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Bis (2,3,5,6-Tetra-2-Pyridylpyrazine-, ,) Iron (II) Bis (Dicyanamidate) 4.5-Hydrate
Bis (2,3,5,6-Tetra-2-Pyridylpyrazine-, ,) Iron (II) Bis (Dicyanamidate) 4.5-Hydrate
Structure Reports
Online
ISSN 1600-5368
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ISSN 1600-5368
Volume 61
Part 11
November 2005
Structure Reports
Online
Editors: W. Clegg and D. G. Watson
Inorganic compounds
Metal-organic compounds
Organic compounds
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metal-organic compounds
Acta Crystallographica Section E
Structure Reports
Online
ISSN 1600-5368
Bis(2,3,5,6-tetra-2-pyridylpyrazinej3N2,N1,N6)iron(II) bis(dicyanamidate)
4.5-hydrate
L. Callejo,a N. De la Pinta,a G. Madariaga,b* M.L. Fidalgoc
and R. Cortesc
a
;
Key indicators: single-crystal X-ray study; T = 293 K; mean (CC) = 0.004 A
disorder in solvent or counterion; R factor = 0.063; wR factor = 0.168; data-toparameter ratio = 20.4.
Experimental
Crystal data
[Fe(C24H16N6)2](C2N3)24.5H2O
Mr = 1045.88
Monoclinic, P21 =c
a = 13.9216 (7) A
b = 18.9271 (9) A
c = 19.1425 (9) A
= 97.017 (4)
Data collection
Renement
R[F 2 > 2(F 2)] = 0.063
wR(F 2) = 0.168
S = 1.02
15912 reections
779 parameters
135 restraints
Table 1
, ).
Hydrogen-bond geometry (A
DH A
O1WH11W N13
O1WH12W N12i
O2WH21W N15
O2WH22W O1W
O3WH31W N10
O3WH32W O5WAii
O3WH32W O4W
O3WH32W O4W ii
O4WH41W O5WA
O5WAH52A N16A
O5WBH51B N6
O5WBH52B N16B
C8H8 O4W iii
i
Related literature
3
V = 5006.2 (4) A
Z=4
Mo K radiation
= 0.37 mm1
T = 293 K
0.1 0.1 0.01 mm
DH
H A
D A
DH A
0.84
0.86
0.85
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.86
0.93
2.17
1.98
2.16
1.96
2.32
2.29
2.11
2.41
1.95
2.19
2.52
2.22
2.45
2.862 (5)
2.830 (4)
2.903 (6)
2.785 (4)
2.909 (10)
2.87 (2)
2.46 (3)
3.24 (3)
2.72 (4)
2.92 (2)
3.188 (8)
3.057 (18)
3.349 (16)
139
173
146
160
126
126
104
162
153
143
136
164
162
(2)
(2)
(3)
(3)
(11)
(12)
(12)
(12)
(7)
(4)
(11)
(8)
(3)
(2)
(4)
(3)
(13)
(15)
(18)
(12)
(9)
(4)
(12)
(7)
(3)
(3)
(3)
(4)
(11)
(15)
(13)
(15)
(17)
(7)
(13)
(10)
Symmetry codes: (i) x; y 12; z 12; (ii) x 1; y; z 1; (iii) x; y 12; z 12.
doi:10.1107/S1600536810003363
electronic reprint
Callejo et al.
m249
metal-organic compounds
This work was supported by the Universidad del PasVasco
(UPV 00169.12513956/2004), the Ministerio de Ciencia y
Tecnologa (CTQ200505778-PPQ) and the Basque Government (project IT-28207). LC thanks the UPV/EHU for her
doctoral fellowship. NdelaP thanks the UPV/EHU for nancial support from Convocatoria para la concesion de ayudas
de especializacion para investigadores doctores en la UPV/
EHU (2008).
Supplementary data and gures for this paper are available from the
IUCr electronic archives (Reference: ZL2260).
References
Allis, D. G., Burkholder, E. & Zubieta, J. (2004). Polyhedron, 23, 11451152.
m250
Callejo et al.
[Fe(C24H16N6)2](C2N3)24.5H2O
Arana, C., Yan, S., Keshavarz, K. M., Potes, K. T. & Abruna, H. D. (1992).
Inorg. Chem. 31, 36803682.
Burkholder, E. & Zubieta, J. (2004). Inorg. Chim. Acta, 357, 12291235.
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837838.
He, Y., Kou, H.-Z., Zhou, B. C., Xiong, M., Wang, R.-J. & Li, Y. (2002). Acta
Cryst. E58, m389m391.
Konigstein, C. & Bauer, R. (1994). Hydrogen Energy Progress X (Proc. 10th
World Hydrogen Energy Conf.), Vol. 2, edited by D. L. Block & T. N.
Veziroglu, pp. 717725. Coral Gables: International Association for
Hydrogen Energy.
Konigstein, C. & Bauer, R. (1997). Int. J. Hydrogen Ener. 22, 471474.
Laine, P., Gourdon, A. & Launay, J. P. (1995). Inorg. Chem. 34, 51565165.
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor,
R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453457.
Nardelli, M. (1999). J. Appl. Cryst. 32, 563571.
Oxford Diffraction (2007). CrysAlis CCD and CrysAlis RED. Oxford
Diffraction Ltd, Abingdon, England.
Ruminski, R. R. & Kiplinger, J. L. (1990). Inorg. Chem. 29, 45814584.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112122.
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