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metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 67| Part 9| September 2011| Pages m1176-m1177
doi:10.1107/S1600536811030005

Ethyl­enedi­ammonium tetra­aqua­di­sulfato­cadmate

Walid Rekik,a* Houcine Naïli,a Tahar Mhiria and Thierry Batailleb

aLaboratoire de l'État Solide, Département de Chimie, Faculté des Sciences de Sfax, Université de Sfax, BP 1171, 3000 Sfax, Tunisia, and bLaboratoire de Chimie du Solide et Inorganique Moléculaire (CNRS, UMR 6511), Université de Rennes I, Avenue du Général Leclerc, 35042 Rennes Cedex, France
*Correspondence e-mail: w_rekik@alinto.com

(Received 18 July 2011; accepted 25 July 2011; online 2 August 2011)

The crystal structure of the title compound, [NH3(CH2)2NH3][Cd(SO4)2(H2O)4], consists of [Cd(SO4)2(H2O)4]2− anions that are built from octa­hedral Cd(H2O)4O2 and SO4 tetra­hedral units linked by corner sharing. The ethyl­ene­diamminium cations are linked to the anions via N—H⋯O hydrogen bonds. The asymmetric unit contains one-half of the compound, the other half being related to the first by an inversion centre. The crystal structure presents alternate stacking of the inorganic and organic layers along the crystallographic b axis. The structure cohesion and stability is further assured by O(water)—H⋯O hydrogen bonds.

Related literature

For our previous work on the synthesis, characterization and properties of mixed metal sulfates and amines, see: Rekik et al. (2005[Rekik, W., Naïli, H., Mhiri, T. & Bataille, T. (2005). Acta Cryst. E61, m629-m631.], 2007[Rekik, W., Naïli, H., Mhiri, T. & Bataille, T. (2007). J. Chem. Crystallogr. 37, 147-155.], 2008[Rekik, W., Naïli, H., Mhiri, T. & Bataille, T. (2008). Mater. Res. Bull. 43, 2709-2718.], 2009a[Rekik, W., Naïli, H., Mhiri, T. & Bataille, T. (2009a). Acta Cryst. E65, m1404-m1405.]); Naïli et al. (2006[Naïli, H., Rekik, W., Bataille, T. & Mhiri, T. (2006). Polyhedron, 25, 3543-3554.]); Yahyaoui et al. (2007[Yahyaoui, S., Rekik, W., Naïli, H., Mhiri, T. & Bataille, T. (2007). J. Solid State Chem. 180, 3560-3570.]). For the manganese, iron, cobalt and magnesium analogs of the title compound, see: Chaabouni et al. (1996[Chaabouni, S., Kamoun, S., Daoud, A. & Jouini, T. (1996). Acta Cryst. C52, 505-506.]); Held (2003[Held, P. (2003). Acta Cryst. E59, m197-m198.]); Rekik et al. (2008[Rekik, W., Naïli, H., Mhiri, T. & Bataille, T. (2008). Mater. Res. Bull. 43, 2709-2718.], 2009b[Rekik, W., Naïli, H., Mhiri, T. & Bataille, T. (2009b). J. Solid State Sci. 11, 614-621.]). For our previous work on the synthesis, characterization and properties of mixed metal sulfates and amines, see: Rekik, Naïli, Bataille & Mhiri (2006[Rekik, W., Naïli, H., Bataille, T. & Mhiri, T. (2006). J. Organomet. Chem. 691, 4725-4732. ]); Rekik, Naïli, Bataille, Roisnel & Mhiri (2006[Rekik, W., Naïli, H., Bataille, T., Roisnel, T. & Mhiri, T. (2006). Inorg. Chim. Acta, 359, 3954-3962. ]).

[Scheme 1]

Experimental

Crystal data

  • (C2H10N2)[Cd(SO4)2(H2O)4]

  • Mr = 438.70

  • Triclinic, [P \overline 1]

  • a = 6.9114 (2) Å

  • b = 7.3056 (2) Å

  • c = 7.3629 (1) Å

  • α = 74.013 (2)°

  • β = 71.731 (1)°

  • γ = 78.043 (1)°

  • V = 336.39 (1) Å3

  • Z = 1

  • Mo Kα radiation

  • μ = 1.99 mm−1

  • T = 293 K

  • 0.12 × 0.11 × 0.07 mm
Data collection

  • Nonius KappaCCD diffractometer

  • Absorption correction: analytical (de Meulenaer & Tompa, 1965[Meulenaer, J. de & Tompa, H. (1965). Acta Cryst. 19, 1014-1018.]) Tmin = 0.817, Tmax = 0.885

  • 8732 measured reflections

  • 4684 independent reflections

  • 4352 reflections with I > 2σ(I)

  • Rint = 0.040
Refinement

  • R[F2 > 2σ(F2)] = 0.030

  • wR(F2) = 0.070

  • S = 1.04

  • 4684 reflections

  • 105 parameters

  • 6 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • Δρmax = 0.90 e Å−3

  • Δρmin = −1.49 e Å−3

Table 1
Selected bond lengths (Å)

Cd—OW1 2.2511 (12)
Cd—O4 2.2789 (9)
Cd—OW2 2.2887 (10)

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A D⋯A D—H⋯A
N—H0A⋯O4 0.89 1.93 2.8155 (15) 177
N—H0B⋯O2ii 0.89 1.99 2.8378 (16) 160
N—H0C⋯O3iii 0.89 2.03 2.8767 (15) 160
OW1—H11⋯O2iv 0.83 (2) 1.90 (2) 2.7342 (15) 176 (3)
OW1—H12⋯O3v 0.85 (2) 1.89 (2) 2.7293 (17) 173 (3)
OW2—H21⋯O1vi 0.83 (2) 2.01 (2) 2.8177 (14) 163 (2)
OW2—H22⋯O1vii 0.84 (2) 1.89 (2) 2.7150 (15) 165 (2)
Symmetry codes: (ii) -x+1, -y+2, -z+2; (iii) -x+2, -y+2, -z+2; (iv) -x+1, -y+1, -z+3; (v) x, y-1, z; (vi) x, y, z-1; (vii) -x+2, -y+1, -z+2.

Data collection: COLLECT (Nonius, 1998[Nonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: SCALEPACK (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: DENZO (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]) and SCALEPACK; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: DIAMOND (Brandenburg & Berndt, 1999[Brandenburg, K. & Berndt, M. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: WinGX (Farrugia, 1999[Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.]).

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536811030005/go2021sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536811030005/go2021Isup2.hkl

checkCIF report


Comment top

The chemistry of organic-inorganic hybrid materials has received increasing attention over the last few years, mainly with the idea of using amines as templates and associating transition metals. A great interest has been shown in some organically templated metal sulfate because of their open-framework structure and ferroelastic and ferroelectric propreties. We note also that a previous work of synthesis and characterization of mixed metal sulfates and amines, leading to many important physical properties, has been realized in our laboratory (Rekik et al., 2005; Naïli, et al., 2006; Rekik et al., 2007; Yahyaoui et al., 2007; Rekik et al., 2008; Rekik et al., 2009a). In the course of our investigations on new sulfate materials having interesting properties, we report here the chemical preparation and the structural characterization of a new ethylenediammonium cadmium (II) teraaquadisulfato, [NH3(CH2)2NH3][Cd(SO4)2(H2O)4]. The title compound is isostructural with the manganese, iron, cobalt and magnesium related phases (Chaabouni et al., 1996; Held, 2003; Rekik et al., 2008; Rekik et al., 2009b). As it can be seen in figure 1, the crystal structure shows an alternate stacking of inorganic layers of tetraaquabis(sulfato-O)cadmium anions, [Cd(SO4)2(H2O)4]2-, and organic layers of [NH3(CH2)2NH3]2+ cations along the crystallographic b axis. Anions and cations are linked together through N—H···O hydrogen bonds to form a three-dimensional network. The asymmetric unit (Fig. 2) of the title compound contains only one cadmium atom located at a symmetry centre, only one sulfate tetrahedron and ethylendiammonium cation lying about inversion centre. The Cd(II) central atom is octahedrally coordinated by one oxygen atom of sulfate group, two water molecules and the corresponding centrosymmetrically located atoms. Each octahedron around Cd shares two oxygen atoms with two sulfate groups to form trimeric units. These latest are stabilized and linked via OW—H···O hydrogen bonds giving rise to a three-dimensional inorganic framework delimiting tunnels along the three crystallographic axes. The negative charge of the inorganic part is compensated by ethylediammonium cations which are located on inversion centres in the inorganic framework cavities. The structure cohesion and stability are assured by two types of hydrogen bonds, OW—H···O and N—H···O.

Related literature top

For our previous work on the synthesis, characterization and properties of mixed metal sulfates and amines, see: Rekik et al. (2005, 2007, 2008, 2009a); Naïli et al. (2006); Yahyaoui et al. (2007). For the manganese, iron, cobalt and magnesium analogs of the title compound, see: Chaabouni et al. (1996); Held (2003); Rekik et al. (2008, 2009b). For ???, see: Rekik, Naïli, Bataille & Mhiri (2006); Rekik, Naïli, Bataille, Roisnel & Mhiri (2006).

Experimental top

Single-crystals of the title compound were grown by slow evaporation at room temperature of an aqueous solution of CdSO4.8(H2O)/C2H8N2 /H2SO4in a ratio 1:1:1. The product was filtered off and washed with a small amount of distilled water.

Refinement top

The aqua H atoms were located in difference map and refined with O—H distance restraints of 0.85 (2) Å and H—H distance restraints of 1.35 (2) Å. H atoms bonded to C and N atomswere positioned geometrically and allowed to ride on their parent atom, with C—H = 0.97 Å, N—H = 0.89 Å and Uiso = 1.2Ueq(C, N). The 1 1 3 reflection has been omitted, (Iobs/Ical)/sigma greater than 10.

Computing details top

Data collection: COLLECT (Nonius, 1998); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO and SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg & Berndt, 1999); software used to prepare material for publication: WinGX (Farrugia, 1999).

Figures top
[Figure 1] Fig. 1. Projection of the crystal structure of the title compound along the a axis, with hydrogen bonds indicated as dashed lines.
[Figure 2] Fig. 2. A part of the crystal structure of the title compound showing the asymmetric unit (expanded by symmetry to give complete organic cation and trimeric unit) and atom numbering. Displacement ellipsoids are drawn at the 50% probability level. Hydrogen bonds are represented by dashed lines.[Symmetry codes: (I) -x + 1, -y + 1, -z + 2; (II) -x + 2, -y + 2, -z + 1.]
Ethylenediammonium tetraaquadisulfatocadmate top
Crystal data top
(C2H10N2)[Cd(SO4)2(H2O)4]Z = 1
Mr = 438.70F(000) = 220
Triclinic, P1Dx = 2.166 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 6.9114 (2) ÅCell parameters from 8732 reflections
b = 7.3056 (2) Åθ = 2.9–42.2°
c = 7.3629 (1) ŵ = 1.99 mm−1
α = 74.013 (2)°T = 293 K
β = 71.731 (1)°Prism, colourless
γ = 78.043 (1)°0.12 × 0.11 × 0.07 mm
V = 336.39 (1) Å3
Data collection top
Nonius KappaCCD
diffractometer		4684 independent reflections
Radiation source: fine-focus sealed tube4352 reflections with I > 2σ(I)
Horizontally mounted graphite crystal monochromatorRint = 0.040
Detector resolution: 9 pixels mm-1θmax = 42.2°, θmin = 2.9°
CCD rotation images, thick slices scansh = −13→13
Absorption correction: analytical
(de Meulenaer & Tompa, 1965)		k = −9→13
Tmin = 0.817, Tmax = 0.885l = −9→13
8732 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.030H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.070 w = 1/[σ2(Fo2) + (0.0105P)2 + 0.0726P]
where P = (Fo2 + 2Fc2)/3
S = 1.04(Δ/σ)max = 0.001
4684 reflectionsΔρmax = 0.90 e Å−3
105 parametersΔρmin = −1.49 e Å−3
6 restraintsExtinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.242 (7)
Crystal data top
(C2H10N2)[Cd(SO4)2(H2O)4]γ = 78.043 (1)°
Mr = 438.70V = 336.39 (1) Å3
Triclinic, P1Z = 1
a = 6.9114 (2) ÅMo Kα radiation
b = 7.3056 (2) ŵ = 1.99 mm−1
c = 7.3629 (1) ÅT = 293 K
α = 74.013 (2)°0.12 × 0.11 × 0.07 mm
β = 71.731 (1)°
Data collection top
Nonius KappaCCD
diffractometer		4684 independent reflections
Absorption correction: analytical
(de Meulenaer & Tompa, 1965)		4352 reflections with I > 2σ(I)
Tmin = 0.817, Tmax = 0.885Rint = 0.040
8732 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0306 restraints
wR(F2) = 0.070H atoms treated by a mixture of independent and constrained refinement
S = 1.04Δρmax = 0.90 e Å−3
4684 reflectionsΔρmin = −1.49 e Å−3
105 parameters
Special details top

Experimental. Data were corrected for Lorentz-polarization effects and an analytical absorption correction (de Meulenaer & Tompa, 1965) was applied. The structure was solved in the P -1 space group by the direct methods (Cd and S) and subsequent difference Fourier syntheses (all other atoms), with an exception for H atoms bonded to C and N atoms which are positioned geometrically.

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
xyzUiso*/Ueq
Cd0.50000.50001.00000.01899 (4)
OW10.5857 (3)0.24405 (19)1.22634 (18)0.0483 (4)
OW20.77475 (16)0.43008 (19)0.74717 (15)0.0293 (2)
S0.69724 (4)0.72895 (4)1.24802 (4)0.01654 (5)
O10.81539 (17)0.55801 (17)1.34097 (15)0.02945 (19)
O20.49364 (16)0.76868 (19)1.38281 (14)0.0302 (2)
O30.81079 (17)0.89591 (15)1.18806 (15)0.02517 (18)
O40.66952 (18)0.69978 (16)1.06591 (13)0.0285 (2)
N0.83624 (18)0.99858 (18)0.75717 (15)0.02352 (18)
H0A0.77890.90540.85330.035*
H0B0.73861.09230.72700.035*
H0C0.92191.04480.79640.035*
C0.9515 (2)0.92081 (19)0.58209 (17)0.0226 (2)
H1D0.85910.86850.54000.027*
H1E1.05750.81800.61450.027*
H210.765 (3)0.456 (4)0.633 (2)0.037 (6)*
H120.661 (4)0.140 (3)1.205 (4)0.066 (9)*
H110.561 (4)0.235 (4)1.347 (2)0.045 (7)*
H220.896 (3)0.439 (4)0.740 (3)0.044 (6)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd0.02244 (6)0.01866 (6)0.01811 (6)−0.00551 (4)−0.00646 (4)−0.00462 (4)
OW10.0878 (12)0.0283 (6)0.0277 (5)0.0176 (7)−0.0281 (6)−0.0090 (4)
OW20.0206 (4)0.0431 (6)0.0245 (4)−0.0046 (4)−0.0047 (3)−0.0096 (4)
S0.01696 (11)0.01998 (12)0.01439 (10)−0.00478 (9)−0.00561 (8)−0.00337 (8)
O10.0256 (5)0.0265 (5)0.0308 (4)−0.0015 (4)−0.0096 (4)0.0031 (4)
O20.0200 (4)0.0437 (6)0.0221 (4)−0.0006 (4)−0.0016 (3)−0.0069 (4)
O30.0289 (5)0.0231 (4)0.0292 (4)−0.0102 (4)−0.0118 (3)−0.0056 (3)
O40.0410 (6)0.0350 (5)0.0168 (3)−0.0214 (5)−0.0087 (3)−0.0045 (3)
N0.0244 (5)0.0274 (5)0.0175 (4)−0.0054 (4)−0.0040 (3)−0.0036 (3)
C0.0275 (5)0.0220 (5)0.0178 (4)−0.0080 (4)−0.0036 (4)−0.0032 (4)
Geometric parameters (Å, º) top
Cd—OW1i2.2511 (12)S—O21.4708 (10)
Cd—OW12.2511 (12)S—O31.4770 (10)
Cd—O42.2789 (9)S—O41.4884 (8)
Cd—O4i2.2789 (9)N—C1.4803 (16)
Cd—OW2i2.2887 (10)N—H0A0.8900
Cd—OW22.2887 (10)N—H0B0.8900
OW1—H120.846 (16)N—H0C0.8900
OW1—H110.833 (15)C—Cii1.514 (2)
OW2—H210.833 (15)C—H1D0.9700
OW2—H220.842 (15)C—H1E0.9700
S—O11.4669 (11)
OW1i—Cd—OW1180.0H21—OW2—H22107.2 (19)
OW1i—Cd—O485.76 (5)O1—S—O2110.44 (7)
OW1—Cd—O494.24 (5)O1—S—O3110.09 (7)
OW1i—Cd—O4i94.24 (5)O2—S—O3110.47 (7)
OW1—Cd—O4i85.76 (5)O1—S—O4110.31 (7)
O4—Cd—O4i180.0O2—S—O4108.81 (6)
OW1i—Cd—OW2i95.02 (5)O3—S—O4106.63 (6)
OW1—Cd—OW2i84.98 (5)S—O4—Cd134.68 (6)
O4—Cd—OW2i87.96 (4)C—N—H0A109.5
O4i—Cd—OW2i92.04 (4)C—N—H0B109.5
OW1i—Cd—OW284.98 (5)H0A—N—H0B109.5
OW1—Cd—OW295.02 (5)C—N—H0C109.5
O4—Cd—OW292.04 (4)H0A—N—H0C109.5
O4i—Cd—OW287.96 (4)H0B—N—H0C109.5
OW2i—Cd—OW2180.000 (1)N—C—Cii109.62 (13)
Cd—OW1—H12127.0 (18)N—C—H1D109.7
Cd—OW1—H11127.6 (18)Cii—C—H1D109.7
H12—OW1—H11105 (2)N—C—H1E109.7
Cd—OW2—H21121.2 (16)Cii—C—H1E109.7
Cd—OW2—H22123.0 (15)H1D—C—H1E108.2
Symmetry codes: (i) −x+1, −y+1, −z+2; (ii) −x+2, −y+2, −z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N—H0A···O40.891.932.8155 (15)177
N—H0B···O2iii0.891.992.8378 (16)160
N—H0C···O3iv0.892.032.8767 (15)160
OW1—H11···O2v0.83 (2)1.90 (2)2.7342 (15)176 (3)
OW1—H12···O3vi0.85 (2)1.89 (2)2.7293 (17)173 (3)
OW2—H21···O1vii0.83 (2)2.01 (2)2.8177 (14)163 (2)
OW2—H22···O1viii0.84 (2)1.89 (2)2.7150 (15)165 (2)
Symmetry codes: (iii) −x+1, −y+2, −z+2; (iv) −x+2, −y+2, −z+2; (v) −x+1, −y+1, −z+3; (vi) x, y−1, z; (vii) x, y, z−1; (viii) −x+2, −y+1, −z+2.

Experimental details

Crystal data
Chemical formula(C2H10N2)[Cd(SO4)2(H2O)4]
Mr438.70
Crystal system, space groupTriclinic, P1
Temperature (K)293
a, b, c (Å)6.9114 (2), 7.3056 (2), 7.3629 (1)
α, β, γ (°)74.013 (2), 71.731 (1), 78.043 (1)
V (Å3)336.39 (1)
Z1
Radiation typeMo Kα
µ (mm−1)1.99
Crystal size (mm)0.12 × 0.11 × 0.07
Data collection
DiffractometerNonius KappaCCD
diffractometer
Absorption correctionAnalytical
(de Meulenaer & Tompa, 1965)
Tmin, Tmax0.817, 0.885
No. of measured, independent and
observed [I > 2σ(I)] reflections		8732, 4684, 4352
Rint0.040
(sin θ/λ)max (Å−1)0.945
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.030, 0.070, 1.04
No. of reflections4684
No. of parameters105
No. of restraints6
H-atom treatmentH atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3)0.90, −1.49

Computer programs: COLLECT (Nonius, 1998), DENZO and SCALEPACK (Otwinowski & Minor, 1997), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg & Berndt, 1999), WinGX (Farrugia, 1999).

Selected bond lengths (Å) top
Cd—OW1i2.2511 (12)Cd—O4i2.2789 (9)
Cd—OW12.2511 (12)Cd—OW2i2.2887 (10)
Cd—O42.2789 (9)Cd—OW22.2887 (10)
Symmetry code: (i) −x+1, −y+1, −z+2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N—H0A···O40.891.932.8155 (15)176.7
N—H0B···O2ii0.891.992.8378 (16)159.5
N—H0C···O3iii0.892.032.8767 (15)159.5
OW1—H11···O2iv0.833 (15)1.902 (15)2.7342 (15)176 (3)
OW1—H12···O3v0.846 (16)1.887 (17)2.7293 (17)173 (3)
OW2—H21···O1vi0.833 (15)2.012 (17)2.8177 (14)163 (2)
OW2—H22···O1vii0.842 (15)1.894 (17)2.7150 (15)165 (2)
Symmetry codes: (ii) −x+1, −y+2, −z+2; (iii) −x+2, −y+2, −z+2; (iv) −x+1, −y+1, −z+3; (v) x, y−1, z; (vi) x, y, z−1; (vii) −x+2, −y+1, −z+2.
 

Acknowledgements

Grateful thanks are expressed to Dr T. Roisnel (Centre de Diffractométrie X, Université de Rennes 1) for the X-ray data collection.

References

First citationBrandenburg, K. & Berndt, M. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.  Google Scholar
 First citationChaabouni, S., Kamoun, S., Daoud, A. & Jouini, T. (1996). Acta Cryst. C52, 505–506.  CSD CrossRef CAS Web of Science IUCr Journals Google Scholar
 First citationFarrugia, L. J. (1999). J. Appl. Cryst. 32, 837–838.  CrossRef CAS IUCr Journals Google Scholar
 First citationHeld, P. (2003). Acta Cryst. E59, m197–m198.  Web of Science CSD CrossRef IUCr Journals Google Scholar
 First citationMeulenaer, J. de & Tompa, H. (1965). Acta Cryst. 19, 1014–1018.  CrossRef IUCr Journals Web of Science Google Scholar
 First citationNaïli, H., Rekik, W., Bataille, T. & Mhiri, T. (2006). Polyhedron, 25, 3543–3554.  Google Scholar
 First citationNonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.  Google Scholar
 First citationOtwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307–326. New York: Academic Press.  Google Scholar
 First citationRekik, W., Naïli, H., Bataille, T. & Mhiri, T. (2006). J. Organomet. Chem. 691, 4725–4732.   CrossRef CAS Google Scholar
 First citationRekik, W., Naïli, H., Bataille, T., Roisnel, T. & Mhiri, T. (2006). Inorg. Chim. Acta, 359, 3954–3962.   CAS Google Scholar
 First citationRekik, W., Naïli, H., Mhiri, T. & Bataille, T. (2005). Acta Cryst. E61, m629–m631.  Web of Science CSD CrossRef CAS IUCr Journals Google Scholar
 First citationRekik, W., Naïli, H., Mhiri, T. & Bataille, T. (2007). J. Chem. Crystallogr. 37, 147–155.  Web of Science CSD CrossRef CAS Google Scholar
 First citationRekik, W., Naïli, H., Mhiri, T. & Bataille, T. (2008). Mater. Res. Bull. 43, 2709–2718.  Web of Science CrossRef CAS Google Scholar
 First citationRekik, W., Naïli, H., Mhiri, T. & Bataille, T. (2009a). Acta Cryst. E65, m1404–m1405.  CrossRef IUCr Journals Google Scholar
 First citationRekik, W., Naïli, H., Mhiri, T. & Bataille, T. (2009b). J. Solid State Sci. 11, 614–621.  CrossRef CAS Google Scholar
 First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
 First citationYahyaoui, S., Rekik, W., Naïli, H., Mhiri, T. & Bataille, T. (2007). J. Solid State Chem. 180, 3560–3570.  Web of Science CSD CrossRef CAS Google Scholar

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ISSN: 2056-9890
Volume 67| Part 9| September 2011| Pages m1176-m1177
doi:10.1107/S1600536811030005
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