******************************************************************************
                             2007src0806 in P2(1)/c                              


 Fri Jul 06  2007 at 10:56:26  Sir2004 starts on:   2007src0                                                                                                                                                                                                     


 Used commands & directives:


           %data           Cell 11.936 17.285 21.441 90.000 92.581 90.000
                           Space P 1 21/c 1
                           Content C 232 H 244 D 4 B 8 N 8 Fe 8 Cl 12
                           Reflections 2007src0806.hkl
                           Format (3i4,2f8.0)
                           Fosquare

           %invariants     default

           %phase          default

           %end


 Files used in Sir2004:

  Channel                                  Name
     5    instruction input file           Sir2004.sir
     6    printer output file              Sir2004.lst
    30    direct access structure file     2007src0.bin
    31    direct access scratch file
    32    sequential scratch file 
    34    reflection input file            2007src0806.hkl
    41    scattering factors file          c:\program files\sir2004\sir2004dir\Sir2004.xen
          ( Release : 05.98 )



      Direct access structure file has been initialized





 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

 Sir2004 : Data routine                                         Release  01.00

                             2007src0806 in P2(1)/c                              
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++



 Direct cell:
         a =  11.936         b =  17.285         c =  21.441
     alpha =  90.000      beta =  92.581     gamma =  90.000

                   Cell volume =      4419.09

 Crystal family                             :  Monoclinic  

 Space group (centrosymmetric)              :  P 1 21/c 1      

 Symmetry-operations

   1)    x    ,   y    ,   z           2)   -x    ,   y+1/2,  -z+1/2          
   3)   -x    ,  -y    ,  -z           4)    x    ,  -y+1/2,   z+1/2          


 Seminvariant condition :  g g g              
                                                                              
 P-lattice: (0,0,0)                                                           

 Allowed origin translations:
        ( 0 , 0 , 0 )  (1/2, 0 , 0 )  ( 0 ,1/2, 0 )  ( 0 , 0 ,1/2)  
        ( 0 ,1/2,1/2)  (1/2, 0 ,1/2)  (1/2,1/2, 0 )  (1/2,1/2,1/2)  


 Space Group Number =   14

 Fourier limits   :  0.000 <   x   <  1.000
                     0.000 <   y   <  0.250
                     0.000 <   z   <  1.000

 Patterson limits :  0.000 <   x   <  0.500
                     0.000 <   y   <  0.500
                     0.000 <   z   <  1.000
  ************************************************************************
  *                                ERROR                                 *
  *                 Required form factor: d   not found                  *
  ************************************************************************