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Volume 65 
Part 10 
Pages m1167-m1168  
October 2009  

Received 19 August 2009
Accepted 31 August 2009
Online 5 September 2009

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Key indicators
Single-crystal X-ray study
T = 290 K
Mean [sigma](C-C) = 0.019 Å
Disorder in main residue
R = 0.042
wR = 0.136
Data-to-parameter ratio = 12.4
Details
Open access

Bis(2-fluorobenzoato-[kappa]2O,O')bis(1,10-phenanthroline-[kappa]2N,N')lead(II) dihydrate

Bi-Song Zhanga*

aCollege of Materials Science and Chemical Engineering, Jinhua College of Profession and Technology, Jinhua, Zhejiang 321017, People's Republic of China
Correspondence e-mail: zbs_jy@163.com

In the title compound, [Pb(C7H4FO2)2(C12H8N2)2]·2H2O, the PbII atom is coordinated by four N atoms from two bidentate chelating 1,10-phenanthroline (phen) ligands and four O atoms from two 2-fluorobenzoate ligands in an irregular polyhedral coordination geometry. Two carboxylate O atoms and one F atom are each disordered over two sites with occupancy factors of 0.60 and 0.40. The dihedral angle between the two phen ligands is 89.9 (1)°. The mean interplanar distances are alternatively of 3.44 (3) and 3.45 (3) Å, indicating [pi]-[pi] stacking interactions between the neighboring phen ligands. In the crystal, O-H...O, O-H...F and C-H...O hydrogen bonds link the complex molecules and uncoordinated water molecules into a supramolecular network.

Related literature

For other complexes with a 2(or 4)-fluorobenzoate ligand, see: Ye & Zhang (2009[Ye, S.-F. & Zhang, B.-S. (2009). Acta Cryst. E65, m936-m937.]); Zhang et al. (2005[Zhang, B.-S., Zeng, X.-R., Yu, Y.-Y., Fang, X.-N. & Huang, C.-F. (2005). Z. Kristallogr. New Cryst. Struct. 220, 75-76.]). For related structures, see: Zhang (2004[Zhang, B.-S. (2004). Z. Kristallogr. New Cryst. Struct. 219, 483-484.], 2005[Zhang, B.-S. (2005). Z. Kristallogr. New Cryst. Struct. 220, 73-74.], 2006a[Zhang, B.-S. (2006a). Acta Cryst. E62, m2645-m2647.],b[Zhang, B.-S. (2006b). Z. Kristallogr. New Cryst. Struct. 221, 191-194.],c[Zhang, B. S. (2006c). Z. Kristallogr. New Cryst. Struct. 221, 355-356.]).

[Scheme 1]

Experimental

Crystal data

  • [Pb(C7H4FO2)2(C12H8N2)2]·2H2O

  • Mr = 881.83

  • Triclinic, [P \overline 1]

  • a = 11.406 (2) Å

  • b = 12.510 (3) Å

  • c = 13.771 (3) Å

  • [alpha] = 95.11 (3)°

  • [beta] = 114.39 (3)°

  • [gamma] = 101.72 (3)°

  • V = 1719.0 (9) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 4.97 mm-1

  • T = 290 K

  • 0.29 × 0.18 × 0.17 mm
Data collection

  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.353, Tmax = 0.428

  • 13556 measured reflections

  • 6018 independent reflections

  • 4795 reflections with I > 2[sigma](I)

  • Rint = 0.060
Refinement

  • R[F2 > 2[sigma](F2)] = 0.042

  • wR(F2) = 0.136

  • S = 1.22

  • 6018 reflections

  • 484 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 2.12 e Å-3

  • [Delta][rho]min = -2.69 e Å-3

Table 1
Selected bond lengths (Å)

Pb1-N1 2.675 (9)
Pb1-N2 2.644 (8)
Pb1-N3 2.622 (9)
Pb1-N4 2.566 (8)
Pb1-O1 2.788 (16)
Pb1-O1' 2.95 (3)
Pb1-O2 2.880 (18)
Pb1-O2' 2.77 (3)
Pb1-O3 2.670 (8)
Pb1-O4 2.777 (9)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H5A...O1'i 0.85 2.34 3.027 (4) 138
O5-H5A...F1ii 0.85 2.33 2.801 (5) 116
O5-H5A...O2'i 0.85 2.51 3.313 (6) 158
O5-H5B...O2'ii 0.85 2.05 2.789 (3) 146
O5-H5B...O1ii 0.85 1.99 2.792 (6) 158
O6-H6A...O4 0.85 2.08 2.807 (11) 143
O6-H6B...O2iii 0.85 2.03 2.795 (5) 149
O6-H6B...O1'iii 0.85 2.17 2.889 (5) 143
O7-H7A...O5 0.85 1.97 2.75 (2) 152
O7-H7B...O6iv 0.85 2.29 2.810 (2) 120
C8-H8...O5 0.93 2.54 3.344 (34) 145
C16-H16...O3v 0.93 2.54 3.422 (19) 158
C21-H21...O1 0.93 2.44 3.106 (82) 127
Symmetry codes: (i) x+1, y, z; (ii) -x+2, -y+2, -z+1; (iii) -x+1, -y+1, -z+1; (iv) -x+2, -y+1, -z+1; (v) -x+1, -y+2, -z+1.

Data collection: PROCESS-AUTO (Rigaku, 1998[Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: PROCESS-AUTO; data reduction: PROCESS-AUTO; 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: HY2223 ).

Acknowledgements

The author gratefully acknowledges financial support from the Education Office of Zhejiang Province (grant No. 20051316).

References

Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Ye, S.-F. & Zhang, B.-S. (2009). Acta Cryst. E65, m936-m937.  [CSD] [CrossRef] [ChemPort] [details]
Zhang, B.-S. (2004). Z. Kristallogr. New Cryst. Struct. 219, 483-484.  [ChemPort]
Zhang, B.-S. (2005). Z. Kristallogr. New Cryst. Struct. 220, 73-74.  [ChemPort]
Zhang, B.-S. (2006a). Acta Cryst. E62, m2645-m2647.  [CSD] [CrossRef] [details]
Zhang, B.-S. (2006b). Z. Kristallogr. New Cryst. Struct. 221, 191-194.  [ChemPort]
Zhang, B. S. (2006c). Z. Kristallogr. New Cryst. Struct. 221, 355-356.  [ChemPort]
Zhang, B.-S., Zeng, X.-R., Yu, Y.-Y., Fang, X.-N. & Huang, C.-F. (2005). Z. Kristallogr. New Cryst. Struct. 220, 75-76.  [ChemPort]

Acta Cryst (2009). E65, m1167-m1168   [ doi:10.1107/S1600536809035016 ]

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