# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-09-27T01:13:14+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 'J Mol. Struct') 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
"1577383","7.1156","0.0003","17.2446","0.0006","11.3834","0.0004","90","","104.235","0.004","90","","1353.92","0.09","293","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-diamino-6-(4-carboxyphenyl)-1,3,5-triazin-1-ium perchlorate monohydrate","","- C10 H12 Cl N5 O7 -","- C10 H12 Cl N5 O7 -","- C40 H48 Cl4 N20 O28 -","4","1","","Duy Tuan Doan; Thi Linh Giang Hoang; Thi Thom Nguyen; Thierry Maris; Phuong Nguyen-Triv","Functional organic ligands tailored by carboxylic acid and diaminotriazinyl for metal-organic framework preparations","J Mol. Struct","2026","1352","","144349","","10.1016/j.molstruc.2025.144349","","","1.54184","CuKα","","0.0454","0.0384","","","0.0965","0.101","","","","","","1.026","","","","has coordinates,has Fobs","306525","2026-06-09","18:11:31",""
"1577384","19.3873","0.0017","17.518","0.0016","7.5048","0.001","90","","90","","90","","2548.8","0.5","293","","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","2,4-diamino-6-(3-carboxyphenyl)-1,3,5-triazin-1-ium perchlorate","","- C10 H10 Cl N5 O6 -","- C10 H10 Cl N5 O6 -","- C80 H80 Cl8 N40 O48 -","8","1","","Duy Tuan Doan; Thi Linh Giang Hoang; Thi Thom Nguyen; Thierry Maris; Phuong Nguyen-Triv","Functional organic ligands tailored by carboxylic acid and diaminotriazinyl for metal-organic framework preparations","J Mol. Struct","2026","1352","","144349","","10.1016/j.molstruc.2025.144349","","","1.54184","CuKα","","0.0625","0.0531","","","0.1663","0.1775","","","","","","1.102","","","","has coordinates,has Fobs","306526","2026-06-09","18:11:35",""
"1577385","20.1086","0.0011","10.2969","0.0007","6.4819","0.0005","90","","91.571","0.006","90","","1341.61","0.16","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-diamino-4-(5-carboxypyridin-1-ium-2-yl)-1,3,5-triazin-1-ium dinitrate","","- C9 H10 N8 O8 -","- C9 H10 N8 O8 -","- C36 H40 N32 O32 -","4","1","","Duy Tuan Doan; Thi Linh Giang Hoang; Thi Thom Nguyen; Thierry Maris; Phuong Nguyen-Triv","Functional organic ligands tailored by carboxylic acid and diaminotriazinyl for metal-organic framework preparations","J Mol. Struct","2026","1352","","144349","","10.1016/j.molstruc.2025.144349","","","1.54184","CuKα","","0.0492","0.0438","","","0.1163","0.12","","","","","","1.126","","","","has coordinates,has disorder,has Fobs","306527","2026-06-09","18:11:48",""
"1577386","8.1019","0.0006","9.483","0.0006","10.3133","0.0006","65.665","0.006","69.956","0.006","80.086","0.006","677.8","0.09","293","","293","","","","","","","","","4","P -1","-P 1","2","","2,6-diamino-4-(4-carboxypyridin-1-ium-2-yl)-1,3,5-triazin-1-ium dinitrate","","- C9 H10 N8 O8 -","- C9 H10 N8 O8 -","- C18 H20 N16 O16 -","2","1","","Duy Tuan Doan; Thi Linh Giang Hoang; Thi Thom Nguyen; Thierry Maris; Phuong Nguyen-Triv","Functional organic ligands tailored by carboxylic acid and diaminotriazinyl for metal-organic framework preparations","J Mol. Struct","2026","1352","","144349","","10.1016/j.molstruc.2025.144349","","x-ray","1.54184","CuKα","","0.0496","0.0412","","","0.1046","0.1095","","","","","","1.062","","","","has coordinates,has Fobs","306528","2026-06-09","18:11:51",""
"1577387","21.6216","0.0007","11.8804","0.0004","6.6638","0.0002","90","","90","","90","","1711.75","0.1","293","","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","2,4-diamino-6-(3,5-dicarboxyphenyl)-1,3,5-triazine-1,3-diium diperchlorate","","- C11 H11 Cl2 N5 O12 -","- C11 H11 Cl2 N5 O12 -","- C44 H44 Cl8 N20 O48 -","4","0.5","","Duy Tuan Doan; Thi Linh Giang Hoang; Thi Thom Nguyen; Thierry Maris; Phuong Nguyen-Triv","Functional organic ligands tailored by carboxylic acid and diaminotriazinyl for metal-organic framework preparations","J Mol. Struct","2026","1352","","144349","","10.1016/j.molstruc.2025.144349","","","1.54184","CuKα","","0.0554","0.0521","","","0.1407","0.1434","","","","","","1.156","","","","has coordinates,has disorder,has Fobs","306529","2026-06-09","18:12:11",""
"1577388","17.6006","0.0007","18.2073","0.0008","21.6851","0.0009","90","","90","","90","","6949.2","0.5","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-[bis(m-2-(4,6-diamino-1,3,5-triazin-2-yl)pyridine-4-carboxylato)-manganese N,N-dimethylformamide solvate]","","- C27 H35 Mn N15 O7 -","- C27 H35 Mn N15 O7 -","- C216 H280 Mn8 N120 O56 -","8","1","","Duy Tuan Doan; Thi Linh Giang Hoang; Thi Thom Nguyen; Thierry Maris; Phuong Nguyen-Triv","Functional organic ligands tailored by carboxylic acid and diaminotriazinyl for metal-organic framework preparations","J Mol. Struct","2026","1352","","144349","","10.1016/j.molstruc.2025.144349","","x-ray","1.34139","GaKα","","0.1304","0.0666","","","0.1657","0.2021","","","","","","1.039","","","","has coordinates,has Fobs","306530","2026-06-09","18:12:19",""