# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-20T15:30:31+01:00
# 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 'Journal of the American Chemical Society') AND volume = 111 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
"4124645","20.067","","20.067","","13.411","","90","","90","","90","","5400.4","","","","","","","","","","","","","2","I -4 m 2","I -4 -2","119","","Si O2","","- O2 Si -","- O2 Si -","- O192 Si96 -","96","6","","Fyfe, C.A.; Strobl, H.; Gies, H.; Kokotailo, G.T.; Pasztor, C.; Cox, D.E.","Detailed investigation of the lattice structure of zeolite ZSM-11 by a combination of solid-state NMR and synchroton x-ray diffraction","Journal of the American Chemical Society","1989","111","","2470","2474","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124710","15.71","","12.671","","10.281","","113.62","","92.56","","79.54","","1843.04","","","","","","","","","","","","","5","P -1","-P 1","2","","K10 Mn2 V22 O64 (H2 O)20","","- H40 K10 Mn2 O84 V22 -","- K10 Mn2 O84 V22 -","- K10 Mn2 O84 V22 -","1","0.5","","Ichida, H.; Nagai, K.; Sasaki, Y.; Pope, M.T.","Heteropolyvanadates Containing Two and Three Manganese(IV) Ions: Unusual Structural Features of Mn2V22O64(10-) and Mn3V12O40H3(5-)","Journal of the American Chemical Society","1989","111","","586","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","169319","2020-10-21","18:00:00",""
"4124711","11.8","","16.555","","11.267","","102.91","","109.48","","86.88","","2022.07","","","","","","","","","","","","","5","P -1","-P 1","2","","K5 (H3 Mn3 V12 O40) (H2 O)8","","- H19 K5 Mn3 O48 V12 -","- K5 Mn3 O48 V12 -","- K10 Mn6 O96 V24 -","2","1","","Ichida, H.; Nagai, K.; Sasaki, Y.; Pope, M.T.","Heteropolyvanadates containing two and three manganese(IV) ions: Unusual structural features of Mn2 V22 O64(10-) and Mn3 V12 O40 H3(5-)","Journal of the American Chemical Society","1989","111","","586","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","169320","2020-10-21","18:00:00",""
"5000260","22.71","0.05","8.052","0.006","15.879","0.018","90","","95.72","0.09","90","","2889.19","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N4 O3 S -","- C15 H14 N4 O3 S -","- C120 H112 N32 O24 S8 -","8","1","","Jalal, M. A. F.; Hossain, M. B.; Van der Helm, Dick; Sanders-Loehr, J.; Actis, L. A.; Crosa, J. H.","Structure of anguibactin, a unique plasmid-related bacterial siderophore from the fish pathogen Vibrio anguillarum","Journal of the American Chemical Society","1989","111","1","292","296","10.1021/ja00183a044","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:30",""