COMMENT ⊗ VALID 00004 PAGES
C REC PAGE DESCRIPTION
C00001 00001
C00002 00002 ~|~~M0FIX13X~M1NGB25~F0
C00005 00003 N
C00010 00004 FIGURE 11
C00015 ENDMK
C⊗;
~|~~M0FIX13X;~M1NGB25;~F0
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~F11~F0
~←.~→A
~←.~→B
~←.~→C
2 4 7 1 4 2
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1 3 5 2 8 9 5 3 1
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10 8 6 3 4 5 6 8 10
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9 7 6 10 7 9
~←A~→.~F12a ~←B~→.2b ~←C~→.2c ~F0
2 4 9 7 4 2
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N1 3 5N N10 8 6N N 3 1N
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10 8 6 1 3 5 6 8 10
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9 7 2 4 7 9
~←A~→.~F13a ~←B~→.3b ~←C~→.3c ~F0
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+ & +
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+ & +
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~F15~F0
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N ⊗ ⊗ ⊗ ⊗ ⊗ ⊗ N ⊗
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~←A~→.~F16a ~←B~→.6b ~←C~→.6c ~F0
~←.~→α
~←.~→β
~←.~→ε
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N ⊗ ⊗ ⊗ ⊗ ⊗ ⊗ N ⊗
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~F1~←α~→.7a1 ~←β~→.7a2 ~←.~→.7a3 ~F0
B ⊗ ⊗ ⊗ ⊗ ⊗
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⊗ N ⊗ B N ⊗ ⊗ N ⊗
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⊗ ⊗ ⊗ ⊗ ⊗ ⊗ B ⊗ ⊗
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~F1~←α~→.7b1 ~←β~→.7b2 ~←.~→.7b3 ~F0
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⊗ N ⊗ ⊗ N ⊗
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⊗ ⊗ ⊗ ⊗ B ⊗
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B ⊗ ⊗ ⊗
~F1~←α~→.7b4 ~←β~→.7b5 ~F0
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N ⊗ ⊗
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~F18 ~F0
~←.~→A
~←.~→B
~←.~→C
~←.~→D
⊗ ⊗ ⊗ ⊗ N ⊗ ⊗ N
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N ⊗ ⊗ N ⊗ ⊗ N ⊗ ⊗ N ⊗ ⊗
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⊗ N N ⊗ ⊗ ⊗ ⊗ ⊗
~F1 ~←A~→.9a ~←B~→.9b ~←C~→.9c ~←D~→.9d ~F0
FIGURE 11
C↓6N↓6O↓4S↓4 The pot of atoms
Taking combinations of
6 atoms
e.g. C↓4S↓2 76 combinations possible
65 are valid for D.A. Rings
Labelling Step
C C C C 4 Rings generated
/ \ / \ / \ / \ from the example
C S C C C S C C C4S2
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C S C S C C C C
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C S S S
A total of 1176 rings generated from all the
65 combinations of 6 atoms taken from C6N6O4S4
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1 =C,C,O,O.
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C 2
" |
C 3 (Fig. 12)
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4
Group is i,r, where
(1 2 3 4) = i
(4 3 2 1) = r
orbits A1 = (1 4)
A2 = (2 3)
Case Assignment to orbit A1 Remaining Labels
1 C C S S
2 C S C S
3 S S C C
Case 1 C,C --> (1 4)
then S,S --> (2 3) 1 Labelling
(C S S C)
Case 2 C,S --> (1 4)
C --> 1
S --> 4
reduced group is i
C,S --> 2 3 2 labellings
C --> 2 & S --> 3 (C C S S)
S --> 2 & C --> 3 (C S C S)
Case 3 S,S --> (1 4) 1 labelling
then C,C --> (2 3) (S C C S)
Total of 4 possible labellings.
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1
Octahedral
Skeletal 6 2
Framework
5 3
4
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