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ICSD for WWW : Details

ICSD for WWW

Details of the selected entries


1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=1802 Help
TitleThe crystal and molecular structure of sulfatobis(thiocarbonohydrazide- N,S) copper(II) tetrahydrate.
AuthorsBigoli, F.; Pellinghelli, M.A.; Tiripicchio, A.; Tiripicchio Camellini, M.
ReferenceActa Crystallographica B (1975) 31, 55-59
Link XRef SCOPUS SCIRUS Google
CompoundC2 H20 Cu1 N8 O8 S3 - Sulfatobis(thiocarboxohydrazide)copper tetrahydrate [ABC2X2Y8Z8] [mP168] [e22] []
Cell13.430(5), 8.340(3), 17.070(9), 90., 122.8(1), 90.
P121/C1 (14) V=1607.12
RemarksR=0.044000 : MXD =S :
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.
Cell in P121/n1 setting: c'=14.945, beta'=106.25

Atom (site) Oxid. x, y, z, B, Occupancy
Cu1(4e)2
S1(4e)-2
S2(4e)-2
S3(4e)6
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
N1(4e)-2
N2(4e)-2
N3(4e)-2
N4(4e)-2
N5(4e)-2
N6(4e)-2
N7(4e)-2
N8(4e)-2
C1(4e)4
C2(4e)4
H1(4e)1
H2(4e)1
H3(4e)1
H4(4e)1
H5(4e)1
H6(4e)1
H7(4e)1
H8(4e)1
H9(4e)1
H10(4e)1
H11(4e)1
H12(4e)1
H13(4e)1
H14(4e)1
H15(4e)1
H16(4e)1
H17(4e)1
H18(4e)1
H19(4e)1
H20(4e)1
0.1298(1)0.0415(1)0.1463(1)01
0.0707(1)0.2173(2)0.028(1)01
0.3004(1)-.0255(2)0.1580(1)01
0.2009(1)0.2377(1)0.3627(1)01
0.1757(3)0.0781(4)0.3862(3)01
0.0871(3)0.3203(4)0.3012(3)01
0.2591(4)0.2167(5)0.3116(3)01
0.2734(4)0.3313(5)0.4480(3)01
0.0643(3)0.5533(4)0.1761(3)01
0.3725(4)0.4031(5)0.2426(3)01
0.3067(4)0.6599(5)0.4436(3)01
0.5066(5)0.1379(8)0.4396(5)01
-.0952(4)0.2067(5)0.0689(3)01
0.2842(4)-.1917(5)0.2846(3)01
-.0188(4)0.0990(5)0.1416(3)01
0.1699(4)-.1263(5)0.2441(3)01
-.1332(4)0.3717(5)-.0514(3)01
0.4598(4)-.2086(6)0.2915(3)01
-.2426(4)0.4219(5)-.0677(3)01
0.4977(4)-.3100(7)0.3733(3)01
-.0611(4)0.2683(6)0.0160(3)01
0.3520(4)-.1499(6)0.2532(4)01
-.1697(39)0.2193(57)0.0563(31)1.321
0.3197(49)-.2577(72)0.3384(39)3.471
-.0712(45)0.0136(66)0.1376(36)2.621
0.1206(42)-.2012(60)0.2257(33)1.861
0.0051(43)0.1572(62)0.1947(34)2.121
0.1697(42)-.0797(61)0.2905(33)1.941
-.1047(42)0.4076(60)-.0829(33)1.831
0.5212(48)-.1829(70)0.2812(37)3.091
-.2924(51)0.3371(73)-.0808(40)3.71
0.5791(55)-.2686(82)0.4153(44)4.721
-.2210(45)0.4825(67)-.0151(36)2.741
0.4930(58)-.4038(84)0.3514(46)5.281
-.0125(49)0.5626(71)0.1519(39)3.471
0.0870(49)0.4827(72)0.2222(38)3.471
0.3251(58)0.3636(83)0.2638(46)5.221
0.3121(59)0.4703(90)0.1951(46)5.71
0.3833(55)0.7058(81)0.4897(43)4.51
0.3275(70)0.563(11)0.4392(56)7.961
0.4996(79)0.173(11)0.4904(62)8.521
0.4197(69)0.144(10)0.3990(55)7.681
Atom (site) Oxid. B11, B22, B33, B12, B13, B23
Cu1(4e)2
S1(4e)-2
S2(4e)-2
S3(4e)6
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
N1(4e)-2
N2(4e)-2
N3(4e)-2
N4(4e)-2
N5(4e)-2
N6(4e)-2
N7(4e)-2
N8(4e)-2
C1(4e)4
C2(4e)4
H1(4e)1
H2(4e)1
H3(4e)1
H4(4e)1
H5(4e)1
H6(4e)1
H7(4e)1
H8(4e)1
H9(4e)1
H10(4e)1
H11(4e)1
H12(4e)1
H13(4e)1
H14(4e)1
H15(4e)1
H16(4e)1
H17(4e)1
H18(4e)1
H19(4e)1
H20(4e)1
2.130(22)1.306(20)2.321(25)0.288(20)1.501(20)0.408(21)
2.525(53)1.743(46)2.885(58)0.328(41)1.971(47)0.681(44)
2.438(51)2.030(49)2.866(58)0.136(43)1.878(46)0.341(46)
2.062(48)1.493(44)1.955(50)0.043(38)1.062(41)0.117(39)
3.567(175)1.525(142)2.710(166)0.317(123)2.133(146)0.607(120)
2.904(164)1.835(146)2.610(165)0.601(127)1.357(139)0.326(125)
4.392(208)3.134(186)5.246(234)-.041(164)3.883(196)0.283(175)
4.640(234)3.030(195)2.930(192)-1.208(175)0.372(175)-.367(159)
3.012(160)2.286(150)2.618(160)0.039(134)1.907(137)0.543(134)
2.909(174)3.147(182)3.813(201)0.093(146)1.880(159)0.926(158)
2.963(170)2.795(171)3.658(196)0.435(144)1.924(154)0.607(151)
4.418(282)6.979(373)7.962(387)-.319(264)0.739(268)-.522(312)
1.920(159)2.106(170)1.614(165)0.212(137)1.003(136)0.560(142)
1.902(166)2.436(184)2.494(191)0.595(144)1.325(151)0.569(155)
2.132(169)1.481(152)2.075(177)0.076(132)1.212(147)0.373(135)
1.974(165)1.59(16)2.096(183)0.048(132)1.105(145)0.254(137)
2.269(176)1.402(160)2.606(198)0.211(136)1.256(155)0.470(143)
2.024(176)2.969(208)2.904(206)0.564(156)1.218(162)0.224(172)
2.450(182)2.064(184)2.395(198)0.179(145)1.217(158)0.152(147)
3.018(216)3.912(244)2.665(212)1.306(188)1.385(180)0.379(187)
2.102(192)1.402(170)1.339(187)-.203(147)1.019(158)-.157(145)
2.331(205)1.335(174)2.315(218)-.248(156)1.393(178)-.699(159)
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