[(Nitrato-κ2O,O′)(nitrito-κ2O,O′)(0.25/1.75)]bis­(1,10-phenanthroline-κ2N,N′)cadmium(II)

Najafi, E.; Amini, M.M.; Ng, S.W.

doi:10.1107/S1600536811002431

Volume 67
Part 2
Page m250
February 2011

Received 12 January 2011
Accepted 17 January 2011
Online 22 January 2011

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.004 Å
Disorder in main residue
R = 0.033
wR = 0.073
Data-to-parameter ratio = 14.9
Details

[(Nitrato-²O,O')(nitrito-²O,O')(0.25/1.75)]bis(1,10-phenanthroline-²N,N')cadmium(II)

Ezzatollah Najafi,^a Mostafa M. Amini ^a and Seik Weng Ng ^b ^*

^aDepartment of Chemistry, General Campus, Shahid Beheshti University, Tehran 1983963113, Iran, and ^bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Correspondence e-mail: seikweng@um.edu.my

The reaction of cadmium nitrate and sodium nitrite in the presence of 1,10-phenanthroline yields the mixed nitrate-nitrite title complex, [Cd(NO₂)_1.75(NO₃)_0.25(C₁₂H₈N₂)₂]. The metal ion is bis-chelated by two N-heterocycles as well as by the nitrate/nitrite ions in a distorted dodecahedral CdN₄O₄ coordination environment. One nitrite group is ordered; the other is disordered with respect to a nitrate group (ratio 0.75:0.25) concerning the O atom that is not involved in bonding to the metal ion.

Related literature

For the crystal structure of [Cd(NO₃)₂(C₁₂H₈N₂)₂], see: Tadjarodi et al. (2001) and for the crystal structure of [Cd(NO₂)₂(C₁₂H₈N₂)₂], see: Abedini et al. (2005).

Experimental

Crystal data

[Cd(NO₂)_1.75(NO₃)_0.25(C₁₂H₈N₂)₂]
M_r = 568.83
Triclinic, $[P \overline 1]$
a = 9.1470 (4) Å
b = 10.1866 (4) Å
c = 13.0057 (6) Å
= 76.953 (4)°
= 77.270 (4)°
= 70.404 (4)°
V = 1098.27 (8) Å³
Z = 2
Mo K radiation
= 1.04 mm^-1
T = 100 K
0.30 × 0.20 × 0.10 mm

Data collection

Agilent Technologies SuperNova Dual diffractometer with an Atlas detector
Absorption correction: multi-scan (CrysAlis PRO; Agilent Technologies, 2010) T_min = 0.745, T_max = 0.903
8702 measured reflections
4852 independent reflections
4256 reflections with I > 2(I)
R_int = 0.032

Refinement

R[F² > 2(F²)] = 0.033
wR(F²) = 0.073
S = 1.02
4852 reflections
325 parameters
H-atom parameters constrained
_max = 0.49 e Å^-3
_min = -0.69 e Å^-3

Table 1
Selected bond lengths (Å)

Cd1-O3	2.355 (2)
Cd1-N6	2.390 (2)
Cd1-N4	2.393 (2)
Cd1-N3	2.418 (2)
Cd1-O1	2.4547 (19)
Cd1-O4	2.503 (2)
Cd1-O2	2.5041 (19)
Cd1-N5	2.510 (2)

Data collection: CrysAlis PRO (Agilent Technologies, 2010); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2452 ).

Acknowledgements

We thank Shahid Beheshti University and the University of Malaya for supporting this study.

References

Abedini, J., Morsali, A. & Kempe, R. (2005). J. Coord. Chem. 58, 1161-1167.
Agilent Technologies (2010). CrysAlis PRO. Agilent Technologies, Yarnton, England.
Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Tadjarodi, A., Taeb, A. & Ng, S. W. (2001). Main Group Met. Chem. 24, 805-806.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.

metal-organic compounds

[(Nitrato-2O,O')(nitrito-2O,O')(0.25/1.75)]bis(1,10-phenanthroline-2N,N')cadmium(II)