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ICSD for WWW : Details

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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=412608 Help
TitleMercury cyanamide/carbodiimide networks: synthesis and crystal structures of Hg2 (N C N) Cl2 and Hg3 (N C N)2 Cl2.
AuthorsLiu, X.-H.;Dronskowski, R.
ReferenceZeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2002) 57, 1108-1114
Link XRef SCOPUS SCIRUS Google
CompoundC1 Cl2 Hg2 N2 - Dimercury cyanamide dichloride [AB2X2Y2] [mP28] [e6 d b] []
Cell8.0667(13), 9.0705(15), 7.8802(13), 90., 106.446(3), 90.
P121/C1 (14) V=553.
RemarksR=0.046300 :
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
Hg1(4e)2
Hg2(2d)2
Hg3(2b)2
Cl1(4e)-1
Cl2(4e)-1
N1(4e)-3
C1(4e)4
N2(4e)-3
0.10927(10)0.82183(8)0.23369(11)0.0259(2)1
0.500.50.0239(3)1
0.5000.0541(5)1
0.4907(7)0.7527(6)0.2527(7)0.0306(11)1
0.8009(6)1.0217(6)0.0761(7)0.0319(12)1
0.234(2)0.9897(17)0.399(2)0.022(4)1
0.135(3)1.086(2)0.424(2)0.023(5)1
0.035(2)1.176(2)0.453(2)0.027(4)1
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Hg1(4e)2
Hg2(2d)2
Hg3(2b)2
Cl1(4e)-1
Cl2(4e)-1
N1(4e)-3
C1(4e)4
N2(4e)-3
0.0258(4)0.0207(4)0.0283(4)-0.0047(4)0.0028(3)-0.0035(4)
0.0145(5)0.0270(6)0.0278(6)-0.0003(5)0.0022(4)-0.0036(5)
0.0196(6)0.0931(14)0.0478(9)-0.0140(8)0.0065(6)-0.0057(9)
0.036(3)0.026(3)0.029(3)0.003(2)0.008(2)-0.002(2)
0.024(3)0.029(3)0.038(3)-0.001(2)0.002(2)0.004(2)
0.018(8)0.017(9)0.036(10)-0.003(7)0.012(7)-0.001(7)
0.036(12)0.018(10)0.013(10)-0.001(9)0.003(9)0.005(8)
0.018(8)0.029(10)0.028(9)0.005(8)-0.003(7)0.005(8)

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