structure. ~re bond lengths are given in parentheses.
C
C,1,B1
C,2,B2,1,A1
H,1,B3,2,A2,3,D1,0
H,1,B4,2,A3,3,D2,0
H,2,B5,1,A4,3,D3,0
H,2,B6,1,A5,3,D4,0
H,3,B7,2,A6,1,D5,0
H,3,B8,2,A7,1,D6,0
H,3,B9,2,A8,1,D7,0
C,1,B10,2,A9,3,D8,0
Cl,11,B11,1,A10,2,D9,0
O,11,B12,1,A11,2,D10,0
Variables:
B1=1.52536976 (1.5176)
B2=1.52835634 (1.5204)
B3=1.09662174 (1.094)
B4=1.09662174 (1.094)
B5=1.09448299 (1.0915)
B6=1.09448299 (1.0915)
B7=1.09328844 (1.090)
B8=1.09460927 (1.091)
B9=1.09460927 (1.091)
B10=1.50633108 (1.4997)
B11=1.79861474 (1.8038)
B12=1.19283505 (1.1845)
A1=111.35972675
A2=111.56289954
A3=111.56289954
A4=109.12632414
A5=109.12632414
A6=110.96087782
A7=110.93744223
A8=110.93744223
A9=112.82495096
A10=111.95121325
A11=127.44999024
D1=-59.14600589
D2=59.14600589
D3=121.96812648
D4=-121.96812648
D5=180.
D6=-59.98343763
D7=59.98343763
D8=180.
D9=180.
D10=0.
structure. ~re bond lengths are given in parentheses.
C
C,1,B1
C,2,B2,1,A1
H,1,B3,2,A2,3,D1,0
H,1,B4,2,A3,3,D2,0
H,2,B5,1,A4,3,D3,0
H,2,B6,1,A5,3,D4,0
H,3,B7,2,A6,1,D5,0
H,3,B8,2,A7,1,D6,0
H,3,B9,2,A8,1,D7,0
C,1,B10,2,A9,3,D8,0
Cl,11,B11,1,A10,2,D9,0
O,11,B12,1,A11,2,D10,0
Variables:
B1=1.52220489 (1.5176)
B2=1.52550222 (1.5204)
B3=1.0951278 (1.094)
B4=1.0951278 (1.094)
B5=1.09276317 (1.0915)
B6=1.09276317 (1.0915)
B7=1.09113612 (1.090)
B8=1.09267097 (1.091)
B9=1.09267097 (1.091)
B10=1.50026375 (1.4997)
B11=1.82106774 (1.8038)
B12=1.18987902 (1.1845)
A1=111.17343927
A2=111.73993858
A3=111.73993858
A4=109.23193686
A5=109.23193686
A6=111.03877142
A7=111.03926552
A8=111.03926552
A9=112.8346055
A10=111.75114574
A11=127.90170879
D1=-59.09739087
D2=59.09739087
D3=122.01682871
D4=-122.01682871
D5=180.
D6=-59.99129313
D7=59.99129313
D8=180.
D9=180.
D10=0.