Electrocrystallization of BEDT-TIF in THF with tetrabutylammonium nitrate as supporting electrolyte leads to the deposition of at least three different phases. Sheets of BEDT-TTF radical cations with short intermolecular S···S contacts (>3.315(4) A) are separated by anion layers. Two more BEDT-TrF nitrates have been characterized by their unit cell data. Resuhs of temperature dependent electrical conductivity and thermopower measurements on crystals of the a-phase are presented. They are metallic down to about 30 K

Bender, Klaus

Endres, Helmut

Gogu, Emil

Heinen, Ilsabe

Keller, Heimo J.

Schweitzer, Dieter

Weber, Angelika

Online Publikationen der Universität Stuttgart

Preparation, Structure and Physical Properties of BEDT· TIP Nitrates 
A. Weber, H. Endres, and H. J . Keller+ 
Anorganisch-Chemisches Institut der Universitat Hcidelberg, 
Im Neuenheimer Feld 270. 0-6900 Heidelberg 1. FRG 
E. Gogu, I. Heinen, K. Bender, and D . Schweitzer 
Abt. "fur Molekulare Physik. Max-Planck-Institut tilr Medizinische Forschung, 
lahnstraBe 29, 0-6900 Heidelberg I, FRG 
Z. Naturforsch. 4Ob, 1658-1663 (\9&5); received July 30,19&5 
Structure. Radical Ion Salts. Organic Conductors 
Electrocrystallization of BEDT·TIF in 1lIF with tetrabutylammonium nitrate as supporting 
electrolyte leads to the deposition of at least three different phases. 
The a-phase (Cu,l-lsSa),(NO')2. Mr = 1277.98, crystallizes in the monoclinic space group 
P211n. The structure of this solid was solved: a = 5.890(2), b - 31.125(1O}, c "" 12.915(6) A. f3 = 103.73(3)°, V "'" 2300 A3, Z - 2, Dz "" 1.84 gcm- J , MoK... A. = 0.7107 A, ~ = 11.2 cm- I, 
F(OOO) "" 1300. room temperature. R = 0.057 for 1888 observed independent reflections. Sheets 
of BEDT-TTF radical cations with shon intermolecular 5···5 contacts (>3.315(4) A) are sepa-
rated by anion layers. Two more BEDT-TrF nitrates have been characterized by their unit cell 
data. Resuhs of temperature dependent electrical conductivity and thermopower measurements 
on crystals of the a-phase are presented. They are metallic down to about 30 K. 
Introduction 
At this time BEDT-1TF is the most promising 
donor in the search for new metallic or even super-
conducting radical ion salts. The first report of a 
superconducting phase containing (BEDT-TfF) + cat-
ions was concerned with the ReO" - salt [1]. Later on 
superconducting phases of BEDT-1TF have been 
obtained mainly with linear triatomic counter anions 
like different tribalides (e.g. 13-, or BrI:z -) and 
(Aul,)- [2-8] . There is a problem connected with 
the electrocrystallization of the trihalide compounds. 
The primary reaction is the oxidation of the iodine 
containing trihalides leading to rearrangement - e.g. 
symmetrization - reactions in the counter ions (9]. 
We, therefore , used tetrabutylammonium nitrate as 
a supporting electrolyte and report in the follOwing 
the structure and properties of the products obtained 
during the eJectrochemical oxidation of BEDT4TIF 
in the presence of NO) - as counterions. 
Experimental 
Preparation 
Tetrabutylammonium nitrate was purchased from 
Fluka and recrystallized several times from small 
amounts of benzene. BEDT· TIF was obtained as 
• BEDT-1TF - C1oHaS. == Bis( I,2-ethylenedithiolo). 
terrathiafulvalene . 
• Reprint requests to Prof. Or. H. J . Keller. 
Verlag der Zeitschrift fUr Naturforschung, D-7400TGbingen 
034O-5087/85/1200-16581S 01.00/0 
described earlier [10, il}. The electrolyte solution in 
TI-lF was saturated at about 60-70 °C with the 
donor BEDT-TfF and electrolyzed in an arrange-
ment described earlier {12, 131. Galvanoslatic as well 
as potentiostatic electrolyses (-1.8 V ; 5-15 pA) 
were carried out. 
As apparent from microscopic investigations, dif-
ferent types of crystals are obtained by these elec-
trocrystallizations. Nevertheless. quite consistent 
values of the elemental analysis result if different 
badges of the products are analyzed. 
Typical observed values for different mixtures of 
the crystals were: 
C: 27.98%-28.86%; H: 1.56%- 1.86%; 
N: 2.00%- 2.12%; S: 60.65%-63.28%. 
Calculated for (BEDT-TTF),(NO,h. C.,H"s"N,O,: 
C: 28.19%; H: 1.89%; N: 2.19%; S: 60.20%. 
This result points to the fact that different modifi-
cations of the same stoichiometry are isolated. 
Single crystal Weissenberg and diffractometer in-
vestigations revealed the occurrence of three phases. 
Besides the a -phase described in detail below. two 
more monoclinic phases have been identified: 
p-phase: 
a - 6.529(1) A. b - 12.379(4) A. c = 
28.487(11) A. P _ 95.01(3)'. V = 2294 A'; 
space group P2 t/c . 
r-phase: 
a = 15.035(6) A. b _ 6.584(2) A. c = 
30.900(15) A. P = 101.64(4)". V = 2996 A'; 
space group P21/n. 
A. Weber tt al . . Physical Properties ofBEOT-TIF Nitrates 
This paper is concerned with the investigation of 
the a-phase only. 
Physical investigations 
The electrical conductivity of the nitrate phases 
was measured by the standard four probe method 
witb dc and a low frequency (4-10 Hz) lock-in-
technique in the temperature range between 1.3 and 
300 K. Gold leads (0.015 mm diameter) were at-
tached to the samples with silver or gold paint on 
previously deposited gold pads, yielding contact re-
sistencies of a few ohms. Both dc and ac methods 
gave identical results. 
Thermopower measurements were perfonned in 
the temperature range between 10 and 300 K with a 
device similar to that described in the literature [14]. 
X-ray investigation of the a-phase 
A black elongated plate, 0.28 x 0.1 x 
0.015 mm3 was mounted on top of a gJass capillary. 
Lattice parameters were derived from the setting 
angles of 25 reflections (Syntex R3 diffractometer, 
monochromated MoKa radiation) . Data collection 
by 8-28 scans background-peak-background, 
2 (J < 50", yielded 1888 observed independeJ;lt re-
flections with 1>2.50(1). An empirical absorption 
correction using lP-scans of five reflections with 
10.6" < 28 < 35.6° was applied. 
The structure was solved by direct methods and 
Fourier syntheses. The methylene groups were re-
fined as rigid groups with calculated H positions. 
Non-H atoms were refmed with anisotropic temper-
ature factors (280 parameters) by cascade matrix 
least squares based on F, with weights w = lIa'-(F) . 
Refinement converged with R.(R) = 0.049 (0.057). 
a goodness of fit of 1.59 and max. shift/error of O.OS. 
The largest features in a final difference Fourier map 
were +0.47 and - 0.43 eA -3 . 
5181 
5(41 5121 
Sll2il 
1659 
Calculations were performed with the SHELX1L 
program package 115] on a Nova 3 computer using 
scattering factors, including anomalous dispersion , 
from International Tables for X-ray CrystaUography 
[16]. Plots were done on a Tektronix plotter with 
SHELX1L. 
Discussion 
Structure 
Atom coordinates are listed in Table I·. Fig. 1 
shows the numbering scheme in the two crystallo-
graphically different BEDT-TfF species, bond dis-
tances and angles are listed in Table n. Species (I), 
S(l)-C(lO), lies on a general position, species (0), 
S(9)-C(lS) , on a crystallographic inversion center, 
and the nitrate ion on a general position. The 
BEDT-17F moieties are arranged side by side to 
form a ribbon extending along the direction 
(-2,0,1 (Fig. 2», were two species (I) alternate 
with one species (D). Pronounced intennolecular 
S .. ·S interactions occur, with distances as short as 
3.315(5) A. These range within the shortest ones 
ever observed in BEDT-TfF salts and are important 
for the physical properties. Otber prominent S .. ·S 
contacts are formed between tbe molecules of adja-
cent ribbons related by a unit translation a (Fig. 3) . 
These intra- and inter-ribbon interactions result in 
the formation of sheets of BEDT-TfF and lead to 
• Lists of structure amplitudes, anisotropic thermal para-
meters, and further details of the X-ray investigations 
have been deposited with the Fachinformationszentrum 
Energie . Physik, Mathematik, 0-7514 Eggenstein-
Leopoldshafen 2, FRG. Copies may be obtained quoting 
the deposition number CSD 51600, the authors, and the 
journal reference. 
5(SI 
5 (111 
sl10n 5(91 
CI81 C(SI CI41 C 1101 
Cl15il C 113i) C(121 C (141 
COli! CIll) 
C(71 5(31 5111 C(91 
C (1'0 5171 CI51 C(31 5(51 C (151 
C "20 S/90 51101 
C(13) 
S (l1i) 5(121 
Fig. 1. Numbering scheme in the two crystallographicaUy different BEDT-TTF moieties. Upper numbers refer to 
molecule (I), lower ones to molecule (11). Symmetry code i: - .1", -y, 2-z. 
1660 
Table I. Atom coordinates (xtO") and isotropic tempera-
ture factors (A2x 10:') equivalent to the refined anisotropic 
values and defined as 1/3 of the trace of the orthogonalized 
V'i tensor. 
Atom x 
5(1) 1973(4) 
5(2) 5108(4) 
5(3) - 93(4) 
5(4) 3268(4) 
5(5) 3594(5) 
5(6) 7282(4) 
5(7) -1805(4) 
5(8) 2238(4) 
C(I) 2977(14) 
C(2) 2151(14) 
C(3) 3844(14) 
C(4) 5292(13) 
C(5) 63(13) 
C(6) 1656(13) 
C(1) -1208(21) 
C(8) m(25) 
C(9) 5087(19) 
C(lO) 6958(24) 
5(9) -2502(4) 
5(10) 814(4) 
5(11) -4258(4) 
5(12) - 363(4) 
C(II) - 334(14) 
C(12) -2354(13) 
C(13) - 848(13) 
C(14) -424O(14) 
C(15) - 1789(14) 
N(I) 9327(16) 
0(1) 9372(13) 
0(2) 11173(12) 
0(3) 7483(13) 
y 
- 200(1) 
- 113(1) 
741(1) 
872(1) 
- 1062(1) 
- 962(1) 
1630(1) 
1793(1) 
122(3) 
526(3) 
- 637(3) 
- 586(3) 
1261(3) 
1321(3) 
2106(3) 
2152(3) 
- 1469(3) 
-1397(4) 
450(1) 
534(1) 
1332(1) 
1434(1) 
203(2) 
947(3) 
990(3) 
1734(3) 
1854(3) 
2301(3) 
2151(2) 
2333(2) 
2428(3) 
z 
4086(2) 
2650(2) 
3445(2) 
2134(2) 
4854(2) 
3118(2) 
3318(2) 
1742(2) 
3193(7) 
2940(6) 
4041(7) 
3368(6) 
2957(6) 
2344(7) 
2677(10) 
2236(12) 
4338(11) 
3920(10) 
10407(2) 
9056(2) 
10110(2) 
8442(2) 
9894(7) 
9810(6) 
9181(1) 
9110(7) 
8995(7) 
5702(8) 
6588(7) 
5369(6) 
5094(7) 
, 
, 
, 
" 
U 
45(1) 
45(1) 
41(1) 
42(1) 
56(1) 
55(1) 
46(1) 
53(1) 
34(4) 
32(3) 
35(3) 
31(3) 
33(3) 
34(3) 
106(7) 
148(10) 
92(7) 
114(8) 
39(1) 
43(1) 
47(1) 
46(1) 
33(3) 
31(3) 
33(3) 
43(4) 
43(4) 
55(4) 
80(4) 
70(3) 
82(4) 
A. Weber et 01 . . Physical Propenies of BEDT-lTF Nitrates 
the two-dimensional physical behaviour of the corn. 
pound. Alternatively, the occurrence of stacks of 
BEDT-TTF may be recognized in Fig. 3, but there 
are no intermolecular S···S contacts <4 A within a 
stack. 
Along b, the sheets of BEDT-TrF cations are 
separated from each other by layers of NOJ - anions. 
It could be deduced from composition and symmetry 
that BEDT-TTF species (I) carries the positive 
charge, and species (11) is a neutral molecule . This is, 
however. not consistent with the physical behaviour, 
which makes the occurrence of cations with frac· 
tional average charge more likely. 
Physical results 
The electrical conductivity was measured along the 
a-axes of crystals of a-(BEDT-TfFh(NO,j, . The 
room temperature conductivity ranges typically be· 
tween 100 and 800 (Qem)-I (Figs. 4 and 5). 
The conductivity data of several samples indicate a 
phase transition around 20 K (see Fig. 4) . Other 
crystals do not show such a sharp decrease in the 
conductivity at this temperature (see Fig. 5). Figs. 4 
and 5 show two extreme cases of many measure· 
ments, Most of the crystals show a temperature de-
pendence intermediate between these two extremes. 
Nevertheless all crystals have in common a metallic 
behaviour down to about 30 K, while below 20 K the 
conductivity decreases only slightly indicating a semi-
~gW 2. Section of a B~a.T·~ ribbon sho~ing inter:molecu1ar S···S contacts <3.8 A (c.s.d . -0.005 A). Circled dots 
mdlcate crystalJographic anverslon cc:ntc:fS wtth the gwen coordinates. Numbered atoms are the S atoms, (1) and (ll) 
designate the two BbaT~NTc species. Symmetry codes are k: I-x, -y. -r; 1: x, y, z-l ; m: x-I. y. z; n: -I-x, -y, l - z. 
The molecularcentroids are at : (Ik): .74. - .03. - .31 ; (Ill): 0. 0 , 0; (Im): -.74, .03, .31: (In) : -1.26. - .03 • . 69. 
A. Weber ~f al . . Physical Properties of BEDT-TIT Nitrates 1661 
S(I)-C(l) 1.734(9) S(I)-C(3) 1.760(9) Table ll. Bond distances (A) and angles 
S(2)-C(l) 1.738(9) S(2)-C(4) 1. 731(8) e)· 
S(3)-C(2) 1.740(9) S(3)-C(S) 1.748(9) 
S(4)-C(2) 1.733(9) S(4)-C(6) 1.746(9) 
S(S)-C(3) 1.717(9) S(S)-C(9) 1.762(12) 
S(6)-C(4) 1. 739(9) S(6)-C(IO) 1.74S(13) 
S(7)-C(5) 1. 729(9) S(7) - C(7) 1.773(12) 
S(8)-C(6) 1.732(9) S(8) - C(8) 1.707(IS) 
C(1) - C(2) I.3S8(12) C(3)-C(4) 1.364(13) 
C(5)-C(6) 1.376(13) C(7)-C(8) 1.31S(22) 
C(9)-C(1O) 1.356(20) S(9) - C(I1) 1.749(9) 
S(9) - C(12) 1. 739(8) S(IO)-C(I1) 1.743(9) 
S(IO)-C(l3) 1.7S3(9) S(I1)-C(12) 1.747(9) 
S(II) - C(14) 1.800(9) S(l2)-C(l3) 1.742(9) 
S(12)-C(15) 1.793(9) C(11)-C(lla) 1.332(IS) 
C(12)-C(13) 1.344(12) C(14)-C(IS) 1.533(12) 
N(I)- O(I) 1.230(13) N(l)-O(2) 1.264(13) 
N(I)-O(3) 1.245(11) 
C(l)-S(I)-C(3) % .3(4) C(1)-S(2)-C(4) 95.8(4) 
C(2) - S(J)-C(S) % .4(4) C(2)-S(4)-C(6) % .1(4) 
C(J)-S(5) - C(9) 101.6(5) C(4)-S(6)-C(IO) IOJ.8(6) 
C(S)-S(7)-C(7) 102.6(5) C(6) - S(8)-C(8) 101.2(6) 
S(1)-C(I)-S(2) 114.7(5) S(I)-C(I)- C(2) 122.4(7) 
S(2)-C(I) - C(2) 122.9(7) S(J)-C(2)- S(4) 114.S(S) 
S(3)-C(2) - C(l) 121.7(7) S(4)-C(2)-C(l) 123.7(7) 
S(1)-C(J)-S(S) l1S .5(5) S(I) - C(J)-C(4) l1S .0(6) 
S(5) - C(3)-C(4) 129.5(7) S(2) - C(4)-S(6) IIS .6(S) 
S(2)-C(4) - C(3) 118.1(6) S(6)-C(4)-C(J) 126.3(6) 
S(J)-C(S)-S(7) I1S .2(S) S(J)-C(S)-C(6) 115.8(6) 
S(7)-C(5)-C(6) 129.0(7) S(4) - C(6) - S(8) IIS.8(S) 
S(4)-C(6)-C(5) 116.8(6) S(8) - C(6)- C(S) 127.4(7) 
S(7)-C(7)-C(8) 124.1(9) S(8)-C(8)-C(7) 132.8(9) 
S(S)-C(9)-C(l0) 123.9(8) S(6)-C(IO)-C(9) 125.4(9) 
C(ll)- S(9) - C(12) % .0(4) C(11)-S(IO) - C(l3) % .S(4) 
C(12)-S(lI) - C(14) 101.8(4) C(13)-S(12)-C(15) 102.0(4) 
S(9) - C(ll)-S(lO) 113.7(4) S(9)-C(11)-C(11 a) 123.1(10) 
S(lO)- C(l1)-C(11 a) 123.2(10) S(9) - C(12)-S(I1) 1I4.2(S) 
S(9)-C(12)-C(13) 117.8(6) S(II)- C(12)-C(13) 128.0(7) 
S(10)-C(13)-S(12) 115.1(5) S(IO)-C(13)- C(12) 116.0(6) 
S(12)-C(13)-C(12) 128.9(7) S(I1)-C(14)-C(15) 1I3.9(S) 
S(12)-C(IS) - C(14) 113.6(6) O(I)- N(I) - O(2) 121.0(8) 
O(I)-N(I)-O(3) 122.0(10) O(2) - N(I)-O(3) 116.9(10) 
Fig. 3. Two BEDT·TIT ribbons. related by a unit translation a, projected onto each other. The projection is perpendicu-
lar to the mean plane through tbe S atoms of species (I). The lower molecules (thin lines) are the same as in Fig. 2. they 
a~e shifted by a (direction shown in the Figure) to give the upper ribbon (thick lines) . S···S contacts <3 .8 A between the 
different ribbons are indicated. 
1662 A. Weber I!t QJ. . Physical Properties of BEDT -TIT Nitrates 
• 3 I. 3. 100 T 00 lee I. 
n 
E 
u l , 
'" 
I. 
~ 
>-
I-
M 
> 2 
M I. I-
U 
" 
" Z 0 
U I 
I. 
" 0 
...J 
• I. 
I. I. I. 
LOG T [K) 
Fig. 4. Temperature dependence of the conductivity of aD a-(BEDT-TIFh(NOJ}z crystal showing a sharp decrease in 
conductivity around 20 K . 
• I. 
n 
e 
u , 
'" ~ 
>-
I-
M 
> 3 
M I. I-
U 
" Cl Z 
0 
U 
" 0 
...J 
2 
I. 
I. 
3 I. 
I I. 
,. 
LOG T [K) 
nae T UO leliJ 
• 
I. 
Fig. 5. Temperature dependence of the conductivity of an a-(BEDT-TIFMNOJh crystal with a smooth decrease in 
conductivity below 30 K. 
conducting behaviour with a very small activation 
energy of 1.5'10-" eV. 
Crystals with a conductivity cbaracteristic shown in 
Fig. 5 conduct at 4 K as well as at room temperature. 
All crystals showed also a small dip in the 
log (S/cm)/Iog T-curve at around 140-150 K. In tbe 
same temperature range the thermopower measure-
ments (Fig. 6) indicate another phase transition. In 
A. Weber et al . . Physical Properties of BEDT-lTF Nitrates 
n 
'" 15 ,
> :s. 
~ 
'" ~NM 
o 
"-o 
I: 
'" W 5 I 
>-
a-I BEDT - TTF ':J (N03 lz 
50 100 
/w 
'W 
. w 
159 290 
T [KJ 
.w 
, w 
W/ 
w/ 
w/ w 
w/ 
/ 
250 300 
1663 
350 
Fig. 6. Temperature dependence of the thennopower of crysuls of a-(BEDT-lTFMNOJh measured along the a-direc-
tion . 
both temperature ranges between 140-300 K and 
between 20-140 K a linear temperature dependent 
thermopower S typical for a metallic regime is found. 
The slopes of the thermopower above and below 
140 K indicate that the width of the conduction band 
might be much larger in the low temperature regime. 
(I] S. S. P. Parkin, E. M. Engler, R . R. Schumaker, R. 
Lagier, V. Y. Lee, J . C . Soon. and R. L. Greene, 
Phys. Rev. Lett . 50, 270 (1983). 
(2) E . B. Yagubskii, I. F. Shchegolev, V . N. Laukhin, P . 
A . Kononovich, M. W. Karatsovnik. A. V . Zwary-
kina, and L. 1. Buravou, Pis'ma Zh . Eksp. Teor. Fiz. 
39, 12 (1984); J . E. T. P. Lett . 39, 129 (1984) . 
[3] H. Schwenk, C. P. Heidmann . F . Gross, E . Hess, K. 
Andres. D . Schweitzer, and H. J . KeUer, Phys. Rev. 
B 31, 3138 (1985). 
(4] T . Mori, A . Kobayashi, Y. Sasaki, H . Kobayashi. G . 
. Saito, and H . Inokuchi, Chem. Leu. 1984,957 (1984). 
[51 K. Murata . M. Tokumoto, H. Anzai, H . Bando. G . 
Saito, K. Kajimura. and T . Ishiguro, J. Phys. Soc. 
Jpn. 54, 1236 (1985). 
[6) J . M. Williams, H. H. Wang, M. A. Beno. T. J . Emge. 
L. M. Sowa, P. T. Copps. F. Behroozi , L. N. HaD, K. 
D: Carlson, and G. W. Crabtree. Inorg. Chew. 2.3. 
3839 (1984). 
(7) T. 1. Emge, H . H. Wang. M. A. Beno, P. C. W. 
Leung, M. A. Firestone, H. J. Jenkins. J. O. Cook, 
K. D. Carlson, and J. M. Williams, lnorg. Chem. 14, 
1736 (1985). 
(8] H . H. Weng, M. A. Beno, U . Geiser, M. A . Firestone, 
K. S. Webb, L. Nunez, G. W. Crabtree, K. D . Carlson, 
J. M. Williams. L. J . Azevedo, J . F. Kwak. and J. E . 
Schirber, Inorg. Chew. 14, 2465 (1985). 
The structure and physical properties of the fJ- and 
y-phases are reported separately [17]. 
This work was supported by Stiftuog Volkswagen-
werk and by the Foods der Chemischen Industrie. 
(9J H. Endres. M. HilIer, H. J . Keller, K. Bender, E. Gogu, 
I . Heinen. and D. Schweitzer. Z. Naturfonch . 4Ob.l664 
(1985) . 
[10J M. Mizumo, A . F . Garito, and M. P . Cava, J. Cbem. 
Soc. Chem. Commun. 1978, 18. 
(11) K. Hanke, T . Kissel, J . Quante. and R . Matusch, 
Chem. Ber. 113, 1898 (1980). 
[I2) H. J. Keller, D. NOthe, H. Pritzkow, D. Wehe, M. 
Wemer, P. Koch , and D. Schweitzer. Mol. Cryst. Uq . 
Cryst. 61, 181 (1980). 
(13) K. Bender, I. Hecnig. D . Schweitzer, K. Dietz, H . 
Endres, and H. J. Keller. Mol. Cryst. Liq. eryst. 108, 
359 (1984). 
(14) P . M. Chaikin and J . F. Kwan, Rev. Sci . Instrum. 46, 
218 (1975). 
(15) G. M. Sheldrick. SHELXTI... An integrated system 
for solving, refining, and displaying crystal structures 
from diffraction data . Univ. GOttingen. FRG (1983) . 
[161lnternational Tables for X-ray Crystallography. 
Vo!. IV. Kynoch Press, Binningham 1974 (Present di-
stributor: D . Reidel. Dordrecht). 
[17] E . Gogu, I. Heinen, K. Bender, D . Schweitzer, A . 
Weber, H. Endres , and H . J . Keller. Mol. Cryst . Uq. 
Cryst .• to be submitted. 


Preparation, structure and physical properties of BEDT-TTF nitrates

Electrocrystallization of BEDT -TTF in THF with tetrabutylammonium nitrate as supporting electrolyte leads to the deposition of at least three different phases. The a-phase (C10H8S8)3(NO3)2, Mt = 1277.98, crystallizes in the monoclinic space group P21/n. The structure of this solid was solved: a = 5.890(2), b = 31.125(10), c = 12.915(6) Ä , β = 103.73(3)°, V = 2300 Å 3, Z - 2, Dx = 1.84 gem-3, MoKfα λ = 0.7107 Å , μ = 11.2 cm-1, F(000) = 1300, room temperature, R = 0.057 for 1888 observed independent reflections. Sheets of BEDT-TTF radical cations with short intermolecular S···S contacts (>3.315(4) Å ) are separated by anion layers. Two more BEDT-TTF nitrates have been characterized by their unit cell data. Results of temperature dependent electrical conductivity and thermopower measurements on crystals of the a-phase are presented. They are metallic down to about 30 

Preparation, structure and physical properties of BEDT-TTF nitrates

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