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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=281776
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Title
Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3).
Authors
Pretsch, T.; Bruedgam, I.; Hartl, H.
Reference
Zeitschrift fuer Anorganische und Allgem (2004)
630
, 353-360
Link
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Compound
C3 H2 Cs1 Cu2 N3 O1
- Caesium tricyanodicuprate(I) hydrate
[
AB2C3XY3
] [
oP96
] [
c10
] [
]
Cell
8.7597(17), 6.7809(13), 27.113(5), 90., 90., 90.
PBCA (61)
V=1610.48
Remarks
R=0.027700 : T =173 :
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
Cs1
(8c)
1
Cu1
(8c)
1
Cu2
(8c)
1
N1
(8c)
-3
C1
(8c)
2
N2
(8c)
-3
C2
(8c)
2
N3
(8c)
-3
C3
(8c)
2
O1
(8c)
-2
H1
(8c)
1
H2
(8c)
1
0.02
0.05
0.39
0.02
1
-.40
0.10
0.47
0.02
1
-.32
-.05
0.29
0.03
1
-.37
0.04
0.40
0.02
1
-.35
0.00
0.36
0.02
1
-.21
0.20
0.50
0.02
1
-.10
0.28
0.50
0.02
1
-.51
-.08
0.25
0.03
1
-.13
-.08
0.26
0.02
1
0.29
0.22
0.33
0.02
1.
0.26
0.28
0.30
0.03
1
0.37
0.12
0.32
0.03
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Cs1
(8c)
1
Cu1
(8c)
1
Cu2
(8c)
1
N1
(8c)
-3
C1
(8c)
2
N2
(8c)
-3
C2
(8c)
2
N3
(8c)
-3
C3
(8c)
2
O1
(8c)
-2
H1
(8c)
1
H2
(8c)
1
0.02
0.02
0.03
0.00
0.00
0.00
0.01
0.01
0.02
-.00
0.00
0.00
0.03
0.03
0.02
-.00
0.00
0.00
0.02
0.02
0.03
0.00
-.00
0.00
0.01
0.02
0.01
-.00
0.00
0.00
0.02
0.01
0.02
-.00
-.00
0.00
0.02
0.01
0.02
-.00
0.00
-.00
0.03
0.03
0.03
0.00
0.00
-.00
0.02
0.02
0.01
0.00
-.00
0.00
0.03
0.02
0.02
0.00
0.00
0.00
0
0
0
0
0
0
0
0
0
0
0
0
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