (18) Å

V = 2933.5 (4) Å3

Z = 4

Mo Kα radiation

μ = 1.51 mm−1

T = 150 (2) K

0.50 × 0.40 × 0.20 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2001 ▶) T min = 0.50, T max = 0.74

22676 measured reflections

3331 independent reflections

3062 reflections with I > 2σ(I)

R int = 0.020

Refinement

R[F 2 > 2σ(F 2)] = 0.024

wR(F 2) = 0.064

S = 1.06

3331 reflections

210 parameters

H-atom parameters constrained

Δρmax = 1.58 e Å−3

Δρmin = −0.40 e Å−3

Data collection: SMART (Bruker, 2001 ▶); cell refinement: SAINT (Bruker, 2001 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL and PLATON (Spek, 2003 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808029462/kj2097sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808029462/kj2097Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Cd2(C2H3O2)4(C12H8N2)2]	F(000) = 1632
Mr = 821.40	Dx = 1.860 Mg m−3
Orthorhombic, Pbca	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2ab	Cell parameters from 11288 reflections
a = 8.4422 (7) Å	θ = 2.7–27.8°
b = 15.6384 (13) Å	µ = 1.51 mm−1
c = 22.2195 (18) Å	T = 150 K
V = 2933.5 (4) Å3	Block, colourless
Z = 4	0.50 × 0.40 × 0.20 mm

Bruker SMART CCD area-detector diffractometer	3331 independent reflections
Radiation source: fine-focus sealed tube	3062 reflections with I > 2σ(I)
graphite	Rint = 0.020
φ and ω scans	θmax = 27.9°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 2001)	h = −10→11
Tmin = 0.50, Tmax = 0.74	k = −19→20
22676 measured reflections	l = −28→27

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)] = 0.024	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.064	H-atom parameters constrained
S = 1.06	w = 1/[σ2(Fo2) + (0.0401P)2 + 1.4472P] where P = (Fo2 + 2Fc2)/3
3331 reflections	(Δ/σ)max = 0.003
210 parameters	Δρmax = 1.58 e Å−3
0 restraints	Δρmin = −0.40 e Å−3

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

	x	y	z	Uiso*/Ueq
Cd1	1.020491 (17)	0.537614 (8)	0.417981 (6)	0.01764 (7)
N1	0.88137 (18)	0.41531 (9)	0.38716 (7)	0.0202 (3)
N2	1.02282 (19)	0.52821 (10)	0.31067 (8)	0.0216 (4)
C1	0.8037 (2)	0.36453 (13)	0.42461 (9)	0.0235 (4)
H1	0.8129	0.3746	0.4666	0.028*
C2	0.7084 (2)	0.29656 (12)	0.40510 (9)	0.0254 (4)
H2	0.6519	0.2626	0.4333	0.030*
C3	0.6983 (2)	0.28003 (12)	0.34466 (9)	0.0262 (4)
H3	0.6364	0.2334	0.3305	0.031*
C4	0.7800 (2)	0.33252 (12)	0.30367 (9)	0.0239 (4)
C5	0.7738 (2)	0.32032 (14)	0.23972 (9)	0.0302 (4)
H5	0.7160	0.2734	0.2238	0.036*
C6	0.8487 (3)	0.37424 (14)	0.20153 (9)	0.0312 (5)
H6	0.8441	0.3641	0.1594	0.037*
C7	0.9354 (2)	0.44695 (13)	0.22400 (9)	0.0256 (4)
C8	1.0118 (2)	0.50644 (16)	0.18593 (10)	0.0294 (5)
H8	1.0089	0.4993	0.1435	0.035*
C9	1.0896 (3)	0.57412 (14)	0.21075 (9)	0.0308 (4)
H9	1.1416	0.6147	0.1858	0.037*
C10	1.0919 (2)	0.58316 (13)	0.27331 (9)	0.0273 (4)
H10	1.1455	0.6310	0.2900	0.033*
C11	0.9455 (2)	0.46042 (11)	0.28630 (9)	0.0209 (4)
C12	0.8686 (2)	0.40117 (11)	0.32713 (8)	0.0199 (4)
C13	1.2479 (2)	0.66285 (12)	0.41072 (8)	0.0207 (4)
C23	1.3877 (3)	0.72303 (14)	0.40927 (9)	0.0286 (4)
H23A	1.3759	0.7629	0.3755	0.043*
H23B	1.4855	0.6901	0.4043	0.043*
H23C	1.3923	0.7552	0.4471	0.043*
O13	1.27330 (18)	0.58473 (9)	0.42176 (6)	0.0282 (3)
O23	1.11146 (17)	0.69086 (10)	0.40168 (8)	0.0354 (3)
C14	0.7547 (2)	0.58393 (11)	0.48087 (8)	0.0192 (3)
C24	0.6115 (2)	0.59980 (13)	0.51958 (9)	0.0252 (4)
H24A	0.6170	0.6576	0.5365	0.038*
H24B	0.6088	0.5579	0.5523	0.038*
H24C	0.5155	0.5943	0.4951	0.038*
O14	0.88527 (15)	0.56447 (8)	0.50710 (6)	0.0229 (3)
O24	0.74741 (18)	0.59082 (9)	0.42510 (6)	0.0247 (3)

	U11	U22	U33	U12	U13	U23
Cd1	0.01769 (10)	0.01872 (10)	0.01652 (10)	−0.00151 (4)	−0.00046 (4)	−0.00019 (4)
N1	0.0207 (7)	0.0190 (7)	0.0210 (7)	0.0005 (6)	−0.0011 (6)	−0.0009 (6)
N2	0.0212 (9)	0.0241 (8)	0.0196 (8)	−0.0004 (6)	0.0005 (6)	−0.0009 (6)
C1	0.0231 (10)	0.0235 (10)	0.0238 (9)	0.0010 (8)	−0.0003 (7)	0.0000 (7)
C2	0.0223 (9)	0.0189 (9)	0.0350 (10)	−0.0002 (7)	0.0037 (8)	0.0016 (8)
C3	0.0209 (9)	0.0206 (9)	0.0372 (11)	−0.0006 (7)	−0.0017 (8)	−0.0047 (8)
C4	0.0205 (9)	0.0224 (9)	0.0290 (10)	0.0038 (7)	−0.0037 (7)	−0.0060 (7)
C5	0.0285 (10)	0.0310 (11)	0.0310 (10)	−0.0005 (8)	−0.0076 (8)	−0.0124 (9)
C6	0.0326 (11)	0.0398 (12)	0.0213 (9)	0.0053 (9)	−0.0055 (8)	−0.0101 (8)
C7	0.0231 (10)	0.0318 (10)	0.0220 (9)	0.0070 (8)	−0.0013 (8)	−0.0021 (8)
C8	0.0299 (11)	0.0401 (13)	0.0180 (9)	0.0071 (9)	0.0009 (7)	0.0013 (9)
C9	0.0321 (11)	0.0364 (12)	0.0240 (10)	0.0012 (9)	0.0056 (8)	0.0074 (8)
C10	0.0273 (10)	0.0292 (10)	0.0255 (10)	−0.0034 (8)	0.0028 (8)	0.0029 (8)
C11	0.0168 (9)	0.0213 (9)	0.0248 (10)	0.0044 (7)	−0.0034 (8)	−0.0024 (7)
C12	0.0169 (8)	0.0213 (9)	0.0217 (9)	0.0032 (7)	−0.0018 (7)	−0.0028 (7)
C13	0.0198 (9)	0.0245 (10)	0.0179 (8)	−0.0030 (8)	0.0003 (7)	−0.0008 (7)
C23	0.0239 (10)	0.0263 (10)	0.0355 (11)	−0.0050 (8)	−0.0032 (8)	0.0055 (8)
O13	0.0225 (7)	0.0234 (7)	0.0387 (8)	−0.0037 (6)	−0.0055 (6)	0.0065 (6)
O23	0.0200 (7)	0.0277 (8)	0.0584 (10)	0.0019 (6)	−0.0047 (7)	−0.0034 (7)
C14	0.0204 (8)	0.0138 (8)	0.0233 (9)	−0.0002 (6)	−0.0008 (7)	0.0005 (7)
C24	0.0228 (9)	0.0286 (10)	0.0243 (9)	0.0047 (8)	0.0014 (7)	0.0004 (8)
O14	0.0195 (6)	0.0261 (7)	0.0229 (6)	0.0029 (5)	−0.0011 (5)	0.0022 (5)
O24	0.0248 (7)	0.0291 (7)	0.0201 (6)	0.0023 (6)	−0.0005 (5)	0.0011 (5)

Cd1—O13	2.2594 (15)	C6—H6	0.9500
Cd1—O14	2.3239 (13)	C7—C11	1.403 (3)
Cd1—N1	2.3466 (15)	C7—C8	1.413 (3)
Cd1—N2	2.3890 (18)	C8—C9	1.362 (3)
Cd1—O14i	2.4398 (13)	C8—H8	0.9500
Cd1—O24	2.4561 (15)	C9—C10	1.397 (3)
Cd1—O23	2.5425 (16)	C9—H9	0.9500
N1—C1	1.324 (2)	C10—H10	0.9500
N1—C12	1.356 (2)	C11—C12	1.450 (3)
N2—C10	1.329 (3)	C13—O23	1.248 (2)
N2—C11	1.358 (2)	C13—O13	1.265 (2)
C1—C2	1.402 (3)	C13—C23	1.510 (3)
C1—H1	0.9500	C23—H23A	0.9800
C2—C3	1.370 (3)	C23—H23B	0.9800
C2—H2	0.9500	C23—H23C	0.9800
C3—C4	1.407 (3)	C14—O24	1.246 (2)
C3—H3	0.9500	C14—O14	1.283 (2)
C4—C12	1.409 (3)	C14—C24	1.504 (2)
C4—C5	1.435 (3)	C24—H24A	0.9800
C5—C6	1.353 (3)	C24—H24B	0.9800
C5—H5	0.9500	C24—H24C	0.9800
C6—C7	1.442 (3)	O14—Cd1i	2.4398 (13)
O13—Cd1—O14	111.92 (5)	C8—C7—C6	122.93 (19)
O13—Cd1—N1	138.54 (5)	C9—C8—C7	119.28 (19)
O14—Cd1—N1	98.64 (5)	C9—C8—H8	120.4
O13—Cd1—N2	92.83 (5)	C7—C8—H8	120.4
O14—Cd1—N2	149.95 (5)	C8—C9—C10	119.21 (19)
N1—Cd1—N2	70.28 (5)	C8—C9—H9	120.4
O13—Cd1—O14i	83.11 (5)	C10—C9—H9	120.4
O14—Cd1—O14i	72.37 (5)	N2—C10—C9	123.3 (2)
N1—Cd1—O14i	80.16 (5)	N2—C10—H10	118.3
N2—Cd1—O14i	129.64 (5)	C9—C10—H10	118.3
O13—Cd1—O24	140.70 (6)	N2—C11—C7	122.70 (19)
O14—Cd1—O24	54.75 (4)	N2—C11—C12	117.68 (18)
N1—Cd1—O24	79.93 (5)	C7—C11—C12	119.61 (17)
N2—Cd1—O24	95.33 (5)	N1—C12—C4	122.03 (17)
O14i—Cd1—O24	118.94 (4)	N1—C12—C11	118.39 (16)
O13—Cd1—O23	54.03 (5)	C4—C12—C11	119.55 (17)
O14—Cd1—O23	95.70 (5)	O23—C13—O13	121.80 (18)
N1—Cd1—O23	151.38 (5)	O23—C13—C23	119.94 (18)
N2—Cd1—O23	85.03 (6)	O13—C13—C23	118.26 (18)
O14i—Cd1—O23	127.99 (5)	O23—C13—Cd1	67.36 (11)
O24—Cd1—O23	88.47 (5)	O13—C13—Cd1	54.44 (10)
C1—N1—C12	118.75 (16)	C23—C13—Cd1	172.67 (14)
C1—N1—Cd1	123.59 (13)	C13—C23—H23A	109.5
C12—N1—Cd1	117.36 (12)	C13—C23—H23B	109.5
C10—N2—C11	117.80 (18)	H23A—C23—H23B	109.5
C10—N2—Cd1	125.95 (13)	C13—C23—H23C	109.5
C11—N2—Cd1	116.25 (13)	H23A—C23—H23C	109.5
N1—C1—C2	123.00 (18)	H23B—C23—H23C	109.5
N1—C1—H1	118.5	C13—O13—Cd1	98.47 (12)
C2—C1—H1	118.5	C13—O23—Cd1	85.70 (12)
C3—C2—C1	118.82 (18)	O24—C14—O14	120.99 (17)
C3—C2—H2	120.6	O24—C14—C24	120.98 (17)
C1—C2—H2	120.6	O14—C14—C24	118.02 (16)
C2—C3—C4	119.59 (18)	O24—C14—Cd1	63.65 (10)
C2—C3—H3	120.2	O14—C14—Cd1	57.71 (9)
C4—C3—H3	120.2	C24—C14—Cd1	173.24 (13)
C3—C4—C12	117.74 (17)	C14—C24—H24A	109.5
C3—C4—C5	123.09 (18)	C14—C24—H24B	109.5
C12—C4—C5	119.15 (18)	H24A—C24—H24B	109.5
C6—C5—C4	121.43 (19)	C14—C24—H24C	109.5
C6—C5—H5	119.3	H24A—C24—H24C	109.5
C4—C5—H5	119.3	H24B—C24—H24C	109.5
C5—C6—C7	120.77 (18)	C14—O14—Cd1	94.46 (10)
C5—C6—H6	119.6	C14—O14—Cd1i	138.16 (11)
C7—C6—H6	119.6	Cd1—O14—Cd1i	107.63 (5)
C11—C7—C8	117.7 (2)	C14—O24—Cd1	89.32 (11)
C11—C7—C6	119.41 (19)

D—H···A	D—H	H···A	D···A	D—H···A
C24—H24B···O13i	0.98	2.51	3.313 (2)	139

Group 1/Group 2	ccd	ipd	sa
Cg1/Cg2ii	3.5209 (11)	3.50 (1)	4(2)

Table 1

Selected bond lengths (Å)

Cd1—O13	2.2594 (15)
Cd1—O14	2.3239 (13)
Cd1—N1	2.3466 (15)
Cd1—N2	2.3890 (18)
Cd1—O14i	2.4398 (13)
Cd1—O24	2.4561 (15)
Cd1—O23	2.5425 (16)

Symmetry code: (i) .