Tripotassium (bis­{[bis­(carboxyl­atometh­yl)amino]­meth­yl}phosphinato)cuprate(II) dihydrate

Liu, L.; Zhang, R.; Fan, P.; Yu, Z.; Zhang, X.

doi:10.1107/S1600536811053608

Volume 68
Part 1
Page m73
January 2012

Received 5 December 2011
Accepted 13 December 2011
Online 21 December 2011

Key indicators
Single-crystal X-ray study
T = 273 K
Mean (C-C) = 0.005 Å
R = 0.025
wR = 0.065
Data-to-parameter ratio = 12.0
Details

Tripotassium (bis{[bis(carboxylatomethyl)amino]methyl}phosphinato)cuprate(II) dihydrate

Liyan Liu,^a Rui Zhang,^b ^* Ping Fan,^b Zhan Yu ^a and Xiangdong Zhang ^b

^aCollege of Chemistry and Biology, Shenyang Normal University, Shenyang, Liaoning 110000, People's Republic of China, and ^bCollege of Chemistry, Liaoning University, Shenyang, Liaoning 110036, People's Republic of China
Correspondence e-mail: xdzhang@lnu.edu.cn

In the title compound, K₃[Cu(C₁₀H₁₂N₂O₁₀P)]·2H₂O, the Cu^II ion, one potassium cation and a P atom are situated on a twofold rotation axis. The Cu^II ion is coordinated by two N and four O atoms from one bis{[bis(carboxylatomethyl)amino]methyl}phosphinate ligand in a distorted octahedral coordination geometry. The two crystallographically independent potassium ions exhibit different coordination environments. The potassium ion in a general position is heptacoordinated by five carboxylate O atoms, one phosphinate O atom and one water molecule [K-O = 2.718 (3)-3.040 (3) Å], and the potassium ion situated on the twofold rotation axis is hexacoordinated by four carboxylate O atoms and two water molecules [K-O = 2.618 (3)-2.771 (3) Å]. The water molecules are also involved in formation of intermolecular O-HO hydrogen bonds.

Related literature

For details of the synthesis of the ligand, see: Varga (1997); Tircsó et al. (2007). For the isotypic compound with Co(II), see: Xu et al. (2001).

Experimental

Crystal data

K₃[Cu(C₁₀H₁₂N₂O₁₀P)]·2H₂O
M_r = 568.06
Orthorhombic, P 2₁ 2₁ 2
a = 11.880 (7) Å
b = 8.332 (5) Å
c = 9.681 (6) Å
V = 958.2 (10) Å³
Z = 2
Mo K radiation
= 1.94 mm^-1
T = 273 K
0.25 × 0.20 × 0.15 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2000) T_min = 0.643, T_max = 0.760
3814 measured reflections
1686 independent reflections
1553 reflections with I > 2(I)
R_int = 0.041

Refinement

R[F² > 2(F²)] = 0.025
wR(F²) = 0.065
S = 1.07
1686 reflections
141 parameters
2 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.42 e Å^-3
_min = -0.27 e Å^-3
Absolute structure: Flack (1983), 671 Friedel pairs
Flack parameter: -0.016 (19)

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O6-H6AO5ⁱ	0.93 (2)	1.75 (4)	2.682 (4)	173 (4)
O6-H6BO1ⁱⁱ	0.94 (2)	2.02 (5)	2.860 (4)	148 (4)
Symmetry codes: (i) x, y+1, z-1; (ii) -x+1, -y+1, z.

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: SHELXL97, PLATON (Spek, 2009) and WinGX (Farrugia, 1999).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CV5214 ).

Acknowledgements

This work was supported by the National Natural Science Foundation of China (grant Nos. 20971062 and 21171081).

References

Bruker (2001). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Sheldrick, G. M. (2000). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.
Tircsó, G., Bényei, A., Király, R., Lázár, I., Pál, R. & Brücher, E. (2007). Eur. J. Inorg. Chem. pp. 701-713.
Varga, T. R. (1997). Synth. Commun. 27, 2899-2903.
Xu, L., Rettig, S. J. & Orvig, C. (2001). Inorg. Chem. 40, 3734-3738.

metal-organic compounds