Correction to: Synthesis and structures of layered metal sulfonate salts

ELSEVIER

Inorganica Chimica Acta 244 (1996) 253-254

Note

Correction to: Synthesis and structures of layered metal sulfonate salts Eric J. Kosnic, E. Lynn McClymont, Ryan A. Hodder, Philip J. Squattrito * Department of Chemistry, CentralMichigan University,Mt. Pleasant, M148859, USA Received 30 March 1995; revised 29 July 1995

Abstract

The crystal structure of cobalt benzenesulfonate hexahydrate, Co(C6HsSOs)2" 6H20, has been rerefined in a higher symmetry space group, resulting in much more regular bond distances and angles with smaller estimated standard deviations. The new atomic positions and isotropic thermal parameters are presented. Crystal data: monoclinic, P21/c, a = 7.017 (2), b = 6.324(2), c = 23.966(4) ,~,/3 = 110.68 (3)°, V= 995 ( 1) .~s, Z = 2 .

Keywords: Crystal structures; Cobalt complexes; Sulfonate complexes

The crystal structure of cobalt benzenesulfonate hexahydrate, C o (C6H550 3) 2" 6H20, was recently reported in space group P21 (No. 4) in a unit cell of dimensions a = H20

O

H20 o

7.017(2), b=6.324(2), c=22.468(4) A, and /3= 93.70(3) ° [ 1 ]. Studies o f similar salts have led to the discovery that the structure may be described in the higher symmetry space group P21/c (No. 14, setting 1) once the unit cell is transformed to the appropriate setting with a = 7 . 0 1 7 ( 2 ) , b = 6 . 3 2 4 ( 2 ) , c = 2 3 . 9 6 6 ( 4 ) A, and /3= 110.68(3) °. In this space group, the Co atom is placed on an inversion center at the origin and the sulfonate anions are all symmetry related. Refinement o f 125 variables, including anisotropic thermal parameters for all non-hydrogen atoms, and 1254 observations with I > 3tr ( / ) converged to R = 0.054 and Rw = 0.056. Though these residuals are slightly higher than those obtained in t h e original refinement, the bond distances and angles in P2~/c are much more regular with standard deviations that are one-half to one-quarter as large as before. Moreover, a full anisotropic refinement was accomplished in the new space group, while the phenyl rings had to be refined as rigid groups in P2~. Consequently, though the essential features o f the structure remain as previously reported [ 1 ] , we conclude that the structure is better described in the centrosymmetric space group P2~/c. The o

* Corresponding author. 0020-1693/96/$15.00 © 1996 Elsevier Science S.A. All rights reserved SSD10020- 169 3 ( 95 ) 047 84-9

Table I Positional and equivalent isotropic thermal parameters for Co (C6HsSO3)2" 6H20 in space group P211c Atom

x

y

z

B~

Co(l) S(1) o( 1) 0(2) 0(3) 0(4) 0(5) 0(6) C(1) c(2) C(3) C(4) c(5) c(6) H( 1) H(2) H(3) H(4) H(5 ) H(6) H(7) H(8) H(9) H(10) H(ll)

0 0.6274(3) 0.7894(6) 0.4290(6) 0.6207(7) -0.0541(7) -0.2808(6) 0.1467(7) 0.690(1) 0.788( 1) 0.834(1) 0.788(1) 0.691(1) 0.6/42(I) 0.070 -0.170 -0.367 -0.425 0.175 0.253 0.823 0.899 0.824 0.656 0.573

0 0.1174(3) 0.0220(8) 0.0209(8) 0.3456(7) -0.2862(7) 0.1094(7) 0.1127(7) 0.071(1) 0.222( I ) 0.180(2) -0.013(2) -0.166(2) -0.124(1) - 0.353 -0.363 0.261 0.058 0.264 0.029 0.359 0.289 - 0.040 - 0.307 -0.231

0 0.60545(8) 0.5892(2) 0.5756(2) 0.5977(2) -0.0450(2) -0.0559(2) -0.0555(2) 0.6834(3) 0.7237(4) 0.7843(3) 0.8021(3) 0.7608(4) 0.7014(3) - 0.056 -0.045 -0.063 -0.073 - 0.070 - 0.069 0.710 0.814 0.845 0.774 0.671

2.50(5) 2.80(7) 3.5(2) 3.8(2) 3.8(2) 4.1(2) 4.1(2) 4.0(2) 3.0(3) 4.1 (3) 5.0(4) 5.6(5) 5.6(4) 3.9(3) 4.7 4.7 4.7 4.7 4.5 4.5 4.8 5.8 6.4 6.6 4.6

new atomic positions and isotropic thermal parameters are listed in Table 1. The benzenesulfonate salts o f divalent Mg, Mn, Ni and Zn are isostructural with the Co phase.

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E.J. Kosnic et al. / lnorganica Chimica Acta 244 (1996) 253-254

Supplementary material

References

Tables of bond distances and angles, anisotropic thermal parameters, and observed versus calculated structure amplitudes are available from author P.J.S.

[ 1] E. Kosnic, E. McClymont, R. Hodder and P. Squattrito, lnorg. Chim. Acta, 201 (1992) 143-151.