# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T04:38:12+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemistry-A European Journal') AND volume = 26 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1559896","27.827","0.0011","27.827","0.0011","21.2262","0.0007","90","","90","","120","","14234.3","0.9","100","","100","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","N2,N2',N2''-(2,4,6-trimethylbenzene-1,3,5-triyl) tris[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] unknown solvate","","- C27 H33 N33 -","- C27 H33 N33 -","- C162 H198 N198 -","6","0.5","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.1187","0.0927","","","0.2953","0.3123","","","","","","1.025","","","","has coordinates,has disorder","260349","2021-01-02","01:34:21",""
"1559897","10.9174","0.0004","18.9758","0.0008","13.2699","0.0005","90","","93.486","0.002","90","","2743.99","0.18","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N2-(4,6-diamino-1,3,5-triazin-2-yl) -N2-phenyl-1,3,5-triazine-2,4,6-triamine dimethyl sulfoxide solvate","","- C18 H31 N11 O3 S3 -","- C18 H31 N11 O3 S3 -","- C72 H124 N44 O12 S12 -","4","0.5","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0598","0.0573","","","0.1544","0.1573","","","","","","1.047","","","","has coordinates,has disorder","260350","2021-01-02","01:34:33",""
"1559898","25.072","0.004","13.115","0.002","20.79","0.003","90","","112.824","0.006","90","","6300.9","1.7","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N2,N2'-(1,2-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate hydrate","","- C40 H70 N44 O11 S2 -","- C40 H70 N44 O11 S2 -","- C160 H280 N176 O44 S8 -","4","0.5","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0645","0.0637","","","0.1772","0.1779","","","","","","1.057","","","","has coordinates,has disorder","260351","2021-01-02","01:34:45",""
"1559899","16.7736","0.0004","21.5283","0.0005","22.2754","0.0005","90","","90","","90","","8043.8","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N2,N2'-(1,3-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate","","- C26 H44 N22 O4 S4 -","- C26 H44 N22 O4 S4 -","- C208 H352 N176 O32 S32 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.34139","GaKα","","0.0716","0.0658","","","0.1926","0.1973","","","","","","1.038","","","","has coordinates,has disorder","260352","2021-01-02","01:34:58",""
"1559900","21.2871","0.0005","21.2871","0.0005","32.0541","0.0007","90","","90","","90","","14525","0.6","150","","150","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","N2,N2'-(1,3-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate","","- C18 H20 N22 -","- C18 H20 N22 -","- C144 H160 N176 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.34139","GaKα","","0.0815","0.0491","","","0.1487","0.1709","","","","","","0.956","","","","has coordinates","260354","2021-01-02","01:35:12",""
"1559901","22.6297","0.0005","16.5486","0.0004","21.7786","0.0005","90","","90","","90","","8155.9","0.3","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","N2,N2'-(1,4-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide unknown solvate","","- C24 H38 N22 O3 S3 -","- C24 H38 N22 O3 S3 -","- C192 H304 N176 O24 S24 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0879","0.0855","","","0.2383","0.2397","","","","","","1.079","","","","has coordinates,has disorder","260355","2021-01-02","01:35:23",""
"1559902","16.7222","0.0007","22.2116","0.0009","16.9061","0.0007","90","","119.267","0.002","90","","5477.8","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N2,N2'-(1,4-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] benzene dimethyl sulfoxide solvate","","- C40 H62 N22 O5 S5 -","- C40 H62 N22 O5 S5 -","- C160 H248 N88 O20 S20 -","4","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0735","0.0699","","","0.2062","0.2088","","","","","","1.035","","","","has coordinates,has disorder","260356","2021-01-02","01:35:41",""
"1559903","29.648","0.003","34.503","0.003","17.411","0.0015","90","","107.839","0.004","90","","16954","3","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N2,N2',N2''-(benzene-1,3,5-triyl)tris[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] unknown solvate","","- C24 H27 N33 -","- C24 H27 N33 -","- C192 H216 N264 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.1043","0.0969","","","0.3721","0.3901","","","","","","1.083","","","","has coordinates","260357","2021-01-02","01:35:52",""