A solution and solid state study of niobium complexes University of ...
A solution and solid state study of niobium complexes University of ...
A solution and solid state study of niobium complexes University of ...
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Chapter 4<br />
packages 2 respectively. Analysis <strong>of</strong> the data showed no significant decay during the<br />
data collection. Data was corrected for absorption effects using the multi-scan<br />
technique SADABS 3 , <strong>and</strong> the structure was solved by the direct methods package<br />
SIR97 4 <strong>and</strong> refined using the WinGX 5 s<strong>of</strong>tware incorporating SHELXL. 6 The final<br />
anisotropic full-matrix least-squares refinement was done on F 2 . The methine,<br />
methylene <strong>and</strong> aromatic protons were placed in geometrically idealized positions (C–<br />
H = 0.93 – 0.98 Å) <strong>and</strong> constrained to ride on their parent atoms with Uiso(H) = 1.2<br />
Ueq(C). Non-hydrogen atoms were refined with anisotropic displacement parameters.<br />
The graphics were done using the DIAMOND 7 program with 50% probability<br />
ellipsoids for all non-hydrogen atoms.<br />
2<br />
Bruker SAINT-Plus Version 6.02 (including XPREP), Bruker AXS Inc. Area-Detector Integration S<strong>of</strong>tware,<br />
Madison, WI, USA, 1999.<br />
3<br />
Bruker SADABS Version 2004/1. Bruker AXS Inc. Area Detector Absorption Correction S<strong>of</strong>tware, Madison, WI,<br />
USA, 1998.<br />
4<br />
A. Altomare, M.C. Burla, M. Camalli, G.L. Cascarano, C. Giacovazzo, A. Guagliardi, A.G.G. Moliterni, G.<br />
Polidori, R. Spagna, J. Appl. Cryst., 1999, 32, 115.<br />
5<br />
L.J. Farrugia, J. Appl. Cryst., 1999, 32, 837.<br />
6<br />
G.M. Sheldrick, SHELXL97. Program for crystal structure refinement, <strong>University</strong> <strong>of</strong> Göttingen, Germany, 1997.<br />
7 K. Br<strong>and</strong>enburg & H. Putz; DIAMOND, Release 3.0e, Crystal Impact GbR, Bonn, Germany,<br />
2006.<br />
60