C14H8S4Cu(NCS)2
Watson W H, Kashyap R P
Acta Crystallographica C46 (1990) 2312-2316
Structures of two dibenzotetrathiafulvalene (DBTTF) salts:
(DBTTF)Cu(NCS)2 and a redetermination of (DBTTF)I3
Sample: Compound 2
_database_code_amcsd 0010225
8.390 9.667 12.699 95.07 108.25 112.50 P-1
atom       x      y     z Uiso
Cu     .3472 -.4606 .5686 .058
N      .5654 -.4058 .6860 .044
C      .6843 -.3617 .7725 .064
S      .8552 -.2935 .8938 .071
N'     .1402 -.5250 .4404 .048
C'     .0097 -.5644 .3602 .048
S'    -.1949 -.6258 .2596 .046
C1     .9291  .0465 .6074 .023
S2     .9727 -.0762 .6894 .031
C3     .1714  .0663 .7969 .019
C4     .2725  .0366 .8876 .057
C5     .4314  .1562 .9701 .039
C6     .4940  .3039 .9464 .051
C7     .3836  .3376 .8524 .042
C8     .2232  .2118 .7763 .027
S9     .0811  .2359 .6536 .034
C10    .7682 -.0056 .5083 .025
S11    .7288  .1181 .4286 .031
C12    .5197 -.0199 .3313 .040
C13    .4030  .0135 .2343 .039
C14    .2363 -.0972 .1662 .043
C15    .1843 -.2521 .1759 .045
C16    .2974 -.2889 .2631 .028
C17    .4590 -.1678 .3454 .043
S18    .6109 -.1964 .4600 .033