Crystal Structure Information.

 CSD Reference Code: BAWNIW01

 Crystal System: Monoclinic                                                                      

 Space Group No:   4   Space Group: P21     

 No. of atoms per molecule:  14

 No of molecules per unit cell:   0

 Year of publication: 19 0

 Other Information


                                                                               R
                                                                               =
                                                                               0
                                                                               .
                                                                               0
                                                                               0
                                                                               0
                                                                               0
                                                                                
                                                                               C
                                                                               R
                                                                               E
                                                                               A
                                                                               T
                                                                               E
                                                                               D
                                                                                
                                                                               B
                                                                               Y
                                                                                
                                                                               W
                                                                               M
                                                                               I
                                                                               N
                                                                               2
                                                                               F
                                                                               D
                                                                               A
                                                                               T
                                                                                
                                                                                
                                                                               K
                                                                               .
                                                                               S
                                                                               .
                                                                               W
                                                                               I
                                                                               B
                                                                               L
                                                                               E
                                                                               Y
                                                                                
                                                                               1
                                                                               9
                                                                               9
                                                                               5
                                                                                
                                                                                
                                                                                
                                                                                
                                                                                
                                                                                
                                                                                

 Unit Cell Parameters (Angstroms and Degrees)

 a= 8.695 b= 6.029 c= 9.252  alpha= 90.00 beta=116.13 gamma= 90.00

 Crystaldataraphic Coordinates of atoms in asymmetric unit cell
 Label              x/a      y/b      z/c

  CLR1           0.60474   0.00000   0.05645
  CLR2           0.44232   0.00000   0.55307
  CLR3           0.05165   0.00000   0.31303
  CLR4          -0.05658   0.00000  -0.05801
  NIT1           0.18755   0.00000  -0.28595
  NIT2           0.82226   0.00000   0.49149
  CAR1           0.27943   0.00000   0.01946
  CAR2           0.45225   0.00000   0.12720
  CAR3           0.50198   0.00000   0.29204
  CAR4           0.37764   0.00000   0.34888
  CAR5           0.20435   0.00000   0.24220
  CAR6           0.15609   0.00000   0.07752
  CAR7           0.22802   0.00000  -0.15143
  CAR8           0.68129   0.00000   0.40360