ICSD for WWW

Details of the selected entries


1 entry selected.
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=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.
ReferenceIC&volume=1985&fpage=118&details=yes target=icsd_help>Journal of the Chemical Society. Chemica (1985) 1985, 118-119
Link XRef SCOPUS 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
0.220.070.1101
0.700.600.1301
0.090.230.0101
-.060.090.0701
0.740.660.2101
0.910.620.1201
0.670.540.0501
0.670.850.1101
0.490.580.1401
0.730.350.1501
0.110.940.1801
0.230.810.0701
0.200.330.1501
0.400.140.0601
0.390.010.1801
0.050.870.2201
0.240.660.0501
0.510.170.0401
0.190.460.1801
0.49-.000.2101
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
0.020.030.02-.000.00-.00
0.030.040.03-.000.000.00
0.030.030.03-.000.000.00
0.020.040.03-.000.000.00
0.060.060.03-.000.00-.00
0.030.130.06-.000.010.00
0.090.110.04-.040.00-.00
0.110.050.090.030.030.03
0.030.200.07-.020.000.03
0.170.040.100.000.020.00
0.060.050.01-.01-.00-.00
0.030.040.030.000.000.00
0.020.050.01-.000.000.00
0.030.040.09-.000.000.00
0.040.080.030.02-.00-.01
0.090.090.04-.000.01-.00
0.060.030.040.00-.00-.00
0.040.070.05-.000.010.00
0.050.040.050.000.00-.01
0.060.150.040.04-.00-.02

Demo database


Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2018 by Fachinformationszentrum (FIZ) Karlsruhe
The PHP-mySQL WWW interface is copyright © 2003-2015 by Peter Hewat
The 3D crystal structure visualisation software, xtal-3d is copyright © 1994-2015 by Marcus Hewat
The PHP-JMOL drawing software is copyright © 2006-2015 by Alan Hewat
Please report technical problems with ICSD for WWW to alan.hewat[a]neutronoptics.com (Alan Hewat).