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=1.52731991 (1.5194)
B2=1.52911619 (1.5211)
B3=1.09725271 (1.094)
B4=1.09543601 (1.093)
B5=1.09534985 (1.092)
B6=1.09441204 (1.0915)
B7=1.09338128 (1.090)
B8=1.09284365 (1.089)
B9=1.09508392 (1.091)
B10=1.50821055 (1.5015)
B11=1.79800939 (1.8031)
B12=1.19308465 (1.1847)
A1=112.58765289
A2=111.90042508
A3=111.59180593
A4=107.85221929
A5=109.25555538
A6=110.84289642
A7=111.11600405
A8=110.58070096
A9=112.79538804
A10=111.95988427
A11=127.51177498
D1=-170.87104248
D2=-52.0745665
D3=121.12384504
D4=-122.70797691
D5=178.1817748
D6=-61.89123616
D7=58.54145528
D8=69.86922575
D9=-171.45639206
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=1.52443402 (1.5194)
B2=1.52635386 (1.5211)
B3=1.09560952 (1.094)
B4=1.09387482 (1.093)
B5=1.09352949 (1.092)
B6=1.09281129 (1.0915)
B7=1.09137387 (1.090)
B8=1.09117999 (1.089)
B9=1.09318388 (1.091)
B10=1.50261827 (1.5015)
B11=1.82030959 (1.8031)
B12=1.18990881 (1.1847)
A1=112.59865204
A2=112.04959604
A3=111.87628735
A4=107.89770294
A5=109.24115012
A6=110.93318918
A7=111.13951682
A8=110.72315164
A9=112.74246504
A10=111.72025933
A11=127.98311814
D1=-170.60081625
D2=-51.76050209
D3=121.31426171
D4=-122.73908248
D5=178.53642472
D6=-61.51891658
D7=58.87791497
D8=70.00945042
D9=-172.24515489
D10=9.1325455