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88thunder

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虫号: 753545
注册: 2009-04-20
专业: 有机分子功能材料化学

[求助] TOPOS40画出拓朴结构了，但无法给出拓朴符号？

奇怪，我用TOPOS40画出了拓朴结构，但系统无法分析拓朴符号？请高手赐教！！
附件里有我的画的拓朴图
这是结果
#######################################
2:C42 H38 Cd3 N4 O14/clusters at ring>6
#######################################

Structure consists of molecules (ZD1). The composition of molecule is C6H6N
Structure consists of molecules (ZD2). The composition of molecule is C6H6N
Structure consists of molecules (ZE1). The composition of molecule is C6H4
Structure consists of molecules (ZE2). The composition of molecule is C6H4
Structure consists of molecules (ZE3). The composition of molecule is C6H4
Structure consists of molecules (ZF1). The composition of molecule is C12H14N2O14Cd3
Structure consists of molecules (ZF2). The composition of molecule is C12H14N2O14Cd3
Topology for ZD1
--------------------
Atom ZD1 links by bridge ligands and has
Common vertex with                               R(A-A)       f Total SA
ZD 2 0.2893 0.3097 0.5541 ( 0 0 0)    3.950A       1  58.98
ZF 1 0.0000 0.3360 0.2500 ( 0 0 0)    7.321A       1  41.02
Topology for ZD2
--------------------
Atom ZD2 links by bridge ligands and has
Common vertex with                               R(A-A)       f Total SA
ZD 1 0.1641 0.3296 0.4502 ( 0 0 0)    3.950A       1  58.49
ZF 2 0.5000 0.4015 0.7500 ( 1 1 1)    7.371A       1  41.51
Topology for ZE1
--------------------
Atom ZE1 links by bridge ligands and has
Common vertex with                               R(A-A)       f Total SA
ZF 1 1.0000 0.3360 0.2500 ( 1 0 0)    5.926A       1  49.88
ZF 2 0.5000 -0.4015 0.2500 ( 0-1 0)    6.515A       1  50.12
Topology for ZE2
--------------------
Atom ZE2 links by bridge ligands and has
Common vertex with                               R(A-A)       f Total SA
ZF 1 0.0000 0.3360 0.2500 ( 0 0 0)    4.590A       1  49.68
ZF 2 0.5000 0.5985 0.2500 ( 0 0 0)    4.676A       1  50.32
Topology for ZE3
--------------------
Atom ZE3 links by bridge ligands and has
Common vertex with                               R(A-A)       f Total SA
ZF 2 0.5000 0.5985 0.2500 ( 0 0 0)    5.927A       1  50.02
ZF 1 0.0000 1.3360 0.2500 ( 0 1 0)    6.569A       1  49.98
Topology for ZF1
--------------------
Atom ZF1 links by bridge ligands and has
Common vertex with                               R(A-A)       f Total SA
ZE 2 0.2479 0.4626 0.2496 ( 0 0 0)    4.590A       1  14.19
ZE 2 -0.2479 0.4626 0.2504 ( 0 0 0)    4.590A       1  14.19
ZE 1 -0.2291 0.0695 0.3167 (-1 0 0)    5.926A       1  14.17
ZE 1 0.2291 0.0695 0.1833 ( 1 0 0)    5.926A       1  14.17
ZE 3 0.2770 -0.1294 0.3194 ( 0-1 0)    6.569A       1  14.25
ZE 3 -0.2770 -0.1294 0.1806 ( 0-1 0)    6.569A       1  14.25
ZD 1 0.1641 0.3296 0.4502 ( 0 0 0)    7.321A       1 7.39
ZD 1 -0.1641 0.3296 0.0498 ( 0 0 0)    7.321A       1 7.39
Topology for ZF2
--------------------
Atom ZF2 links by bridge ligands and has
Common vertex with                               R(A-A)       f Total SA
ZE 2 0.7521 0.4626 0.2504 ( 1 0 0)    4.676A       1  14.21
ZE 2 0.2479 0.4626 0.2496 ( 0 0 0)    4.676A       1  14.21
ZE 3 0.2770 0.8706 0.3194 ( 0 0 0)    5.927A       1  13.80
ZE 3 0.7230 0.8706 0.1806 ( 1 0 0)    5.927A       1  13.80
ZE 1 0.7709 1.0695 0.3167 ( 0 1 0)    6.515A       1  14.56
ZE 1 0.2291 1.0695 0.1833 ( 1 1 0)    6.515A       1  14.56
ZD 2 0.7107 0.6903 0.4459 ( 1 1 1)    7.371A       1 7.43
ZD 2 0.2893 0.6903 0.0541 ( 0 1-1)    7.371A       1 7.43
-------------------------
Structural group analysis
-------------------------

-------------------------
Structural group No 1
-------------------------
Structure consists of 3D framework with ZFZE3ZD2
Elapsed time: 2.45 sec.

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