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ICSD for WWW : Details

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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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TitleAxial-ligand and metal-metal trans influences in binuclear platinum(III) complexes. Crystal structures and spectroscopic properties of K4 Pt2 (P2 O5 H2)4 (S C N)2 (H2 O)2 etc..
AuthorsChe, C.M.;Lee, W.M.;Mak, T.C.W.;Gray, H.B.
ReferenceJournal of the American Chemical Society (1986) 108, 4446-4451
Link XRef SCOPUS SCIRUS Google
CompoundH12 K6 N4 O30 P8 Pt2 - Hexapotassium bis(nitro)di-mue-dihydrogendiphosphato(III)-duo-diplatin te(III) dihydrate [A4B7C12D16X58] [mS242] [f26 e2] []
Cell16.545(3), 18.091(7), 10.653(2), 90., 92.8, 90.
C12/C1 (15) V=3184.8
RemarksR=0.035000 : DEF
Deviation of the charge sum from zero tolerable.
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.
Difference between the formula calculated from the PARM record and the FORM record tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Pt1(8f)3
P1(8f)3
P2(8f)3
P3(8f)3
P4(8f)3
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
O5(8f)-2
O6(8f)-2
O7(8f)-2
O8(8f)-2
O9(8f)-2
O10(8f)-2
N1(8f)3
O11(8f)-2
O12(8f)-2
K1(8f)1
K2(4e)1
K3(4e)1
K4(8f)1
O13(8f)-2
O14(8f)-2
N2(8f)3
O15(8f)-2
N3(8f)3
O16(8f)-2
N4(8f)3
O17(8f)-2
N5(8f)3
O18(8f)-2
N6(8f)3
H1(8f)1
0.30535(1)0.20659(1)-.05830(2)01
0.20336(8)0.11799(7)-.10813(2)01
0.08971(8)0.20724(8)0.01726(13)01
0.33737(8)0.14112(8)0.13173(13)01
0.21879(8)0.22887(8)0.25095(12)01
0.1296(2)0.1275(2)-.0117(4)01
0.2263(12)0.0388(2)-.0963(4)01
0.1597(2)0.1325(2)-.2377(3)01
0.0293(3)0.2245(3)-.0904(4)01
0.0402(3)0.1902(3)0.1341(4)01.
0.2610(2)0.1498(2)0.2233(4)01
0.3512(3)0.0600(2)0.1249(4)01
0.4081(3)0.1773(3)0.2157(5)01
0.1415(3)0.2082(3)0.3139(4)01
0.2763(3)0.2680(3)0.3464(4)01
0.3894(3)0.1374(3)-.1510(5)01
0.4559(3)0.1247(3)-.1017(5)01
0.3704(3)0.1094(3)-.2542(4)01
-.1036(1)0.3063(1)-.0042(1)01
0.50.0148(1)0.2501
0-.1092(1)0.2501
0.2075(2)-.0073(2)0.1447(2)01
0.6220(3)0.0449(3)0.0618(5)01.
0.1172(13)0.0744(12)0.4462(23)0.086(6)0.547(8)
0.1172(13)0.0744(12)0.4462(23)0.086(6)0.273
0.0363(16)0.0408(17)0.2243(32)0.158(15)0.36(3)
0.0363(16)0.0408(17)0.2243(32)0.158(15)0.18
0.0349(15)-.0096(15)0.0893(25)0.091(10)0.26(2)
0.0349(15)-.0096(15)0.0893(25)0.091(10)0.13
0.0977(33)0.0922(31)0.4809(56)0.075(16)0.186(8)
0.0977(33)0.0922(31)0.4809(56)0.075(16)0.093
0.1001(28)0.0570(29)0.3461(52)0.097(21)0.16(3)
0.1001(28)0.0570(29)0.3461(52)0.097(21)0.08
06.
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Pt1(8f)3
P1(8f)3
P2(8f)3
P3(8f)3
P4(8f)3
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
O5(8f)-2
O6(8f)-2
O7(8f)-2
O8(8f)-2
O9(8f)-2
O10(8f)-2
N1(8f)3
O11(8f)-2
O12(8f)-2
K1(8f)1
K2(4e)1
K3(4e)1
K4(8f)1
O13(8f)-2
O14(8f)-2
N2(8f)3
O15(8f)-2
N3(8f)3
O16(8f)-2
N4(8f)3
O17(8f)-2
N5(8f)3
O18(8f)-2
N6(8f)3
H1(8f)1
0.0170(1)0.0176(1)0.0170(1)0.0008(1)0.0020(1)-.0013(1)
0.0229(6)0.0195(5)0.0219(5)-.0007(5)0.0011(4)-.0021(5)
0.0196(6)0.0256(6)0.0257(6)-.0023(5)0.0033(4)-.0031(5)
0.0226(6)0.0248(6)0.0210(5)0.0026(5)-.0003(4)0.0015(5)
0.0262(6)0.0253(6)0.0190(5)0.0006(5)0.0034(5)0.0014(5)
0.025(2)0.025(2)0.029(2)-.005(1)0.006(1)-.008(2)
0.032(2)0.022(2)0.036(2)0.001(2)0.002(2)-.002(2)
0.032(2)0.031(2)0.022(2)-.005(2)-.004(1)-.001(1)
0.025(2)0.037(2)0.039(2)-.005(2)-.003(2)-.004(2)
0.029(2)0.049(3)0.036(2)-.012(2)0.014(2)-.008(2)
0.029(2)0.026(2)0.023(2)0.003(1)0.003(1)0.004(1)
0.041(2)0.027(2)0.036(2)0.009(2)0.000(2)0.004(2)
0.029(2)0.051(3)0.027(2)-.006(2)-.007(2)0.007(2)
0.031(2)0.039(2)0.029(2)0.004(2)0.012(2)0.005(2)
0.046(3)0.035(2)0.022(2)-.003(2)-.005(2)0.001(2)
0.027(2)0.024(2)0.031(2)0.002(2)0.006(2)-.004(2)
0.026(2)0.049(3)0.055(3)0.009(2)0.000(2)-.014(2)
0.049(3)0.045(3)0.034(2)0.006(2)0.006(2)-.016(2)
0.037(1)0.037(1)0.035(1)-.001(1)0.001(1)0.000(1)
0.038(1)0.040(1)0.051(1)00.003(1)0
0.035(1)0.040(1)0.094(2)0-.022(1)0
0.146(2)0.122(2)0.065(1)-.093(2)-.035(2)0.056(1)
0.053(3)0.042(3)0.045(3)0.014(2)-.006(2)-.006(2)
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