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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=89051 Help
TitleDynamic disorder and fluxionality in M3 (C O)12 clusters: variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12(n = 1,2) and the low-temperature phase of Fe3 (C O)12.
AuthorsFarrugia, L.J.;Gillon, A.L.;Braga, D.;Grepioni, F.
ReferenceOrganometallics (1999) 18, 502-503
Link XRef SCOPUS Google
CompoundC12 Fe1 O12 Ru2 - Iron diruthenium dodecacarbonyl [A12NO2X12] [oS216] [b33] []
Cell11.6381(11), 12.9718(12), 22.8160(50), 90., 90., 90.
C2CB (41) V=3444.47
RemarksR=0.061000 : T =223 : D
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
Ru1(8b)0
Ru2(8b)0
Fe1(8b)0
Ru3(8b)0
Ru4(8b)0
Fe2(8b)0
Ru5(8b)0
Ru6(8b)0
Fe3(8b)0
O1(8b)-2
O2(8b)-2
O3(8b)-2
O4(8b)-2
O5(8b)-2
O6(8b)-2
O7(8b)-2
O8(8b)-2
O9(8b)-2
O10(8b)-2
O11(8b)-2
O12(8b)-2
C1(8b)2
C2(8b)2
C3(8b)2
C4(8b)2
C5(8b)2
C6(8b)2
C7(8b)2
C8(8b)2
C9(8b)2
C10(8b)2
C11(8b)2
C12(8b)2
0.780.180.1100.85
0.020.180.1300.85
-.090.360.1200.85
0.010.300.140.020.09
0.780.300.110.020.09
-.090.110.120.020.09
0.020.200.100.050.04
0.890.350.160.050.04
0.780.190.100.050.04
0.530.230.1001
0.78-.030.0601
0.810.26-.0101
0.770.100.2401
0.280.240.1401
0.04-.030.1701
0.050.120.0001
0.000.240.2601
0.050.510.1801
0.750.510.0601
0.050.370.0201
0.760.350.2301
0.620.220.1101
0.780.040.0801
0.800.230.0301
0.780.130.1901
0.180.220.1401
0.030.040.1501
0.030.140.0501
0.000.230.2101
-.000.450.1601
0.800.450.0901
-.000.360.0601
0.800.350.1901
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ru1(8b)0
Ru2(8b)0
Fe1(8b)0
Ru3(8b)0
Ru4(8b)0
Fe2(8b)0
Ru5(8b)0
Ru6(8b)0
Fe3(8b)0
O1(8b)-2
O2(8b)-2
O3(8b)-2
O4(8b)-2
O5(8b)-2
O6(8b)-2
O7(8b)-2
O8(8b)-2
O9(8b)-2
O10(8b)-2
O11(8b)-2
O12(8b)-2
C1(8b)2
C2(8b)2
C3(8b)2
C4(8b)2
C5(8b)2
C6(8b)2
C7(8b)2
C8(8b)2
C9(8b)2
C10(8b)2
C11(8b)2
C12(8b)2
0.020.020.02-.00-.000.00
0.020.020.020.00-.000.00
0.020.020.03-.00-.000.00
000000
000000
000000
000000
000000
000000
0.030.130.050.000.000.00
0.120.040.08-.010.01-.01
0.040.060.03-.000.000.00
0.050.060.03-.00-.000.00
0.030.120.03-.00-.000.00
0.070.050.070.020.000.02
0.060.050.050.010.01-.00
0.050.060.030.00-.020.00
0.070.070.06-.03-.01-.01
0.100.080.070.040.010.01
0.050.040.07-.010.000.00
0.050.050.060.010.010.00
0.020.100.02-.01-.000.00
0.050.040.04-.01-.000.00
0.030.040.040.000.00-.00
0.030.030.04-.010.00-.00
0.030.070.04-.000.000.00
0.050.040.030.02-.00-.00
0.040.030.040.00-.000.00
0.020.040.030.00-.00-.00
0.050.030.04-.010.000.00
0.050.050.050.010.00-.01
0.040.030.04-.000.00-.00
0.040.030.060.000.000.00

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