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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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TitleX-ray crystal structure determinations of two thiourea tin(II) complexes: Diacetobis(thiourea)tin(II) and ditin(II)tetrabromopenta(thiourea)dihydrate.
AuthorsDonaldson, J.D.;Grimes, S.M.;Calogero, S.;Russo, U.;Valle, G.;Smith, P.J.
ReferenceInorganica Chimica Acta (1984) 84, 173-177
Link XRef SCOPUS Google
CompoundC5 H24 Br4 N10 O2 S5 Sn2 - Tetrabromopenta(thiourea)ditin dihydrate [] [oP208] [d10 c8] []
Cell27.830(30), 16.130(40), 6.11(6), 90., 90., 90.
PNMA (62) V=2742.77
RemarksR=0.077000 :
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Occupation # of Sn and Br stated to be .5 in paper but set to 1

Atom (site) Oxid. x, y, z, B, Occupancy
Sn1(4c)2
Sn2(4c)2
Br1(4c)-1
Br2(4c)-1
Br3(8d)-1
S1(8d)-2
S2(8d)-2
S3(4c)-2
N1(8d)-3
N2(8d)-3
N3(8d)-3
N4(8d)-3
N5(4c)-3
N6(4c)-3
C1(8d)4
C2(8d)4
C3(4c)4
O1(8d)-2
H1(4c)1
0.100.250.6101
0.240.250.7001
0.250.250.2701
0.120.250.0301
0.320.120.7501
0.030.130.7001
0.180.110.5701
0.470.250.3701
0.040.080.290.031.
0.06-.010.540.041.
0.19-.030.750.071.
0.180.060.000.061.
0.370.250.260.171.
0.430.25-.040.071.
0.050.060.490.031
0.190.040.790.021
0.420.250.170.171
-.070.430.970.041.
024.
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Sn1(4c)2
Sn2(4c)2
Br1(4c)-1
Br2(4c)-1
Br3(8d)-1
S1(8d)-2
S2(8d)-2
S3(4c)-2
N1(8d)-3
N2(8d)-3
N3(8d)-3
N4(8d)-3
N5(4c)-3
N6(4c)-3
C1(8d)4
C2(8d)4
C3(4c)4
O1(8d)-2
H1(4c)1
0.040.020.0200.000
0.020.030.0100.000
0.040.040.0200.000
0.050.030.010-.000
0.060.040.020.01-.00-.00
0.430.030.03-.00-.000.00
0.050.020.01-.000.000.00
0.040.060.020-.000
000000
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000000
000000
000000
000000
000000
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