(18%). Calculated for [Co(XyN4S2amp)]3ϩ Ϫ 2Hϩ: m/z 427;
found: m/z 427 (9%).
21 I. I. Creaser, J. M. Harrowfield, A. J. Herlt, A. M. Sargeson,
J. Springborg, R. J. Geue and M. R. Snow, J. Am. Chem. Soc., 1977,
99, 3181.
22 lel and ob refer to limiting conformations of five membered chelate
rings in which the C–C axis is respectively parallel and oblique to the
pseudo-C3 axis of the complex cation. See Inorg. Chem., 1970, 9, 1.
For six and seven membered chelate rings the same designation is
applied to the vector between carbon atoms immediately bonded to
ligand donor atoms, as opposed to a C–C axis.
23 P. Hendry and A. Ludi, Adv. Inorg. Chem., 1990, 35, 117.
24 P. Osvath, A. M. Sargeson, A. McAuley, R. E. Mendelez,
S. Subramanian, M. J. Zaworotko and L. Broge, Inorg. Chem., 1999,
38, 3634.
25 G. J. Grant, S. S. Shoup, C. L. Baucom and W. N. Setzer,
Inorg. Chim. Acta, 2001, 317, 91.
26 G. Wei, C. C. Allen, T. W. Hambley, G. A. Lawrance and M. Maeder,
Inorg. Chim. Acta, 1997, 261, 197.
27 R. J. Geue and M. R. Snow, Inorg. Chem., 1977, 16, 231.
28 R. A. D. Wentworth and T. S. Piper, Inorg. Chem., 1965, 4, 709.
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30 C. R. Hare, in Spectroscopy and Structure of Metal Chelate
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31 R. G. Kidd and R. J. Goodfellow, in NMR and the Periodic Table,
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32 ADF2002.03, SCM, Theoretical Chemistry, Vrije Universiteit,
33 C. Fonseca Guerra, J. G. Snijders, G. te Velde and E. J. Baerends,
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Crystal structure determinations
For diffractometry the crystals were mounted onto glass fibres
with Supa Glue. Lattice parameters were determined by least
squares fits to the setting parameters of 25 independent reflec-
tions, measured and refined with an Enraf-Nonius CAD4 dif-
fractometer using graphite-monochromated Mo Kα radiation.
The structures were solved by heavy-atom methods (direct
methods) and refined using full-matrix least squares on F 2.
Hydrogen atoms from the organic ligands were fixed in ideal-
ised positions while those from non-coordinated water mole-
cules were not found and were unable to be refined. Programs
used were SHELXS-86,45 and SHELXL-9746 for solution and
refinement, respectively, and ORTEP47 for plotting. Crystal
data are given in Table 1. The geometries of the molecules are
shown in Fig. 1, 2 and 3 together with atomic numbering
schemes. Selected bond lengths and bond angles are given in
Tables 2, 3 and 4.
CCDC reference numbers 222245–222247.
lographic data in CIF or other electronic format.
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D a l t o n T r a n s . , 2 0 0 4 , 7 6 7 – 7 7 7
777