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    .81754   -.05488                                                        
 PD1     1  10.00000  10.00000  10.50000  10.50000    .04174                     
 PD2     1  10.00000  10.00000  10.00000  10.50000    .04204                     
 CR1     2    .37828    .24005    .81567  11.00000    .07628                     
 CR2     2    .70634    .24825    .71922  11.00000    .10717                     
 N1      4    .28693    .01097    .04816  11.00000  21.00000                     
 O1      3    .67340    .16343    .62239  11.00000  21.00000                     
 O2      3    .33998    .09602   -.19053  11.00000  21.00000                     
 BOND 1                                                                          
 FMAP 2                                                                          
 PLAN 10                                                                         
 GRID -4 -1 -2 4 1 2                                                             
 LIST 1 1                                                                        
 HKLF 3                                                                          

  1528 REFLEXIONS READ, OF WHICH    6 REJECTED

 END                                                                             

  [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       .0455
           .0000    .0000    .0000       .0000       .0009
0PD2       .0000    .0000    .0000       .5000       .0454
           .0000    .0000    .0000       .0000       .0009
0CR1       .3770    .2551    .8188      1.0000       .0980
           .0011    .0008    .0007       .0000       .0025
0CR2       .7064    .2592    .7228      1.0000       .1050
           .0012    .0008    .0008       .0000       .0027
0N1        .2878    .0139    .0481      1.0000      -.0552
           .0007    .0005    .0004       .0000       .0006
0O1        .6733    .1638    .6222      1.0000      -.0552
           .0006    .0004    .0004       .0000       .0006
0O2        .3409    .0999   -.1907      1.0000      -.0552
           .0006    .0004    .0004       .0000       .0006

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

 R =   .1090     RW =   .1090     RG =   .1538     RM =   .1538




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

 UNIT WEIGHTS



 [Pd(NH3)4]Cr2O7   P21/c                

 PD1   X/A =  .0000  Y/B =  .0000  Z/C =  .5000

 PD1   X/A =  .0000  Y/B =  .5000  Z/C =  .0000

 PD2   X/A =  .0000  Y/B =  .0000  Z/C =  .0000
 N1  ---PD2    2.161 (  .005 )  1,   .0000,   .0000,   .0000

 PD2   X/A =  .0000  Y/B =  .5000  Z/C =  .5000

 CR1   X/A =  .3770  Y/B =  .2551  Z/C =  .8188
 O2  ---CR1    1.817 (  .010 )  1,   .0000,   .0000, -1.0000

 CR1   X/A =  .6230  Y/B =  .7449  Z/C =  .1812

 CR1   X/A =  .6230  Y/B =  .7551  Z/C =  .6812

 CR1   X/A =  .3770  Y/B =  .2449  Z/C =  .3188

 CR2   X/A =  .7064  Y/B =  .2592  Z/C =  .7228
 O1  ---CR2    1.594 (  .010 )  1,   .0000,   .0000,   .0000

 CR2   X/A =  .2936  Y/B =  .7408  Z/C =  .2772

 CR2   X/A =  .2936  Y/B =  .7592  Z/C =  .7772

 CR2   X/A =  .7064  Y/B =  .2408  Z/C =  .2228

 N1    X/A =  .2878  Y/B =  .0139  Z/C =  .0481
 PD2 ---N1     2.161 (  .005 )  1,   .0000,   .0000,   .0000

 N1    X/A =  .7122  Y/B =  .9861  Z/C =  .9519
 PD2 ...N1     2.161           -1,   .0000,   .0000,   .0000

 N1    X/A =  .7122  Y/B =  .5139  Z/C =  .4519

 N1    X/A =  .2878  Y/B =  .4861  Z/C =  .5481

 O1    X/A =  .6733  Y/B =  .1638  Z/C =  .6222
 CR2 ---O1     1.594 (  .010 )  1,   .0000,   .0000,   .0000

 O1    X/A =  .3267  Y/B =  .8362  Z/C =  .3778

 O1    X/A =  .3267  Y/B =  .6638  Z/C =  .8778

 O1    X/A =  .6733  Y/B =  .3362  Z/C =  .1222

 O2    X/A =  .3409  Y/B =  .0999  Z/C =  .8093
 CR1 ---O2     1.817 (  .010 )  1,   .0000,   .0000,  1.0000

 O2    X/A =  .6591  Y/B =  .9001  Z/C =  .1907

 O2    X/A =  .6591  Y/B =  .5999  Z/C =  .6907

 O2    X/A =  .3409  Y/B =  .4001  Z/C =  .3093
1 DIFFERENCE MAP  1  FOR  [Pd(NH3)4]Cr2O7   P21/c                


 MAXIMUM =  132.72,  MINIMUM =  -79.80

 MULTIPLIED BY    52.1992          (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   CR1          .3770   .2551   .8188  1.0000    1        .00
    4   CR2          .7064   .2592   .7228  1.0000    0        .00
    5   N1           .2878   .0139   .0481  1.0000    0        .00
    6   O1           .6733   .1638   .6222  1.0000    0        .00
    7   O2           .3409   .0999   .8093  1.0000    1        .00
    8   Q  1  133.  -.0035   .0052   .3308  1.0000    0        .00
   10   Q  3  129.   .6244   .2477   .8202  1.0000    0        .00
   12   Q  5  126.   .0156   .0130   .1751  1.0000    0        .00
   14   Q  7  107.   .2663   .0010   .5500  1.0000    0        .00
   16   Q  9  102.   .3315   .2370   .4402  1.0000    0        .00
   17   Q 10   96.   .6558   .2326   .5519  1.0000    0        .00
   18   Q 11   90.   .3175   .2418   .1872  1.0000    0        .00
   19   Q 12   82.   .9192   .2334   .7679  1.0000    0        .00
   20   Q 13   75.   .9692   .1901   .7390  1.0000    0        .00
   21   Q 14   75.   .4298   .1460   .8561  1.0000    1        .00


 BONDS (INCLUDING SYMMETRY RELATED ATOMS)

      6- 17  1.13     19- 20   .77      3- 21  1.36      7- 21   .93