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Inorg. Chem. 1984,23, 3682
Contribution No. 7001 from the Department of Chemistry, A. A. Noyes Laboratory of Chemical Physics, California Institute of Technology, Pasadena, California 91 125
Crystal Structure of Au7(PPII~)~+: Corrigendum Richard E. Marsh Received March 15. 1984
The crystal structure of a compound of this heptanuclear cation (the anion was unidentified, but may have been OH-) was reported' as triclinic, space group Pi,with a = 34.94(1) A, b = 44.25 (2) A, c = 15.45 (1) A, a = 99.98 (3)O, p = 102.66 ( 3 ) O , y = 88.11 (3)O, and Z = 8. It can more appropriately be described as monoclinic, space group CZ/c. The vectors (201), (OOi), (110) describe a cell with u ' = 68.18 A, b'= 15.45A, c ' = 55.47 A, a' = 89.99', p ' = 128.22', y ' = 90.1lo, and Z = 16. While the deviation of the angle y' from 90' is marginally grwter than would be expected on the basis of the reported uncertainties, conclusive evidence of the higher symmetry comes from the atomic positions (Table I1 of Ref l), which, after the appropriate transformations ( x ' = 1/2(x + y ) , y' = '/z(x + y ) - z, z' = y ) , conform in pairs to the symmetry of C2lc within the reported esd's. The C2/c coordinates and the shifts necessary to achieve this higher symmetry are given in Table I. The c-glide plane of C2/c requires the systematic absence of reflections hkO with ( h k) odd in the triclinic indexing. No such entries appear in the supplementary table of Fs for 4787 reflections with I > 3 4 0 .
+
Acknowledgment. This investigation was supported in part by Public Health Service Research Grant No. GM 16966 from the National Institutes of Health. Registry No. A u ~ ( P P ~ ~9201 ) ~ +1-28-4. ,
0020-1669/84/1323-3682$01.50/0
Table I. Coordinates (X104 for Au, x103 for P) for the C2/c Description (Shifts Necessary To Achieve This Higher Symmetry Given in Square Brackets) Au(11,22) Au(12,21) A~(13,26) Au(14,25) Au(15,24) Au(16,23) A~(17,27) A~(31,42) Au(32,41) Au(33,43) Au(34,44) AU(35,45) Au(36,46) Au(37,47) P(11,22) P(12,21) P(13,26) P(14,25) P(15,24) P(16,23) P(17,27) P(31,42) P(32,41) P(33,43) P(34,44) P(35,45) P(36,46) P(37,47)
x (~1.5)'
y (i6.5)'
1412 [O] 1126 [ 2 ] 1038 [ O ] 906 [ O ] 1264 [ 2 ] 1634 [ 2 ] 1456 [ 2 ] 6439 [ 2 ] 6203 [ l ] 6118 [ O ] 5943 [ 3 ] 6315 [ 2 ] 6714 [ l ] 6605 [ l ]
-114 [ 2 ] 873 [ 2 ] -972 [ 3 ] 85 [ O ] 1529 [ 4 ] 1332 [ 5 ] -129 (21 -1409 [ 3 ] -54 [ O ] -1737 [ 4 ] -1323 [ 5 ] -313 [ 2 ] 76 [ 2 ] -706 [ 3 ]
1785 [ O ] 1822 [ 3 ] 1764 [ 2 ] 1256 [O] 1486 [ 2 ] 2162 [ O ] 2337 [ l ] 4430 [21 4402 [ 2 ] 4554 [ I ] 3939 [ 3 ] 3954 [ l ] 4601 [ I ] 4988 [ 2 ]
x (20.9)'
y (24.1)'
z (T1.2)'
167 [ l ] 89 [OI 85 [ O ] 56 [ I 1 132 [O] 200 [O] 160 [ l ] 662 [ l ] 597 [ O ] 594 [ O ] 557 [ l ] 629 [ l ] 703 [ l ] 682 [ 11
-101 [ 2 ] 175 [ l ] -232 [ 4 ] -4 [ O I 248 [ l ] 207 [O] -40 [ 2 ] -242 [41 109 [ 6 ] -270 [ O ] -150 [ 3 ] 22 [ O I 93 [ 2 ] -58 [ l ]
178 [ O ] 189 [ l ] 166 [ l ] 77 [ I 1 124 [ I ] 248 [ 2 ] 284 [ O ] 445 [ O ] 436 [ 2 ] 470 [ O ] 350 [ O ] 355 [ l l 476 [ O ] 552 [ O ]
z (r1.8)'
' Esd's, estimated from the values in Table I1 of ref 1. (1) van der Velden, J. W. A,; Beurskens, P. T.; Bour, J. J.; Bosman, W. P.; Noordik, J. H.; Kolenbrander, M.; Buskes, J. A. K. M. Inorg. Chem. 1984, 23, 146.
0 1984 American Chemical Society
