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ICSD for WWW : Details

ICSD for WWW

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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=63379 Help
TitleInsertion of carbon disulphide into a metal-chlorine bond; X-ray structure of Au Cl2 (hapto2-S2 C Cl).
AuthorsJentsch, D.; Jones, P.G.; Thoene, C.; Schwarzmann, E.
ReferenceJournal of the Chemical Society. Chemical Communications (1989) 1989, 1495-1496
Link XRef SCOPUS SCIRUS Google
CompoundC1 Au1 Cl3 S2 - Dichloro(hapto2-dithiochloroformate)gold(III) [ABX2Y3] [mS56] [f7] []
Cell14.895(5), 10.325(3), 10.765(3), 90., 120.19(2), 90.
C12/C1 (15) V=1431.
RemarksR=0.050000 : PDF =78-2169 :
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.
PDF 78-2169
Cell in I12/c1-setting: a'=13.284, beta'=104.27

Atom (site) Oxid. x, y, z, B, Occupancy
Au1(8f)3
Cl1(8f)-1
Cl2(8f)-1
Cl3(8f)-1
S1(8f)-2
S2(8f)-2
C1(8f)4
0.3305(1)0.6215(1)0.4616(1)01
0.1528(3)0.6104(5)0.3270(6)01
0.3411(4)0.4561(6)0.6117(8)01
0.5663(3)0.8688(6)0.4453(7)01
0.3482(4)0.7912(6)0.3346(7)01
0.5063(4)0.6585(5)0.5721(7)01
0.4743(12)0.7767(19)0.4472(24)01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Au1(8f)3
Cl1(8f)-1
Cl2(8f)-1
Cl3(8f)-1
S1(8f)-2
S2(8f)-2
C1(8f)4
0.0629(3)0.0382(4)0.0645(4)-.0099(5)0.0453(5)-.0037(4)
0.0631(21)0.0664(35)0.0674(28)-.0120(31)0.0343(31)0.0008(27)
0.0704(24)0.0658(32)0.1171(39)-.0032(32)0.0529(40)0.0337(33)
0.0991(21)0.0807(35)0.0946(30)-.0517(41)0.0744(41)-.0246(28)
0.0938(27)0.0556(32)0.0635(31)-.0192(32)0.0512(41)-.0024(24)
0.0670(22)0.0621(35)0.0894(34)-.0119(34)0.0470(37)0.0054(29)
0.0599(75)0.0519(110)0.0685(109)-.0149(110)0.0471(142)-.0149(90)

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