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Volume 68 
Part 1 
Page m1  
January 2012  

Received 25 November 2011
Accepted 25 November 2011
Online 3 December 2011

Key indicators
Single-crystal X-ray study
T = 200 K
Mean [sigma](C-C) = 0.006 Å
R = 0.027
wR = 0.064
Data-to-parameter ratio = 20.1
Details
Open access

cis-Bis(2,2'-bipyrimidine-[kappa]2N1,N1')diiodidomanganese(II)

aSchool of Applied Chemical Engineering, The Research Institute of Catalysis, Chonnam National University, Gwangju 500-757, Republic of Korea
Correspondence e-mail: hakwang@chonnam.ac.kr

The asymmetric unit of the title complex, [MnI2(C8H6N4)2], contains one half of a neutral MnII complex, with the entire molecule completed by the application of twofold symmetry. The MnII ion is six-coordinated in a distorted octahedral environment defined by four N atoms of the two chelating 2,2'-bipyrimidine (bpym) ligands and two I- anions in a cis-N4I2 coordination geometry. The dihedral angle between the least-squares planes of the two bpym ligands (r.m.s deviation for all non-H atoms = 0.063 Å) is 85.04 (6)°. In the crystal, complex molecules are connected by C-H...N and C-H...I hydrogen bonds, forming a three-dimensional network. Molecules are stacked in columns along the a axis. Along the c axis, successive molecules stack in the opposite directions.

Related literature

For related crystal structures of [MnI(bpym)2(H2O)]I·xH2O (x = 2, 1), see: Ha (2011a[Ha, K. (2011a). Acta Cryst. E67, m1414.],b[Ha, K. (2011b). Acta Cryst. E67, m1453.]).

[Scheme 1]

Experimental

Crystal data
  • [MnI2(C8H6N4)2]

  • Mr = 625.08

  • Monoclinic, C 2/c

  • a = 8.2841 (4) Å

  • b = 13.8442 (7) Å

  • c = 17.8243 (9) Å

  • [beta] = 97.822 (1)°

  • V = 2025.19 (17) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 3.72 mm-1

  • T = 200 K

  • 0.34 × 0.22 × 0.17 mm

Data collection
  • Bruker SMART 1000 CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2000[Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.863, Tmax = 1.000

  • 7130 measured reflections

  • 2477 independent reflections

  • 1923 reflections with I > 2[sigma](I)

  • Rint = 0.023

Refinement
  • R[F2 > 2[sigma](F2)] = 0.027

  • wR(F2) = 0.064

  • S = 1.10

  • 2477 reflections

  • 123 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.94 e Å-3

  • [Delta][rho]min = -0.50 e Å-3

Table 1
Selected geometric parameters (Å, °)

Mn1-N4 2.289 (3)
Mn1-N1 2.305 (3)
Mn1-I1 2.8410 (5)
N4i-Mn1-N1 71.78 (10)
I1-Mn1-I1i 104.19 (3)
Symmetry code: (i) [-x+1, y, -z+{\script{1\over 2}}].

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C6-H6...N3ii 0.95 2.60 3.151 (5) 117
C6-H6...N2iii 0.95 2.62 3.554 (5) 166
C7-H7...I1iv 0.95 2.97 3.917 (4) 173
Symmetry codes: (ii) -x+1, -y, -z+1; (iii) [x, -y, z+{\script{1\over 2}}]; (iv) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}].

Data collection: SMART (Bruker, 2000[Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2000[Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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: ORTEP-3 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]) and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT5729 ).


Acknowledgements

This work was supported by the Priority Research Centers Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (2010-0029626).

References

Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Ha, K. (2011a). Acta Cryst. E67, m1414.  [CSD] [CrossRef] [details]
Ha, K. (2011b). Acta Cryst. E67, m1453.  [CSD] [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]


Acta Cryst (2012). E68, m1  [ doi:10.1107/S160053681105080X ]

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