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Volume 69 
Part 11 
Pages m583-m584  
November 2013  

Received 30 August 2013
Accepted 29 September 2013
Online 5 October 2013

Key indicators
Single-crystal X-ray study
T = 295 K
Mean [sigma](C-C) = 0.009 Å
R = 0.047
wR = 0.112
Data-to-parameter ratio = 15.6
Details
Open access

Bis([mu]-L-arginine-[kappa]3N2,O:O')bis­(L-arginine-[kappa]2N2,O)tetra-[mu]-chlorido-tetra­chlorido­tetra­copper(II)

aDepartment of Physics, Presidency College, Chennai 600 005, India, and bDepartment of Physics, CPCL Polytechnic College, Chennai 600 068, India
Correspondence e-mail: chakkaravarthi_2005@yahoo.com, professormohan@yahoo.co.in

The title compound, [Cu4Cl8(C6H14N4O2)4], contains four mol­ecules in the asymmetric unit. In the mol­ecular structure, each of the four Cu2+ ions binds to three Cl atoms, one N atom and one O atom, resulting in distorted square-pyramidal coordination environments. The molecular structure is stabilized by weak C-H...O and N-H...Cl hydrogen bonds. The crystal structure exhibit weak inter­molecular N-H...O, C-H...O and N-H...Cl inter­actions, generating a three-dimensional network.

Related literature

For general background of copper derivatives, see: Baran (2004[Baran, E. J. (2004). Mini Rev. Med. Chem. 4, 1-9.]); Sorenson (1976[Sorenson, J. R. J. (1976). J. Med. Chem. 19, 135-148.]). For related structures, see: Ramaswamy et al. (2001[Ramaswamy, S., Sridhar, B., Ramakrishnan, V. & Rajaram, R. K. (2001). Acta Cryst. E57, o872-o874.]); Sridhar et al. (2002[Sridhar, B., Srinivasan, N., Dalhus, B. & Rajaram, R. K. (2002). Acta Cryst. E58, o747-o749.]); Sun et al. (2005[Sun, Y.-X., Gao, Y.-Z., Zhang, H.-L., Kong, D.-S. & Yu, Y. (2005). Acta Cryst. E61, m1055-m1057.]); Wang et al. (2012[Wang, H., Lang, Y. & Wang, S. (2012). Acta Cryst. E68, m540.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu4Cl8(C6H14N4O2)4]

  • Mr = 1234.65

  • Monoclinic, P 21

  • a = 11.9315 (8) Å

  • b = 12.8805 (10) Å

  • c = 15.3949 (13) Å

  • [beta] = 99.271 (4)°

  • V = 2335.0 (3) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 2.32 mm-1

  • T = 295 K

  • 0.20 × 0.18 × 0.16 mm

Data collection
  • Bruker Kappa APEXII diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.655, Tmax = 0.708

  • 16238 measured reflections

  • 8443 independent reflections

  • 6378 reflections with I > 2[sigma](I)

  • Rint = 0.053

Refinement
  • R[F2 > 2[sigma](F2)] = 0.047

  • wR(F2) = 0.112

  • S = 0.98

  • 8443 reflections

  • 541 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.98 e Å-3

  • [Delta][rho]min = -0.54 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 2876 Friedel pairs

  • Absolute structure parameter: -0.005 (13)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C9-H9A...O4 0.97 2.47 2.805 (7) 100
C22-H22A...O8 0.97 2.57 3.229 (8) 125
N13-H13B...Cl2 0.90 2.62 3.478 (5) 161
N1-H1A...Cl8 0.90 2.52 3.409 (5) 168
N5-H5C...Cl5 0.90 2.46 3.341 (5) 165
N2-H2A...O8i 0.86 2.02 2.857 (6) 166
N4-H4F...O7i 0.86 2.16 2.998 (7) 164
N10-H10...O4ii 0.86 1.95 2.791 (7) 167
N12-H12B...O3ii 0.86 2.17 2.975 (6) 156
N15-H15C...O1iii 0.86 2.02 2.873 (6) 171
N14-H14A...O2iii 0.86 2.01 2.873 (6) 176
N6-H6...O6iv 0.86 1.99 2.831 (6) 167
N7-H7B...O5iv 0.86 2.15 2.969 (7) 160
C20-H20...O3v 0.98 2.57 3.426 (7) 145
N3-H3C...Cl2vi 0.86 2.38 3.224 (7) 165
N7-H7A...Cl4vi 0.86 2.63 3.465 (6) 164
N8-H8B...Cl3vi 0.86 2.41 3.269 (6) 173
N11-H11C...Cl5vii 0.86 2.28 3.134 (6) 170
N12-H12A...Cl6vii 0.86 2.83 3.574 (6) 146
N16-H16F...Cl8vii 0.86 2.32 3.159 (6) 166
N11-H11D...Cl4viii 0.86 2.71 3.310 (5) 128
C17-H17A...Cl5viii 0.97 2.79 3.588 (6) 140
C23-H23A...Cl8ix 0.97 2.73 3.624 (7) 154
N16-H16E...Cl1ix 0.86 2.59 3.314 (5) 142
N8-H8A...Cl6x 0.86 2.69 3.300 (5) 130
N3-H3D...Cl7xi 0.86 2.70 3.329 (6) 131
N5-H5D...O8xii 0.90 2.33 3.041 (7) 136
C9-H9B...O7xii 0.97 2.60 3.460 (7) 148
N13-H13A...O4v 0.90 2.54 3.081 (7) 120
Symmetry codes: (i) [-x, y+{\script{1\over 2}}, -z+1]; (ii) [-x+2, y-{\script{1\over 2}}, -z+2]; (iii) [-x+1, y-{\script{1\over 2}}, -z+1]; (iv) [-x+1, y+{\script{1\over 2}}, -z+2]; (v) x-1, y, z-1; (vi) x, y+1, z; (vii) x, y-1, z; (viii) [-x+1, y-{\script{1\over 2}}, -z+2]; (ix) [-x, y-{\script{1\over 2}}, -z+1]; (x) [-x+2, y+{\script{1\over 2}}, -z+2]; (xi) [-x+1, y+{\script{1\over 2}}, -z+1]; (xii) x+1, y, z+1.

Data collection: APEX2 (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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: PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RK2413 ).


Acknowledgements

The authors wish to acknowledge SAIF, IIT Madras for DATA Collection.

References

Baran, E. J. (2004). Mini Rev. Med. Chem. 4, 1-9.  [PubMed] [ChemPort]
Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [IUCr Journals]
Ramaswamy, S., Sridhar, B., Ramakrishnan, V. & Rajaram, R. K. (2001). Acta Cryst. E57, o872-o874.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Sorenson, J. R. J. (1976). J. Med. Chem. 19, 135-148.  [CrossRef] [PubMed] [ChemPort] [Web of Science]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Sridhar, B., Srinivasan, N., Dalhus, B. & Rajaram, R. K. (2002). Acta Cryst. E58, o747-o749.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Sun, Y.-X., Gao, Y.-Z., Zhang, H.-L., Kong, D.-S. & Yu, Y. (2005). Acta Cryst. E61, m1055-m1057.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Wang, H., Lang, Y. & Wang, S. (2012). Acta Cryst. E68, m540.  [CSD] [CrossRef] [IUCr Journals]


Acta Cryst (2013). E69, m583-m584   [ doi:10.1107/S1600536813026780 ]

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