Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2001


                         Table S3e. 

Anisotropic displacement parameters for Cu(glygly)(OH2)2.H2O at 10 K (XD)
for XD multipole model. 

          The anisotropic displacement factor exponent takes the form: 

                   -2.(pi)^2[h^2.a*^2.U11 + ... + 2.k.l.b*.c*.U23] 


 Atom      U11         U22         U33         U12         U13         U23      

 CuA     0.00361(4)  0.00557(4)  0.00398(4) -0.00009(3)  0.00092(2)  0.00040(3) 
 O1A     0.0047(1)   0.0107(2)   0.0057(1)   0.0000(1)   0.0014(1)   0.0016(1)  
 O2A     0.0047(1)   0.0123(2)   0.0062(1)   0.0002(1)   0.0002(1)   0.0018(1)  
 O3A     0.0060(2)   0.0099(2)   0.0055(1)  -0.0007(1)   0.0017(1)   0.0017(1)  
 O4A     0.0060(1)   0.0090(2)   0.0075(1)   0.0000(1)   0.0021(1)   0.0020(1)  
 O5A     0.0068(2)   0.0075(2)   0.0093(2)   0.0004(1)   0.0013(1)   0.0000(1)  
 O6A     0.0094(2)   0.0091(2)   0.0086(2)   0.0015(1)   0.0030(1)   0.0015(1)  
 N1A     0.0046(1)   0.0093(2)   0.0043(1)  -0.0002(1)   0.0007(1)   0.0017(1)  
 N2A     0.0054(1)   0.0091(2)   0.0065(1)  -0.0009(1)   0.0008(1)   0.0008(1)  
 C1A     0.0043(1)   0.0078(2)   0.0052(1)   0.0003(1)   0.0007(1)   0.0007(1)  
 C2A     0.0049(1)   0.0085(2)   0.0053(1)  -0.0004(1)   0.0012(1)   0.0008(1)  
 C3A     0.0050(1)   0.0075(2)   0.0044(1)  -0.0002(1)   0.0011(1)   0.0009(1)  
 C4A     0.0057(2)   0.0103(2)   0.0058(1)  -0.0004(1)   0.0002(1)   0.0016(1)  
 CuB     0.00387(4)  0.00563(4)  0.00366(4) -0.00039(3)  0.00073(2)  0.00021(3) 
 O1B     0.0057(1)   0.0102(2)   0.0047(1)  -0.0019(1)   0.0010(1)   0.0003(1)  
 O2B     0.0060(2)   0.0124(2)   0.0048(1)  -0.0019(1)  -0.0001(1)   0.0004(1)  
 O3B     0.0063(2)   0.0111(2)   0.0067(2)  -0.0025(1)   0.0024(1)  -0.0007(1)  
 O4B     0.0081(2)   0.0081(2)   0.0063(1)  -0.0018(1)   0.0011(1)   0.0013(1)  
 O5B     0.0100(2)   0.0085(2)   0.0079(2)   0.0015(1)   0.0026(1)   0.0006(1)  
 O6B     0.0074(2)   0.0104(2)   0.0072(2)  -0.0004(1)   0.0017(1)  -0.0007(1)  
 N1B     0.0046(1)   0.0091(2)   0.0045(1)  -0.0011(1)   0.0006(1)   0.0002(1)  
 N2B     0.0063(1)   0.0085(2)   0.0053(1)  -0.0005(1)   0.0013(1)  -0.0003(1)  
 C1B     0.0050(1)   0.0079(2)   0.0045(1)  -0.0005(1)   0.0007(1)   0.0002(1)  
 C2B     0.0056(1)   0.0084(2)   0.0051(1)  -0.0010(1)   0.0011(1)   0.0003(1)  
 C3B     0.0045(1)   0.0077(2)   0.0055(1)  -0.0007(1)   0.0013(1)  -0.0004(1)  
 C4B     0.0054(1)   0.0103(2)   0.0057(1)  -0.0004(1)   0.0007(1)  -0.0008(1)