SCSD model generated from precomputed using D4h symmetry, available as phthalocyanine

Table 1; Model atom positions

xyzat
-2.7567-1.1138-0.0C
-4.1495-0.6983-0.0C
-5.3338-1.4185-0.0C
-6.5161-0.6981-0.0C
-6.51610.69810.0C
-5.33381.41850.0C
-4.14950.69830.0C
-2.75671.11380.0C
-1.11382.75670.0C
-0.69834.14950.0C
-1.41855.33380.0C
-0.69816.51610.0C
0.69816.51610.0C
1.41855.33380.0C
0.69834.14950.0C
1.11382.75670.0C
2.75671.11380.0C
4.14950.69830.0C
5.33381.41850.0C
6.51610.69810.0C
6.5161-0.6981-0.0C
5.3338-1.4185-0.0C
4.1495-0.6983-0.0C
2.7567-1.1138-0.0C
1.1138-2.7567-0.0C
0.6983-4.1495-0.0C
1.4185-5.3338-0.0C
0.6981-6.5161-0.0C
-0.6981-6.5161-0.0C
-1.4185-5.3338-0.0C
-0.6983-4.1495-0.0C
-1.1138-2.7567-0.0C
-2.3833-2.3833-0.0N
-1.96370.0-0.0N
-2.38332.38330.0N
0.01.96370.0N
2.38332.38330.0N
1.9637-0.00.0N
2.3833-2.3833-0.0N
-0.0-1.9637-0.0N

Figure 2; Model atom positions and symmetry operations



ADOQOB, ADOQUH, AFAKIC, AFAKOI, AFAKUO, AGICIF, AJOGOW, AQAFIJ01, AQAFUV, BAMSEN, BAMSEN10, BANCUO, BARMAI, BASKOW, BASKUC, BASLAJ, BASLEN, BASLIR, BASLOX, BASLUD, BASMAK, BASMEO, BEJTIT, BELGEF, BEMMEN, BENWAV, BENWEZ, BENWID, BIPWUU, BITSAY, BITSAY01, BITSAY06, BITSAY07, CAJMEG01, CAMXUL, CAVPAT, CAVZAA, CEDVAJ, CEDVAJ01, CEDVEN, CEHKOQ, CINPAS, CINPEW, CIRZOU, CIZGIB02, CIZGIB06, CIZGIB07, COPTCY01, COPTCY05, COPTCY07, COPTCY08, COPTCY10, COPTCY11, COPTCY12, COSGUN, COVZIY, CPHCYT02, CUPOCY10, CUPOCY14, CUPOCY15, CUPOCY16, CUPOCY18, CUPOCY19, CUTGIH, CUWNUD, CUWPAL, CUWPAL01, DAGXUE, DAMTEQ, DAPCEC, DAPCIG, DAYYOR, DEFNUX, DIDTEP, DIQPIC, DIQPIC01, DIXNIH02, DIXNIH03, DOHLES, DOHLIW, DOHLOC, DOHYAA, DOXCOI, DPCYTH, DPCYTH01, DPCYTH03, DUJCUJ, DUJDAQ, DUJDEU, DUJDIY, DUJDOE, DUJDUK, DUJFAS, DUJFIA, DULZAL, ECOFOU, ECOLAM, EMEYOM, EXAVUW, EXAWEH, EYUKIS, EZOKOT02, FACBAP, FANTAS, FANZUP, FATHIS, FATTEC, FATTIG, FEDXUH, FEGJOQ, FEPHCY, FEPHCY03, FEPHCY04, FEPHCY06, FERYAE, FERYEI, FEVDOB, FEVDUH, FIJBEI, FIJBIM, FITKEZ, FITKID, FIYSEL01, FIYSEL02, FIYSEL03, FODLOZ, FOGNAT, FOGNEX, FOJFAO, FOLHAS, FOVVET, FOVWIY, FOVWUK, FUBFIU, FUBFOA, FUBFOA01, FUBGER, FUJPUW01, GAWBEL, GEDKAB, GEXNEF, GEXNIJ, GICYAV, GICYEZ, GICYOJ, GICZAW, GINXAF, GIZCUQ, HAJHEI, HATBAH, HATBEL, HAVZOU, HAVZUA, HAWBAJ, HAWBEN, HAZMOM, HETDIW, HETDIW01, HIMJIX01, HOBDUZ, HOBGEN, HOBGIR, HODKET, HODKIX, HODKOD, HODKUJ, HOGYUA, HOGYUA01, HOKQOP, HOLTEJ, HOLTIN, HOLTOT, HOLTUZ, HOLVAH, HOLWUC, HOTWOC, HUMFAY, HUVWOK, IBEHUV, ICIMUF, IDICAZ01, IGOSON, IGOSUT, IGOTAA, IHEKOV03, IJOSUX, ILEJAK, INUGEE, ITEDUH, IXUDAH, JAPTIG, JAPTIG01, JECGAZ01, JELJAO, JEQHIZ, JIQVEL, JISCUK, JOBFOX, JOBFUD, JOBGAK, JOWYOL, JUBPON, JUBPUT, JUFBEU, JUVJIT01, KARWOQ, KARWUW, KARXAD, KARXEH, KEHWUP, KEHXAW, KEHXEA, KETXAJ, KOBZEI, KOBZIM, KOBZOS, KODSII, KODSII02, KODSII03, KODSII04, KODSII05, KODSII06, KODTAB, KODTEF, KODVAD, KODVAD01, KODVAD02, KODVAD03, KODVAD04, KODVAD05, KODVAD06, KUFTOX, KUHGAW, LAFVUM, LAFWAT, LAFWEX, LAFWIB, LAFWOH, LAFXIC, LAMMUJ, LEYQIS, LEYQOY, LEYQUE, LUDHIE, MERHID, MERHOJ, MERHUP, MERJAX, MERJEB, MERJIF, MERJOL, MERJUR, MERKAY, MGPCPH, MIKRUV, MIKSAC, MIKSEG, MIVZOJ, MNPHCY, MNPHCY02, MNPHCY03, MNPHCY11, MNPHCY21, MNPHCY23, MORTOD, MPCOPC10, NAQHAP, NAQHET, NAQHIX, NAQHOD, NEBFEH, NEBFIL, NEJCUD, NEJDAK, NEQPIL, NIPHTC, NIPHTC05, NIPHTC06, NIPHTI, NIZGUB, NOCTII, NODVEK, NODVIO, NUGSEO, NUSXIL, NUTGEQ, OCIREZ, ODIMUJ, ODINAQ, ODIQOH, OHUNOU01, OLIZEQ, OLIZIU, OQEMUT, OQENAA, OQOZAX, ORADES, ORADIW, OSASIL, OSASOR, OWEDAX, PAYWIW, PAYWOC, PBPHCY01, PCPCOS, PEDPUL, PEDQAS, PEDQEW, PENPAA, PEYKAG, PHCPMP10, PHPRSI, PHTHCY01, PHTHCY08, PHTHCY13, PHTHCY14, PHTHFE, PILBER, PIPSUF, PIXGUA, POLWOF, POLWUL, POLXAS, POLXIA, POLXOG, POLYEX, PTCYFE01, PTHCZN, PTHCZN02, PTHCZN03, PTPOCY02, PTPOCY10, PTPOCY11, PULZOO, PUMDIN, QAKVEG, QASPAE, QEHTEF, QEHTIJ, QENHUP, QIFKOI, QIFKUO, QIFLAV, QIHPEF, QILWAJ, QOKKIL, QOKKOR, QOKKUX, QUDSOZ, QUSFER, RADPIV, RATLUV, RATMAC, RATMIK, RIBCOX, ROLHIL, ROLHOR, ROPNUI, SACMAL, SAZLIQ, SERLIN, SERLOT, SERLUZ, SERMAG, SEZQOF, SEZQUL, SILPEI, SNPHCY, SOTGAJ, SOTJAP, SOTJAP01, SOTJUJ, SOZBUE, SOZBUE01, SOZZIS, SPCNFE, SULZIL, TACFEK, TACFIO, TACFOU, TAQTUD, TAXFOP, TAXFUV, TAYSIV, TEPDAW, TEPGUT, TEPHAA, TICZUD, TIJRUC, TIKGOL01, TINWAQ, TINXEV, TISMIU, TISMOA, TISQOE, TOHQUF, TOJYUP, TOJZAW, TOKHEJ, TOVPAX, TOZJUQ, TOZKAX, TOZKAX01, TOZKIF, TUXJEC, TUXJIG, TUXJOM, TUXXAL01, UFADAG, UFADEK, UFADIO, UFADOU, UFADUA, UFERAB, UFEREF, UFONUA, UQAKOO, UQAKUU, UQALAB, UQALEF, UQALIJ, UYUVAM, VACVIG, VAFMIY, VAJKAT, VAJKAT01, VAJKEX, VAJKEX01, VEKGIE, VENDAT10, VIGQUY, VIGRAF, VIGRUZ, VIHRIQ, VIHROW, VIPBII, VIPBII01, VIPBUU, VIPCAB, VIPCIJ, VPHTHC, WADZOR, WEWPUM, WIJYUK, WIJZAR, WIJZEV, WIMCED, WONKIV, WOPZOQ01, XAHZIR, XAHZOX, XAKTEL, XAKTIP, XAKTOV, XANYAP, XEZZEK, XEZZIO, XEZZOU, XEZZUA, XIBQAD, XIRYAB, XOLQUN, XOLQUN01, XOLQUN02, XOLQUN03, XOLQUN04, XOLQUN05, XOLQUN06, XOLQUN07, XOLQUN08, XOLQUN09, XOLQUN10, XOLRAU, XOLRIC, XOLRUO, XOLTUQ, XOPHAO, XOPHES, XOPHIW, XOPHOC, XOPHUI, XOPJEU, XOPJUK, XOPKAR, YAVRIZ, YEFZAM, YEFZEQ, YEFZIU, YEFZOA, YEGTIN, YEGTOT, YEGTUZ, YEJLIL, YEJLOR, YEXCIQ, YICQIN, YICQOT, YIMLUD, YIMMAK, YIMMUE, YOHMAJ, ZAQBOL, ZAQBUR, ZEQNOB, ZEQNUH, ZISBUB, ZOCMUB, ZOCNAI, ZOCNEM, ZUHCIO, ZUVVUK