?BAWGEL
#ADATE 820705
#COMPND bis(Benzene)-chromium bromide
#FORMUL C12 H12 Cr1 1+,Br1 1-
#AUTHOR A.L.Spek,A.J.M.Duisenberg
#JRNL 189,10,1531,1981
#CREF msdb 14.74.003 nbsid 532193 batch 53 cdvol 6
#CLASS 1/74
#SYSCAT sys O cat 3
#CONN El= Cr 2 Br 14 V= 1 2 Ch= + 2 Ch= - 14
Res= Plot= 1 B= 5 1-3 1-4 3-6 4-7 5-8 5-9 6-10 7-10 8-11 9-12 11-13 12-13
 B= 9 1-2-5
Res= Plot= 1 14
#DIAGRAM
   469   151   374   202   469   248   554   103   272   248   556   299
   640   152   186   296   272   151   640   250   101   247   185   100
   100   149   100    50     0     0     0     0     0     0     0     0
#CELL a 9.753(6) b 9.316(3) c 11.941(8) z 4 cent 1 sg Fmmm
#SYMM  x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
-x,y,z
-x,1/2+y,1/2+z
1/2-x,y,1/2+z
1/2-x,1/2+y,z
x,-y,z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2+x,1/2-y,z
-x,-y,z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
#DENSITY dx 1.764
#UNIS int 3 sigcc 3
#RFACT R= 0.0540.
#RADIUS C  0.68 H  0.23 Br 1.21 Cr 1.35
#TOLER 0.40
#ATOM Cr1 0.0 0.0 0.0
Br1 0.0 0.0 0.50000
C1 0.06900 0.12800 0.13400
C2 0.13900 0.0 0.13400
H1 0.09300 0.20400 0.12500
H2 0.19800 0.0 0.13000
#BOND Cr1 C1 2.100
Cr1 C2 2.090
C1 C1* 1.340
C1 C2 1.370
C1 H1 0.760
C2 H2 0.580
#MDATE  901205
#END