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, ATUVIV, ATUVOB, ATUVUH, BAXDOU, BEGGIE, BOZHAB, CASNIW, DADBUG, DADWUD, DADXAK, DIMFIR, DIMFOX, DIMFUD, DIMGAK, DOSBUJ, DOSCAQ, FIYQEL, FIYQOV, GEHYEX, GEHYIB, HOGHAM, HOGHEQ, IHAZUO, IHEBAA, INOPOR, INOPOR01, IXEQUX, JAKNAN, JAKNER, JULVUK, JULWAR, KIJGUF, KIJGUF01, KIJGUF02, KUWQUP, LAZFUN, LAZGAU, LAZGEY, LAZGEY01, LAZGIC, LUQPET, LUQPIX, MOFSOS, MOFSUY, MOFTAF, MOFTEJ, MOFTIN, MUHXIW, NITQAJ, OCIQUO, OXESUG, PALLAS, PALLEW, PALLIA, RITZOM, SAPXIT, SAPXOZ, SAVHAZ, SOWMEW, SOWMIA, SOYCOA, SOZVAG, SUMWIG, SUMWOM, SUZXEQ, TOLYEA, TOLYIE, TOLYOK, UFIVUB, UFIWAI, UFIWEM, VEPBUQ, VOZVOY, WARHII, WEJLIH, XELDUP, XURMAY, XURMEC, XURMIG, YESXUP, YESXUP10, YEYMOE, YUPGEX, YUPGIB, YURZIV, YURZOB, ZAGJUP, ZEGGIE, ZEGGOK