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The Mössbauer spectrum is provided in the Supporting Information. Measurements in the presence of external magnetic fields in combination with EPR spectroscopy and magnetic susceptibility measurements are in progress to further characterize the magnetic and electronic properties of the complex.
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19
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4944225505
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note
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max = 44.24). The space group was determined based on systematic absences and intensity statistics. A successful direct-methods solution was calculated using the software package SHELXTL v.6.1[11a] that revealed the locations of most non-hydrogen atoms. Several full-matrix least squares refinements followed by difference Fourier calculations were performed using SHELXTL, which located the remainder of the non-hydrogen atoms. All non-hydrogen atoms were refined with anisotropic thermal displacement parameters unless stated otherwise. All hydrogen atoms were placed in ideal positions and refined as riding atoms with individual isotropic thermal displacement parameters. From 43 589 collected reflections, 17 914 were independent; number of parameters 1324. The data were processed with SADABS for absorption correction.[11b] CCDC-234743 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam.ac.uk/conts/retrieving.html (or from the Cambridge Crystallographic Data Centre, 12, Union Road, Cambridge CB21EZ, UK; fax: (+44)1223-336-033; or deposit@ccdc.cam.ac.uk).
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note
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2 (no TMS) on a Bruker AMX 500 instrument (25°C). An optimized high power 90° pulse of 7.55 μs was used. Spinlock time for the TOCSY experiment was 75 ms with a 13 dB low-energy pulse. The data were processed with the software package nmrPipe, where they were zero filled, and after Fourier transformation and manual phasing baseline correction was applied using the built-in automated function. The processed FIDs were converted into the UCSF format and were analyzed and assigned using the software package SPARKY.
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Unpublished results.
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