1
 TITL [Pd(NH3)4]Cr2O7   P21/c                                                    
 CELL 1.5418 7.7692  11.5738  11.8505  90.0 105.468  90.0                        
 LATT 1                                                                          
 SYMM -X,0.5+Y,0.5-Z                                                             
 SFAC PD 19.3319 0.698655 15.5017 7.98929 5.29537 25.2052 =                      
         0.605844 76.8986 5.26593 0.1215 3.9337 0. 0.7                           
 SFAC CR 10.6406 6.1038 7.3537 0.392 3.324 20.2626 1.4922 =                      
         98.7399 1.1832 -0.1635 2.4439 0. 0.3                                    
 SFAC O N H                                                                      
 UNIT 4 8 28 16 48                                                               

 V = 1026.99    F(000) =  759.95    MU =   10.04

 MERG 2                                                                          
 L.S. 4                                                                          
 FVAR 1.                                                                         
 PD1   1  10.0000  10.0000  10.5000 10.500000  0.015                             
 PD2   1  10.0000  10.0000  10.0000 10.500000  0.015                             
 BOND 1                                                                          
 FMAP 2                                                                          
 PLAN 10                                                                         
 GRID -4 -1 -2 4 1 2                                                             
 LIST 1 1                                                                        
 HKLF 3                                                                          

   137 REFLEXIONS READ, OF WHICH    0 REJECTED

 END                                                                             
1SORT-MERGE FOR  [Pd(NH3)4]Cr2O7   P21/c                


 INCONSISTENCIES

   H   K   L   ESD/F  SIGMA/F   N



    137 UNIQUE REFLEXIONS, R =   .0000


 OVERALL SCALE     1.50290          ESTIMATED U =  .076


 SIN(THETA)/LAMBDA  .00    .07    .14    .21    .28    .35    .42    .49    .56    .63    .70    .77    .84    .91    .98

 R.M.S.(E)         .210   .923   .995   .997   .999  1.011  1.051  1.000   .000   .000   .000   .000   .000   .000   .000

 MEAN ABS(E*E-1)   .922  1.153  1.305  1.108   .793   .733   .860   .962   .000   .000   .000   .000   .000   .000   .000

 EFFECTIVE N         .2    9.6   25.3   37.3   27.2   15.2   13.1    9.1     .0     .0     .0     .0     .0     .0     .0




 RESIDUALS BEFORE CYCLE   1 FOR  [Pd(NH3)4]Cr2O7   P21/c                

 R =   .6588     RW =   .6588     RG =   .6338     RM =   .6196




  [Pd(NH3)4]Cr2O7   P21/c                


 ATOM      X/A      Y/B      Z/C          K          U11      U22      U33      U23      U13      U12

0PD1       .0000    .0000    .5000       .5000       .0835
           .0000    .0000    .0000       .0000       .0413
0PD2       .0000    .0000    .0000       .5000       .0001
           .0000    .0000    .0000       .0000       .0191



 RESIDUALS BEFORE CYCLE   5 FOR  [Pd(NH3)4]Cr2O7   P21/c                

 R =   .6180     RW =   .6180     RG =   .6058     RM =   .6058




 RESIDUALS BEFORE CYCLE   5 FOR  [Pd(NH3)4]Cr2O7   P21/c                

1 DIFFERENCE MAP  1  FOR  [Pd(NH3)4]Cr2O7   P21/c                


 MAXIMUM =  510.79,  MINIMUM = -199.43

 MULTIPLIED BY   101.0084          (SCAN  2)




      ATOM HEIGHT   X/A     Y/B     Z/C   S.O.F. MOLECULE ELEVATION

    1   PD1          .0000   .0000   .5000   .5000    0        .00
    2   PD2          .0000   .0000   .0000   .5000    0        .00
    3   Q  1  511.  1.3434   .2496   .8156  1.0000    1       1.40
    4   Q  2  511.   .3434   .2496   .8156  **  .000 FROM   3
    5   Q  3  511.   .6566   .2504   .6844  1.0000    1        .00
    6   Q  4  511.   .6566   .2496   .1844  **  .000 FROM   5
    7   Q  5  204.   .2907   .0000   .5571  1.0000    0        .00
    8   Q  6  204.   .7093   .0000   .4429  **  .000 FROM   7
    9   Q  7  198.   .9192   .2418   .7568  1.0000    1        .76
   10   Q  8  198.  1.0808   .2582   .7432  1.0000    1        .65
   11   Q  9  174.  1.3252   .0716   .8025  1.0000    1        .70
   12   Q 10  174.   .6748   .4284   .6975  1.0000    1        .70
   13   Q 11  155.   .4925   .2513   .7469  1.0000    1        .70

 BONDS (INCLUDING SYMMETRY RELATED ATOMS)

      1-  7  2.18      1-  7  2.18      5-  9  1.99      3- 10  1.99      9- 10  1.32      3- 11  2.07     11- 12  1.66

      5- 12  2.07      3- 13  1.58      5- 13  1.64
1  OBSERVED AND CALCULATED STRUCTURE FACTORS FOR  [Pd(NH3)4]Cr2O7   P21/c                                                PAGE  1

   H  K  L   FO   FC   S     H  K  L   FO   FC   S     H  K  L   FO   FC   S     H  K  L   FO   FC   S     H  K  L   FO   FC   S  

   1  0  0   79  177   2    -1  5  1   11   21   3     2  4  2   93  115   3    -3  1  4   29    0   4    -7  2  6   20   59   8
   2  0  0   71  157   3     1  5  1   35   21   4     5  4  2   61   72   9     0  1  4   20    0   3    -3  2  6   53   99   4
   3  0  0  404  132   4     2  5  1   51   25   2     2  5  2   63    0   3     2  1  4   52    0   5     0  3  6   38    0   5
   1  1  0   27    0   3     1  6  1   74    0   2     3  5  2   77    0   3    -5  2  4  112   86   6     1  5  6   47    0   4
   2  1  0   57    0   2     2  7  1   69   31   5    -1  6  2  110  106   4    -3  2  4   81  116   4     4  5  6   23    0   7
   3  1  0   51    0   4     3  9  1    2   37   2     0  6  2  173  106   4    -2  2  4  144  129   3    -2  1  7   77   29   4
   0  2  0   23  172   4    -5  0  2  143   92   5     1  6  2   45  102   3    -1  2  4   85  136   3    -2  2  7   77    0   3
   1  2  0  241  165   2    -3  0  2   61  134   2    -1  7  2   41    0   6     0  2  4   94  134   2    -1  2  7   41    0   6
   2  2  0  187  147   3    -2  0  2  305  155   3    -7  1  3   25   37   7     1  2  4   79  125   3    -1  3  7   28   30   2
   3  3  0   48    0   3    -1  0  2  129  169   2    -2  1  3   33   13   3    -1  3  4   35    0   1    -6  4  7   16    0   4
   0  4  0  296  142   4     0  0  2   18  171   4    -1  1  3   40   10   1     1  3  4   58    0   4    -3  5  7   58   34   8
   1  4  0   97  138   3     1  0  2  272  160   2     0  1  3   34   10   0     3  3  4   50    0   3    -1  6  7   11    0   9
   1  5  0   11    0   4     3  0  2  112  118   5     1  1  3    4   13   0    -3  4  4   99  102   5    -3  0  8   38   83   7
  -2  1  1   20    9   1    -3  1  2  155    0   2    -3  2  3   14    0   6    -1  4  4  151  117   4     0  0  8   73   84   7
  -1  1  1    5    4   5     0  1  2   17    0   1    -2  2  3   59    0   3     0  4  4  143  116   4     2  0  8   92   72  16
   0  1  1    0    2   0     1  1  2   79    0   2    -3  3  3   30   23   2     2  4  4  108   98   5    -2  3  8   65    0   5
   1  1  1   10    5   2     2  1  2   24    0   2    -2  3  3   12   18   2     3  8  4   27   63   7     1  3  8   52    0   8
  -3  2  1   35    0   2     3  1  2   52    0   1     0  3  3   36   15   1     0  1  5   16   20   3     0  7  8   53    0  15
  -2  2  1   24    0   3    -3  2  2  179  127   3    -1  4  3   27    0   2    -2  2  5   44    0   3    -5  1  9    9   37   9
  -1  2  1   15    0   1    -2  2  2    2  146   1     0  4  3   37    0   3     1  2  5   50    0   3    -1  1  9   33   34   7
   0  2  1   39    0   2    -1  2  2  156  158   2     1  4  3   32    0   6     2  2  5   48    0   4    -2  3  9    9   35   2
   1  2  1   78    0   1     0  2  2  285  160   2    -2  5  3   42   25   2    -2  3  5   33   24   2    -2  4  9   24    0   6
   2  2  1   50    0   2    -1  3  2    8    0   1    -2  6  3   65    0   6    -2  4  5   49    0   6     0  1 10   60    0   9
  -2  3  1   16   15   1     1  3  2   60    0   3    -2  9  3   26   36   7     0  6  5   45    0   4    -1  2 10   73   67   8
  -1  3  1    9   11   3    -5  4  2  120   81   6    -1  0  4  283  143   4    -5  8  5   55    0  20    -3  4 10   69   62  14
   0  3  1   32   10   1    -2  4  2  115  124   3     1  0  4   63  131   4    -7  0  6   78   60  17     0  4 10   53   61  13
   2  3  1   28   17   1    -1  4  2  137  133   3     2  0  4  166  115   4     0  1  6   60    0   3    -3  5 10    5    0   2
  -2  5  1   34   23   3     0  4  2   41  135   3
1
1 [Pd(NH3)4]Cr2O7   P21/c                


 DEVIATIONS GREATER THAN 2 SIGMA

   H   K   L     FO      FC   D/SIGMA

   3   0   0  403.90  132.88    4.58
   0   2   0   22.92  172.26    2.52
   0   4   0  296.09  143.08    2.58
  -2   0   2  304.71  155.47    2.52
   0   0   2   18.00  171.94    2.60
  -3   1   2  154.92     .00    2.62
  -2   2   2    2.20  146.53    2.44
   0   2   2  285.16  160.93    2.10
  -1   0   4  282.77  144.14    2.34
1ANALYSIS OF VARIANCE FOR [Pd(NH3)4]Cr2O7   P21/c                


                   GGG    UGG    GUG    UUG    GGU    UGU    GUU    UUU    ALL

        N           20     31     12     18     13     11     18     14    137

        V         8845   7181   4787   5914   4739   4490   2092   1717   5858



 SIN THETA     0.00 -  .20 -  .25 -  .29 -  .33 -  .37 -  .41 -  .47 -  .55 -  .67 -  .76

        N           16     12     13     14     14     14     15     12     13     14

        V         7899   6024   7683   9495   2904   3803   4898   4705   3207   3360



 SQRT(F/FMAX)  0.00 -  .17 -  .24 -  .29 -  .32 -  .36 -  .39 -  .43 -  .49 -  .60 - 1.00

        N           14     13     18     13     16     13     10     14     12     14

        V         4150   6184   2095   4233   4732   5203   5616   5788   2503  12192



         ABS(H)      0      1      2      3      4      5      6      7      8      9     10     11     12     13    REST

        N           24     42     37     23      1      6      1      3      0      0      0      0      0      0      0

        V         7050   5015   5224   7597   2282   3804   1596   2605      0      0      0      0      0      0      0



         ABS(K)      0      1      2      3      4      5      6      7      8      9     10     11     12     13    REST

        N           17     26     29     19     20     12      7      3      2      2      0      0      0      0      0

        V        10516   4687   6190   3515   4729   3493   5271   4422   4673   2596      0      0      0      0      0



         ABS(L)      0      1      2      3      4      5      6      7      8      9     10     11     12     13    REST

        N           13     21     30     16     20      8      7      7      6      4      5      0      0      0      0

        V        10894   3234   7637   2961   4963   4241   4118   3943   4575   2291   2747      0      0      0      0