cis-Bis(2,2′-bipyrimidine-κ2N1,N1′)di­iodidomanganese(II)

Ha, K.

doi:10.1107/S160053681105080X

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 (C-C) = 0.006 Å
R = 0.027
wR = 0.064
Data-to-parameter ratio = 20.1
Details

cis-Bis(2,2'-bipyrimidine-²N¹,N^1')diiodidomanganese(II)

Kwang Ha ^a ^*

^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 Mn^II complex, with the entire molecule completed by the application of twofold symmetry. The Mn^II 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-HN and C-HI 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,b).

Experimental

Crystal data

[MnI₂(C₈H₆N₄)₂]
M_r = 625.08
Monoclinic, C 2/c
a = 8.2841 (4) Å
b = 13.8442 (7) Å
c = 17.8243 (9) Å
= 97.822 (1)°
V = 2025.19 (17) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.863, T_max = 1.000
7130 measured reflections
2477 independent reflections
1923 reflections with I > 2(I)
R_int = 0.023

Refinement

R[F² > 2(F²)] = 0.027
wR(F²) = 0.064
S = 1.10
2477 reflections
123 parameters
H-atom parameters constrained
_max = 0.94 e Å^-3
_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-HA	D-H	HA	DA	D-HA
C6-H6N3ⁱⁱ	0.95	2.60	3.151 (5)	117
C6-H6N2ⁱⁱⁱ	0.95	2.62	3.554 (5)	166
C7-H7I1^iv	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); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2009); 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.
Ha, K. (2011a). Acta Cryst. E67, m1414.
Ha, K. (2011b). Acta Cryst. E67, m1453.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.

metal-organic compounds

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