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1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=280288 Help
TitleNa2 Fe (C N)5 (N O) x 2(D2 O) at 11 and 293 K by X-ray, and at 15 K by neutron diffraction.
AuthorsSchultz, A.J.;Figgis, B.N.;Sobolev, A.N.
ReferenceIC&volume=56&fpage=128&details=yes target=icsd_help>Acta Crystallographica C (2000) 56, 128-129
Link XRef SCOPUS Google
CompoundC5 D4 Fe1 N6 Na2 O3 - Disodium pentacyanonitrosylferrate(III) bis(dideuteriohydrate) [ABC2D5X3Y5] [oP84] [h7 g5 f e] []
Cell6.124(2), 11.837(5), 15.547(6), 90., 90., 90.
PNNM (58) V=1127.
RemarksR=0.025000 : N T =11 : M
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
Fe1(4g)3
Na1(4f)1
Na2(4e)1
O1(4g)-2
O2(8h)-2
N1(4g)2
N2(4g)-3
N3(8h)-3
N4(8h)-3
C1(4g)2
C2(8h)2
C3(8h)2
D1(8h)1
D2(8h)1
0.500.280.501
0.500.2401
000.3701
0.880.400.501
0.170.120.2601
0.720.350.501
0.090.120.501
0.660.110.3501
0.250.400.3501
0.240.180.501
0.600.170.4101
0.340.360.4101
0.180.180.280.021
0.060.120.230.031
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Fe1(4g)3
Na1(4f)1
Na2(4e)1
O1(4g)-2
O2(8h)-2
N1(4g)2
N2(4g)-3
N3(8h)-3
N4(8h)-3
C1(4g)2
C2(8h)2
C3(8h)2
D1(8h)1
D2(8h)1
0.000.000.00-.0000
0.000.000.00-.0000
0.000.000.000.0000
0.000.000.01-.0000
0.010.000.000.00-.000.00
0.000.000.00-.0000
0.000.000.00-.0000
0.000.000.000.000.00-.00
0.000.010.000.00-.000.00
0.000.000.00-.0000
0.000.000.000.000.00-.00
0.000.000.000.00-.000.00
000000
000000

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