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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:
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CC=47156 Help
TitleSynthesis and X-Ray Crystal Structure of the Hexafluoroantimonate Salt of the Dimeric Tungsten Pentacarbonyl Diselenyl Cation W2 (C O)10 Se4(2+)..
AuthorsBelin, C.;Makani, T.;Roziere, J.
ReferenceJournal of the Chemical Society. Chemical Communications (1985) 1985, 118-119
Link XRef SCOPUS SCIRUS Google
CompoundC10 F12 O10 Sb2 Se4 W2 - Bis(tungsten pentacarbonyl diseleno) bis(hexafluoroantimonate) [ABC5X2Y5Z6] [mP80] [e20] []
Cell8.806(3), 7.098(2), 22.145(8), 90., 95.47(2), 90.
P121/C1 (14) V=1377.87
RemarksR=0.028000 :
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.

Atom (site) Oxid. x, y, z, B, Occupancy
W1(4e)5
Sb1(4e)5
Se1(4e)-2
Se2(4e)-2
F1(4e)-1
F2(4e)-1
F3(4e)-1
F4(4e)-1
F5(4e)-1
F6(4e)-1
C1(4e)2
C2(4e)2
C3(4e)2
C4(4e)2
C5(4e)2
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
0.22140.0710.114301
0.70450.60180.134501
0.09680.23120.014801
-.06670.09880.071401
0.74430.66750.215301
0.91010.62860.122801
0.67020.54410.051701
0.6780.85580.113401
0.49890.58160.144801
0.73410.35160.154301
0.1120.94330.182501
0.23810.81290.074801
0.20140.33250.155901
0.40770.14740.069901
0.39960.01430.1801
0.05830.87170.220601
0.24970.66680.054901
0.51140.1750.043701
0.19460.46970.180501
0.4974-.00070.213501
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
W1(4e)5
Sb1(4e)5
Se1(4e)-2
Se2(4e)-2
F1(4e)-1
F2(4e)-1
F3(4e)-1
F4(4e)-1
F5(4e)-1
F6(4e)-1
C1(4e)2
C2(4e)2
C3(4e)2
C4(4e)2
C5(4e)2
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
0.02770.03010.026-.00110.0013-.0024
0.03080.04120.031-.00270.00330.0039
0.03720.03610.0341-.0070.00040.0053
0.02770.04640.0376-.00030.00530.0016
0.06190.06330.0375-.00450.0037-.0017
0.0380.1320.0643-.00220.01340.0055
0.09570.11770.0442-.04030.0001-.0065
0.11630.05370.09760.03230.03910.0352
0.0320.20890.0729-.02630.00850.0326
0.17340.04030.10410.0040.02470.0063
0.06380.05370.0111-.0168-.0003-.0055
0.03430.04550.03480.00240.00010.0077
0.02990.05470.0195-.00190.00640.0007
0.03130.048840.0948-.00840.00910.0018
0.04330.08870.03190.0243-.0047-.0182
0.09930.09820.0435-.00480.0121-.0002
0.06890.03680.04940.0082-.0021-.0085
0.04780.07760.0546-.00840.01150.0046
0.05620.04120.05540.00830.004-.0127
0.06280.15890.04610.0443-.0079-.0236

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