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Volume 69 
Part 4 
Page m204  
April 2013  

Received 10 February 2013
Accepted 2 March 2013
Online 13 March 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.052 Å
R = 0.093
wR = 0.271
Data-to-parameter ratio = 12.6
Details
Open access

[2-(2,2':4',2''-Terpyridin-6'-yl-[kappa]2N1,N1')benzoato-[kappa]O]manganese(II) trihydrate

aAdvanced Material Institute of Research, Department of Chemistry and Chemical Engineering, Qilu Normal University, Shandong 250013, People's Republic of China
Correspondence e-mail: xinzhengliu_qlnu@yahoo.com.cn

In the title complex, [Mn(C22H14N3O2)2]·3H2O, the MnII ion is coordinated by two N,N',O-tridentate 2-(2,2':4',2''-terpyridin-6'-yl-[kappa]2N1,N1')benzoate ligands in a distorted cis-MnO2N4 octahedral geometry. In one ligand, the dihedral angles between the central pyridine ring, the other bonded pyridine ring, the terminal pyridine ring and the benzene ring are 14.3 (15), 18.3 (18) and 43.9 (16)°, respectively. The equivalent angles in the second ligand are 5.8 (18), 6.3 (18), and 47.0 (17)°, respectively. In the crystal, the complex molecules and lattice water molecules are linked by O-H...O and O-H...N hydrogen bonds, generating a three-dimensional network.

Related literature

For background to the applications of coordination complexes, see: Fan et al. (2013[Fan, L. M., Zhang, X. T., Li, D. C., Sun, D., Zhang, W. & Dou, J. M. (2013). CrystEngComm, 15, 349-355.]).

[Scheme 1]

Experimental

Crystal data
  • [Mn(C22H14N3O2)2]·3H2O

  • Mr = 813.71

  • Triclinic, [P \overline 1]

  • a = 11.157 (2) Å

  • b = 12.141 (2) Å

  • c = 15.517 (3) Å

  • [alpha] = 82.79 (3)°

  • [beta] = 84.19 (3)°

  • [gamma] = 70.59 (3)°

  • V = 1962.7 (7) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.40 mm-1

  • T = 293 K

  • 0.12 × 0.10 × 0.08 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.954, Tmax = 0.969

  • 16229 measured reflections

  • 6746 independent reflections

  • 4043 reflections with I > 2[sigma](I)

  • Rint = 0.098

Refinement
  • R[F2 > 2[sigma](F2)] = 0.093

  • wR(F2) = 0.271

  • S = 1.00

  • 6746 reflections

  • 536 parameters

  • 9 restraints

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

  • [Delta][rho]max = 0.58 e Å-3

  • [Delta][rho]min = -2.70 e Å-3

Table 1
Selected bond lengths (Å)

Mn1-O1 2.10 (2)
Mn1-O3 2.11 (2)
Mn1-N5 2.26 (2)
Mn1-N2 2.27 (2)
Mn1-N4 2.33 (2)
Mn1-N1 2.41 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H2W...O2i 0.82 (1) 2.23 (8) 2.768 (8) 123 (8)
O1W-H1W...O2ii 0.82 (1) 2.27 (7) 2.881 (8) 145 (6)
O2W-H4W...N3 0.82 (1) 2.24 (4) 3.022 (9) 159 (9)
O3W-H5W...O4iii 0.82 (1) 2.65 (8) 2.765 (8) 89 (6)
Symmetry codes: (i) -x+2, -y+1, -z+1; (ii) x, y-1, z; (iii) x-1, y, z.

Data collection: APEX2 (Bruker, 2004[Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2001[Bruker (2001). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus; 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: HB7038 ).


References

Bruker (2001). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Fan, L. M., Zhang, X. T., Li, D. C., Sun, D., Zhang, W. & Dou, J. M. (2013). CrystEngComm, 15, 349-355.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2013). E69, m204  [ doi:10.1107/S1600536813006004 ]

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