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Volume 69 
Part 6 
Page m325  
June 2013  

Received 21 December 2012
Accepted 12 May 2013
Online 18 May 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.002 Å
R = 0.028
wR = 0.080
Data-to-parameter ratio = 12.0
Details
Open access

Bis(2,2',2''-nitrilotriacetamide-[kappa]3O,N,O')cobalt(II) dinitrate tetrahydrate

aCollege of Chemical Engineering, Huanggang Normal University, Huanggang 438000, People's Republic of China, and bCollege of Education Science and Technology, Huanggang Normal University, Huanggang 438000, People's Republic of China
Correspondence e-mail: ranjw@126.com

In the centrosymmetric title compound, [Co(C6H12N4O3)2](NO3)2·4H2O, the CoII ion, lying on an inversion center, is O,N,O'-chelated by two nitrilotriacetamide molecules, forming a distorted octahedral geometry. In the crystal, extensive O-H...O and N-H...O hydrogen bonds link the complex cations, nitrate anions and lattice water molecules into a three-dimensional network.

Related literature

For related structures, see: Kumari et al. (2012[Kumari, N., Ward, B. D., Kar, S. & Mishra, L. (2012). Polyhedron, 33, 425-434.]). For the synthesis of the ligand, see: Smith et al. (1995[Smith, D. A., Sucheck, S., Cramer, S. & Baker, D. (1995). Synth. Commun. 25, 4123-4132.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C6H12N4O3)2](NO3)2·4H2O

  • Mr = 631.41

  • Triclinic, [P \overline 1]

  • a = 8.4910 (17) Å

  • b = 9.1410 (18) Å

  • c = 9.2580 (19) Å

  • [alpha] = 91.55 (3)°

  • [beta] = 96.03 (3)°

  • [gamma] = 110.68 (3)°

  • V = 667.0 (2) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 0.73 mm-1

  • T = 293 K

  • 0.36 × 0.32 × 0.25 mm

Data collection
  • Siemens P4 diffractometer

  • Absorption correction: [psi] scan (XSCANS; Siemens, 1994[Siemens (1994). XSCANS. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.]) Tmin = 0.779, Tmax = 0.838

  • 3692 measured reflections

  • 2301 independent reflections

  • 2185 reflections with I > 2[sigma](I)

  • Rint = 0.016

  • 2 standard reflections every 150 reflections intensity decay: none

Refinement
  • R[F2 > 2[sigma](F2)] = 0.028

  • wR(F2) = 0.080

  • S = 1.05

  • 2301 reflections

  • 191 parameters

  • 6 restraints

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

  • [Delta][rho]max = 0.32 e Å-3

  • [Delta][rho]min = -0.22 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2A...O6i 0.86 2.26 3.026 (3) 149
N2-H2B...O3ii 0.86 1.96 2.816 (2) 173
N3-H3C...O8iii 0.86 2.11 2.958 (3) 168
N3-H3D...O5ii 0.86 2.16 3.001 (3) 166
N4-H4A...O7iv 0.86 2.20 2.992 (3) 152
N4-H4B...O7 0.86 2.30 3.045 (3) 145
O7-H7A...O6 0.88 (2) 2.05 (2) 2.877 (3) 156 (3)
O7-H7B...O8v 0.87 (2) 1.96 (2) 2.826 (3) 176 (3)
O8-H8A...O1i 0.85 (2) 2.14 (2) 2.976 (2) 166 (3)
O8-H8B...O6 0.85 (2) 2.16 (2) 2.980 (3) 161 (3)
O8-H8B...O5 0.85 (2) 2.42 (3) 3.078 (3) 134 (3)
Symmetry codes: (i) -x+1, -y+1, -z+2; (ii) -x+1, -y, -z+2; (iii) x+1, y, z+1; (iv) -x+1, -y, -z+1; (v) -x+1, -y+1, -z+1.

Data collection: XSCANS (Siemens, 1994[Siemens (1994). XSCANS. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.]); cell refinement: XSCANS; data reduction: XSCANS; 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2611 ).


Acknowledgements

This research was supported by the Huangzhou Scholar Fund (2012).

References

Kumari, N., Ward, B. D., Kar, S. & Mishra, L. (2012). Polyhedron, 33, 425-434.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Siemens (1994). XSCANS. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.
Smith, D. A., Sucheck, S., Cramer, S. & Baker, D. (1995). Synth. Commun. 25, 4123-4132.  [CrossRef] [ChemPort] [ISI]


Acta Cryst (2013). E69, m325  [ doi:10.1107/S1600536813012968 ]

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