Bis(2,2′-bipyridyl-κ2 N,N′)(nitrato-κ2 O,O′)(trifluoro­acetato-κO)cadmium(II)

Wenzeng Duan; Junshan Sun; Yudao Ma; Rentao Wu

doi:10.1107/S1600536809016717

. 2009 May 14;65(Pt 6):m635. doi: 10.1107/S1600536809016717

Bis(2,2′-bipyridyl-κ² N,N′)(nitrato-κ² O,O′)(trifluoroacetato-κO)cadmium(II)

Wenzeng Duan ^a,^b,^*, Junshan Sun ^c, Yudao Ma ^b, Rentao Wu ^a

PMCID: PMC2969603 PMID: 21583003

Abstract

In the title complex, [Cd(C₂F₃O₂)(NO₃)(C₁₀H₈N₂)₂], the Cd(II) ion is heptacoordinated by two chelating 2,2′-bipyridyl ligands [Cd⋯N 2.370 (6)–2.416 (6) Å], one carboxylate O atom [Cd⋯O 2.290 (6) Å] from the trifluoroacetate ligand and two O atoms [Cd⋯O 2.386 (6), 2.633 (6) Å] from a chelating nitrate anion. The trifluoromethyl fragment is rotationally disordered between two orientations in a 0.640 (7):0.360 (7) ratio. In the crystal, weak intermolecular C—H⋯O hydrogen bonds contribute to the crystal packing stability.

Related literature

For the crystal structures of related compounds with nickel, see: Eremenko et al. (1999 ▶); Rajaraman et al. (2005 ▶).

Experimental

Crystal data

[Cd(C₂F₃O₂)(NO₃)(C₁₀H₈N₂)₂]
M _r = 599.80
Monoclinic,
a = 14.9327 (13) Å
b = 9.6613 (8) Å
c = 15.9859 (14) Å
β = 93.568 (2)°
V = 2301.8 (3) Å³
Z = 4
Mo Kα radiation
μ = 1.02 mm⁻¹
T = 273 K
0.12 × 0.10 × 0.06 mm

Data collection

Bruker Smart APEX diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T _min = 0.888, T _max = 0.941
11743 measured reflections
4075 independent reflections
3128 reflections with I > 2σ(I)
R _int = 0.029

Refinement

R[F ² > 2σ(F ²)] = 0.059
wR(F ²) = 0.170
S = 1.02
4075 reflections
329 parameters
516 restraints
H-atom parameters constrained
Δρ_max = 0.94 e Å⁻³
Δρ_min = −1.42 e Å⁻³

Data collection: SMART (Siemens, 1996 ▶); cell refinement: SAINT (Siemens, 1996 ▶); 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.

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809016717/cv2556sup1.cif

e-65-0m635-sup1.cif^{(26.8KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809016717/cv2556Isup2.hkl

e-65-0m635-Isup2.hkl^{(199.7KB, hkl)}

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

Table 1. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C7—H7⋯O5ⁱ	0.93	2.44	3.160 (13)	134
C19—H19⋯O2ⁱⁱ	0.93	2.52	3.320 (11)	145
C13—H13⋯O3ⁱⁱⁱ	0.93	2.43	3.287 (12)	152
C14—H14⋯O2^iv	0.93	2.44	3.294 (11)	152

Open in a new tab

Symmetry codes: (i) Inline graphic ; (ii) ; (iii) ; (iv) .

Acknowledgments

This work was supported by the Postgraduate Foundation of Taishan University (grant No. Y07–2–16).

supplementary crystallographic information

Comment

In recent years, researchers showed considerable interest in the physical and chemical properties of mono- and polynuclear complexes of transition metals. especially in the metal complexes with carboxylates, which are among the most investigated complexes in the field of coordination chemistry. Due to their versatile bonding modes with metal ions, they have also been used in the synthesis of mononuclear (Eremenko, et al., 1999) and multi-nuclear (Rajaraman, et al., 2005) compounds. Herein, we report the crystal structure of the title compound, (I).

In (I) (Fig. 1), the Cd^II ion is seven-coordinated by four N and three O atoms. Weak intermolecular C—H···O hydrogen bonds (Table 1) stabilize the crystal packing.

Experimental

A mixture of trifluoroacetate(1 mmol), 2, 2'-bipyridine(bpy)(1 mmol), cadmium nitrate tetrahydrate (0.5 mmol), NaOH(1 mmol) and H2O(15 ml) were placed in a Teflon-lined stainless steel vessel, and heated to 418 K for 48 h. It was then cooled to room temperature over a period of 24 h. Colourless crystals suitable for X-ray diffraction analysis were obtained.