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Volume 69 
Part 6 
Page m334  
June 2013  

Received 13 May 2013
Accepted 15 May 2013
Online 18 May 2013

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.006 Å
R = 0.021
wR = 0.058
Data-to-parameter ratio = 11.6
Details
Open access

(Cyclobutane-1,1-dicarboxylato-[kappa]2O,O')(1,10-phenanthroline-[kappa]2N,N')platinum(II) dihydrate

aDepartment of Inorganic Chemistry, Faculty of Science, Palacký University, 17. listopadu 12, CZ-771 46 Olomouc, Czech Republic
Correspondence e-mail: zdenek.travnicek@upol.cz

The title compound, [Pt(C6H6O4)(C12H8N2)]·2H2O, which crystallizes as two independent formula units, has the metal atom in a square-planar geometry defined by two O atoms of the chelating cyclobutane-1,1-dicarboxylate dianion and two N atoms of the chelating 1,10-phenanthroline molecule (r.m.s. deviations of the PtO2N2 units = 0.026 and 0.026 Å). Adjacent complex and water molecules are connected through intermolecular O-H...O hydrogen bonds and C-H...O, C...O [shortest C...O distance = 3.140 (5) Å], [pi]-[pi] [shortest C...C distances = 3.234 (6) and 3.347 (6) Å] and Pt...[pi] [shortest Pt...C distance = 3.358 (4) Å] interactions into a three-dimensional network.

Related literature

For platinum(II) cyclobutane-1,1-dicarboxylate complexes of other bidentate heterocyclic N-donor ligands, see: Ferreira et al. (1997[Ferreira, A. D. Q., Bino, A. & Gibson, D. (1997). Inorg. Chim. Acta, 265, 155-161.]); Yoo et al. (1999[Yoo, J., Sohn, Y. S. & Do, Y. (1999). J. Inorg. Biochem. 73, 187-193.]); Tu et al. (2003[Tu, C., Lin, J., Shao, Y. & Guo, Z. (2003). Inorg. Chem. 42, 5795-5797.], 2004[Tu, C., Wu, X., Liu, C., Wang, X., Xu, Q. & Guo, Z. (2004). Inorg. Chim. Acta, 357, 95-102.]).

[Scheme 1]

Experimental

Crystal data
  • [Pt(C6H6O4)(C12H8N2)]·2H2O

  • Mr = 553.43

  • Triclinic, [P \overline 1]

  • a = 10.93439 (14) Å

  • b = 11.83205 (18) Å

  • c = 13.51039 (19) Å

  • [alpha] = 84.7158 (12)°

  • [beta] = 84.3918 (11)°

  • [gamma] = 85.6240 (11)°

  • V = 1728.17 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 8.16 mm-1

  • T = 100 K

  • 0.30 × 0.30 × 0.25 mm

Data collection
  • Agilent Xcalibur Sapphire2 diffractometer

  • Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2012[Agilent (2012). CrysAlis PRO. Agilent Technologies Ltd, Santa Clara, CA, USA.]) Tmin = 0.193, Tmax = 0.235

  • 13766 measured reflections

  • 6042 independent reflections

  • 5691 reflections with I > 2[sigma](I)

  • Rint = 0.019

Refinement
  • R[F2 > 2[sigma](F2)] = 0.021

  • wR(F2) = 0.058

  • S = 1.12

  • 6042 reflections

  • 519 parameters

  • 8 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 1.27 e Å-3

  • [Delta][rho]min = -0.89 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H5W...O6 0.84 1.97 2.802 (5) 170
O6-H6W...O3 0.83 2.03 2.842 (4) 165
O7-H7W...O3A 0.83 1.93 2.753 (4) 169
O8-H8V...O7 0.85 1.95 2.806 (5) 175
O5-H5V...O8i 0.85 1.98 2.821 (5) 169
O6-H6V...O4ii 0.84 2.00 2.839 (4) 173
O7-H7V...O4Aiii 0.83 2.00 2.828 (4) 176
O8-H8W...O1iv 0.84 2.43 3.125 (4) 142
O8-H8W...O3iv 0.84 2.17 2.971 (4) 160
C7A-H7AA...O3iv 0.95 2.55 3.376 (5) 146
C7-H7A...O7iv 0.95 2.49 3.145 (5) 126
C8-H8A...O5v 0.95 2.59 3.259 (6) 128
C9-H9A...O6v 0.95 2.51 3.436 (6) 165
C14A-H14A...O8vi 0.95 2.35 3.230 (6) 154
C14-H14B...O5vii 0.95 2.36 3.309 (6) 174
C18A-H18A...O4Av 0.95 2.38 3.196 (5) 144
C18-H18B...O4v 0.95 2.55 3.151 (5) 121
Symmetry codes: (i) x+1, y, z-1; (ii) -x+1, -y+1, -z; (iii) -x, -y+2, -z+1; (iv) -x+1, -y+1, -z+1; (v) x, y-1, z; (vi) -x, -y+1, -z+1; (vii) x-1, y-1, z.

Data collection: CrysAlis PRO (Agilent, 2012[Agilent (2012). CrysAlis PRO. Agilent Technologies Ltd, Santa Clara, CA, USA.]); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; 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: DIAMOND (Brandenburg, 2011[Brandenburg, K. (2011). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NG5330 ).


Acknowledgements

This work was supported by Palacký University (grant No. PrF_2013_015). The authors wish to thank Mr Tomás Silha for performing the CHN elemental analysis.

References

Agilent (2012). CrysAlis PRO. Agilent Technologies Ltd, Santa Clara, CA, USA.
Brandenburg, K. (2011). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Ferreira, A. D. Q., Bino, A. & Gibson, D. (1997). Inorg. Chim. Acta, 265, 155-161.  [CrossRef] [ChemPort] [ISI]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Tu, C., Lin, J., Shao, Y. & Guo, Z. (2003). Inorg. Chem. 42, 5795-5797.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Tu, C., Wu, X., Liu, C., Wang, X., Xu, Q. & Guo, Z. (2004). Inorg. Chim. Acta, 357, 95-102.  [ISI] [CSD] [CrossRef] [ChemPort]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]
Yoo, J., Sohn, Y. S. & Do, Y. (1999). J. Inorg. Biochem. 73, 187-193.  [ISI] [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2013). E69, m334  [ doi:10.1107/S1600536813013378 ]

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