Tetra­carbonyl-1κ2C,3κ2C-bis[1,3(η5)-cyclo­penta­dien­yl]dihydroxido-2κ2O-diirontin(2 Fe—Sn) monohydrate

Kössel, S.; Wagner, C.; Merzweiler, K.

doi:10.1107/S1600536810021975

Volume 66
Part 7
Page m811
July 2010

Received 14 May 2010
Accepted 8 June 2010
Online 18 June 2010

Key indicators
Single-crystal X-ray study
T = 200 K
Mean (C-C) = 0.004 Å
R = 0.019
wR = 0.048
Data-to-parameter ratio = 15.6
Details

Tetracarbonyl-1²C,3²C-bis[1,3(⁵)-cyclopentadienyl]dihydroxido-2²O-diirontin(2 Fe-Sn) monohydrate

Stefanie Kössel,^a Christoph Wagner ^a and Kurt Merzweiler ^a ^*

^aInstitut für Chemie, Naturwissenschaftliche Fakulät II, Martin-Luther-Universität Halle-Wittenberg, Kurt-Mothes-Strasse 2, 06120 Halle, Germany
Correspondence e-mail: kurt.merzweiler@chemie.uni-halle.de

In the title hydrate, [Fe₂Sn(C₅H₅)₂(OH)₂(CO)₄]·H₂O, the central Sn atom is tetrahedrally coordinated by two {Cp(CO)₂Fe} fragments and two hydroxide groups. The [{Cp(CO)₂Fe}₂Sn(OH)₂] and water molecules are linked by O-HO hydrogen bridges, giving two-dimensional arrays with 4.8² topology that stack along the c axis.

Related literature

For the crystal structures of diorganotin dihydroxides, see: Pu et al. (2001); Tajima et al. (2006). For the related structure of [{Cp(CO)₂Fe}₂Sn(OH)₂] (without experimental details), see: Nesmeyanov et al. (1966). For related structures [{Cp(CO)₂Fe}₃SnOH, see: O'Connor & Corey (1967); Fässler & Schütz (1997).

Experimental

Crystal data

[Fe₂Sn(C₅H₅)₂(OH)₂(CO)₄]·H₂O
M_r = 524.64
Triclinic, $[P \overline 1]$
a = 7.1760 (6) Å
b = 9.7262 (9) Å
c = 12.063 (1) Å
= 92.046 (7)°
= 90.822 (7)°
= 97.560 (7)°
V = 833.93 (12) Å³
Z = 2
Mo K radiation
= 3.24 mm^-1
T = 200 K
0.16 × 0.15 × 0.07 mm

Data collection

Stoe IPDS 2T diffractometer
Absorption correction: numerical (X-AREA; Stoe & Cie, 2009) T_min = 0.607, T_max = 0.806
7904 measured reflections
3641 independent reflections
3374 reflections with I > 2(I)
R_int = 0.018

Refinement

R[F² > 2(F²)] = 0.019
wR(F²) = 0.048
S = 1.05
3641 reflections
233 parameters
4 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.44 e Å^-3
_min = -0.62 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O5-H1O7ⁱ	0.80 (4)	2.01 (4)	2.778 (2)	159 (4)
O6-H2O1ⁱⁱ	0.80 (3)	2.44 (3)	3.212 (2)	160 (3)
O7-H3O5ⁱⁱⁱ	0.82 (4)	1.96 (4)	2.773 (3)	176 (4)
O7-H4O6	0.82 (3)	1.90 (3)	2.709 (2)	174 (4)
Symmetry codes: (i) -x+1, -y+1, -z+2; (ii) -x+1, -y+2, -z+2; (iii) x-1, y, z.

Data collection: X-AREA (Stoe & Cie, 2009); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2009); software used to prepare material for publication: SHELXL97 and PLATON (Spek, 2009).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: TK2678 ).

References

Brandenburg, K. (2009). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Fässler, T. F. & Schütz, U. (1997). J. Organomet. Chem. 541, 269-276.
Nesmeyanov, A. N., Anisimov, K. N., Kolobova, N. E. & Skirpkin, V. V. (1966). Izv. Akad. Nauk Ser. Khim. 7, 1292-1292.
O'Connor, J. E. & Corey, E. R. (1967). Inorg. Chem. 6, 968-971.
Pu, L., Hardman, N. J. & Power, P. P. (2001). Organometallics, 20, 5105-5109.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.
Stoe & Cie (2009). X-AREA. Stoe & Cie, Darmstadt, Germany.
Tajima, T., Takeda, N., Sasamori, T. & Tokitoh, N. (2006). Organometallics, 25, 3552-3553.

metal-organic compounds

Tetracarbonyl-12C,32C-bis[1,3(5)-cyclopentadienyl]dihydroxido-22O-diirontin(2 Fe-Sn) monohydrate