SCSD model generated from precomputed using C2v symmetry, available as texaphyrin_2

Table 1; Model atom positions

xyzat
-1.08890.0-3.462C
-0.67220.0-4.8482C
0.67220.0-4.8482C
1.08890.0-3.462C
2.43460.0-3.0759C
3.01230.0-1.8193C
3.1467-0.00.353C
4.49910.0-0.1281C
4.41730.0-1.482C
2.6445-0.01.6907C
0.7125-0.03.0875C
1.3983-0.04.317C
0.7189-0.05.499C
-0.7189-0.05.499C
-1.3983-0.04.317C
-0.7125-0.03.0875C
-2.6445-0.01.6907C
-3.1467-0.00.353C
-3.01230.0-1.8193C
-4.41730.0-1.482C
-4.49910.0-0.1281C
-2.43460.0-3.0759C
0.00.0-2.6288N
2.27370.0-0.6722N
1.3472-0.01.8549N
-1.3472-0.01.8549N
-2.27370.0-0.6722N

Figure 2; Model atom positions and symmetry operations



Database not on this server - contact Chris Kingsbury at ckingsbury@ccdc.cam.ac.uk for data