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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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TitleStructure and thermal motion of sulfonylbis(phosphorimidic trichloride), S O2 (N P Cl3)2.
AuthorsBelaj, F.
ReferenceActa Crystallographica B (1995) 51, 161-166
Link XRef SCOPUS SCIRUS Google
CompoundCl6 N2 O2 P2 S1 - Sulfuryl bis(trichlorophosphoimide) [AB2X2Y2Z6] [mP52] [e13] []
Cell11.843(1), 7.751(1), 12.374(2), 90., 95.11(1), 90.
P121/C1 (14) V=1131.36
RemarksR=0.028000 : TEM =100 :
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
S1(4e)6
O1(4e)-2
O2(4e)-2
N1(4e)-3
P1(4e)5
Cl1(4e)-1
Cl2(4e)-1
Cl3(4e)-1
N2(4e)-3
P2(4e)5
Cl4(4e)-1
Cl5(4e)-1
Cl6(4e)-1
0.24576(3)0.45604(5)0.37388(3)01
0.34458(11)0.52815(16)0.43184(10)01
0.14229(11)0.46128(16)0.42538(10)01
0.23138(12)0.55512(18)0.25926(11)01
0.13286(4)0.54902(5)0.16924(3)01
0.97693(4)0.56230(6)0.21388(4)01
0.12932(4)0.34414(6)0.07353(3)01
0.14781(4)0.74748(6)0.07305(4)01
0.26486(11)0.25610(18)0.34525(12)01
0.36978(3)0.15535(5)0.31697(3)01
0.51495(4)0.20824(6)0.40230(4)01
0.40604(4)0.16712(7)0.16433(4)01
0.34010(4)0.90922(5)0.34028(4)01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
S1(4e)6
O1(4e)-2
O2(4e)-2
N1(4e)-3
P1(4e)5
Cl1(4e)-1
Cl2(4e)-1
Cl3(4e)-1
N2(4e)-3
P2(4e)5
Cl4(4e)-1
Cl5(4e)-1
Cl6(4e)-1
0.0172(2)0.0110(1)0.0116(1)-.0004(1)0.0016(1)-.0006(1)
0.0257(6)0.0172(5)0.0183(5)-.0035(5)-.0056(5)-.0018(4)
0.0248(6)0.0173(5)0.0175(5)0.0037(5)0.0095(4)0.0009(4)
0.0179(6)0.0163(6)0.0142(5)-.0029(5)0.0008(5)0.0027(5)
0.0152(2)0.0147(2)0.0131(2)0.0010(1)0.0014(1)0.0015(1)
0.0166(2)0.0293(2)0.0269(2)0.0051(2)0.0049(1)0.0009(2)
0.0260(2)0.0237(2)0.0184(2)0.0047(2)-.0020(1)-.0065(2)
0.0316(2)0.0241(2)0.0216(2)-.0016(2)-.0002(2)0.0108(2)
0.0143(5)0.0116(5)0.0233(6)-.0009(5)0.0039(5)-.0018(5)
0.0129(2)0.0123(2)0.0163(2)-.0001(1)0.0016(1)0.0001(1)
0.0160(2)0.0287(2)0.0272(2)-.0015(2)-.0044(1)0.0000(2)
0.0252(2)0.0410(3)0.0180(2)0.0027(2)0.0066(2)-.0019(2)
0.0242(2)0.0115(2)0.0445(3)0.0004(1)0.0043(2)0.0014(2)

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