SCSD model generated from precomputed using D2h symmetry, available as porphycene
Table 1; Model atom positions
x | y | z | at |
0.7052 | 2.415 | -0.0 | C |
1.5918 | 3.5337 | -0.0 | C |
2.8513 | 3.0389 | -0.0 | C |
2.7636 | 1.6084 | -0.0 | C |
3.8568 | 0.7029 | -0.0 | C |
3.8568 | -0.7029 | 0.0 | C |
2.7636 | -1.6084 | 0.0 | C |
2.8513 | -3.0389 | 0.0 | C |
1.5918 | -3.5337 | 0.0 | C |
0.7052 | -2.415 | 0.0 | C |
-0.7052 | -2.415 | 0.0 | C |
-1.5918 | -3.5337 | 0.0 | C |
-2.8513 | -3.0389 | 0.0 | C |
-2.7636 | -1.6084 | 0.0 | C |
-3.8568 | -0.7029 | 0.0 | C |
-3.8568 | 0.7029 | -0.0 | C |
-2.7636 | 1.6084 | -0.0 | C |
-2.8513 | 3.0389 | -0.0 | C |
-1.5918 | 3.5337 | -0.0 | C |
-0.7052 | 2.415 | -0.0 | C |
1.4336 | 1.273 | -0.0 | N |
1.4336 | -1.273 | 0.0 | N |
-1.4336 | -1.273 | 0.0 | N |
-1.4336 | 1.273 | -0.0 | N |
Figure 2; Model atom positions and symmetry operations
ASISAX, ATUVER, ATUVER, ATUVIV, ATUVOB, ATUVUH, ATUVUH, BAXDOU, BEGGIE, BEGGIE, BOZHAB, CAJJOQ, CAJJUW, CAJKAD, CAJKEH, CAJKEH, CAJKIL, CAJKOR, CAJKUX, CASNIW, DADBUG, DADBUG, DADWUD, DADXAK, DIMFIR, DIMFOX, DIMFUD, DIMGAK, DOFPOD, DOSBUJ, DOSCAQ, ECIGIK, ECIGOQ, EWIGUP, EWIHAW, FAGMUW, FAGNAD, FIBWOG, FIBWOG, FIYQEL, FIYQIP, FIYQOV, FUTTOG, FUTTOG, GAGQEO, GEHYAT, GEHYEX, GEHYIB, GODYAC, GUWSAV, GUWSEZ, GUWZEG, GUWZIK, GUWZOQ, GUWZOQ, GUWZOQ, HAQQID, HERBUB, HEVPOO, HOGHAM, HOGHEQ, IHAZUO, IHEBAA, INOPOR, INOPOR01, IPELEX, IPELEX, IPELIB, IPELOH, IXEQUX, JAKNAN, JAKNAN, JAKNAN01, JAKNAN01, JAKNER, JAKNER, JULVUK, JULWAR, KIJGUF, KIJGUF01, KIJGUF02, KUWQUP, LAZFUN, LAZGAU, LAZGEY, LAZGEY01, LAZGIC, LUQNUH, LUQPAP, LUQPET, LUQPET, LUQPIX, MIYZIG, MOFSOS, MOFSOS, MOFSUY, MOFTAF, MOFTEJ, MOFTIN, MOPKOS, MUHXIW, NITQAJ, NIVJAE, NOJHUP, NUJSAO, OCIQUO, OCOHAR, OCOHEV, OCOHEV, OCOHIZ, OXESUG, PALLAS, PALLEW, PALLIA, PALLIA, POFKAW, PUXNED, QANVOU, QANVUA, QANWAH, QELGIB, QELGOH, QELGOH, QEMHEZ, QEMHID, QEMHID, QUGPIT, QUGPOZ, QUGPOZ, RAXVIX, RITZOM, RITZOM, SAPXIT, SAPXOZ, SAVHAZ, SOWMEW, SOWMIA, SOYCOA, SOZVAG, SUMWIG, SUMWIG, SUMWOM, SUZXEQ, TOLYEA, TOLYIE, TOLYOK, TOLYOK, UFIVUB, UFIWAI, UFIWEM, VEPBUQ, VEPBUQ, VISCEI, VOZVOY, WARHII, WEJLIH, XELDUP, XUKYAF, XURMAY, XURMEC, XURMIG, YESXUP, YESXUP10, YEYMOE, YEYMOE, YEYMOE, YOFYEX, YUKJOD, YUPGEX, YUPGIB, YUPGOH, YUPGUN, YURZIV, YURZOB, YUXFOP, YUXFUV, YUXFUV, YUXFUV, ZAFREG, ZAFRUW, ZAGJUP, ZASPUI, ZEGGIE, ZEGGOK