# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-10T22:28:55+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 'Plos One') 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
"1548559","8.6489","0.0013","10.414","0.0015","27.136","0.004","90","","90","","90","","2444.1","0.6","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl N2 O5 -","- C27 H25 Cl N2 O5 -","- C108 H100 Cl4 N8 O20 -","4","1","","Muneer Ahamed; Bun Chan; Paul Jensen; Matthew H. Todd","The Outcome of the Oxidations of Unusual Enediamide Motifs Is Governed by the Stabilities of the Intermediate Iminium Ions","Plos One","2012","7","","47224","","10.1371/journal.pone.0047224","","","0.71073","MoKα","","0.0685","0.0334","","","0.0366","0.0397","","","","","","0.934","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548560","10.449","0.002","15.744","0.002","10.855","0.002","90","","100.646","0.005","90","","1755","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Muneer Ahamed; Bun Chan; Paul Jensen; Matthew H. Todd","The Outcome of the Oxidations of Unusual Enediamide Motifs Is Governed by the Stabilities of the Intermediate Iminium Ions","Plos One","2012","7","","47224","","10.1371/journal.pone.0047224","","","0.71073","MoKα","","0.0591","0.0504","","","0.1324","0.1398","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548582","12.9884","0.0009","17.0042","0.0012","13.3251","0.0009","90","","90.318","0.002","90","","2942.9","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Chlorido[tris(<i>p</i>-tolylarsane)gold(I)","","- C21 H21 As Au Cl -","- C21 H21 As Au Cl -","- C126 H126 As6 Au6 Cl6 -","6","3","","Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli","Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study","Plos One","2015","10","","e0119620","","10.1371/journal.pone.0119620","","","0.71073","MoKα","","0.0437","0.0427","","","0.1079","0.1086","","","","","","1.012","","","","has coordinates","204686","2020-10-21","18:00:00",""
"1548583","11.6328","0.0011","14.0632","0.0012","11.9721","0.0011","90","","90","","90","","1958.6","0.3","100","0.1","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Chlorido[tris(<i>m</i>-tolylarsane)gold(I)","","- C21 H21 As Au Cl -","- C21 H21 As Au Cl -","- C84 H84 As4 Au4 Cl4 -","4","0.5","","Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli","Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study","Plos One","2015","10","","e0119620","","10.1371/journal.pone.0119620","","","0.71073","MoKα","","0.0506","0.0375","","","0.0855","0.0911","","","","","","1.148","","","","has coordinates,has disorder","204687","2020-10-21","18:00:00",""
"1548584","17.4293","0.0004","14.8826","0.0004","11.5267","0.0003","90","","116.607","0.002","90","","2673.31","0.13","100","0.1","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2.2.4 bis(diphenylarsane)ethane bis[chloridogold(I)]","","- C26 H24 As2 Au2 Cl2 -","- C26 H24 As2 Au2 Cl2 -","- C104 H96 As8 Au8 Cl8 -","4","0.5","","Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli","Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study","Plos One","2015","10","","e0119620","","10.1371/journal.pone.0119620","","","0.71073","MoKα","","0.0398","0.028","","","0.0675","0.0728","","","","","","1.034","","","","has coordinates","204688","2020-10-21","18:00:00",""
"1548585","9.4715","0.0003","18.0504","0.0005","16.0002","0.0005","90","","96.461","0.001","90","","2718.09","0.14","100","0.1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2.2.5 Chlorido(tris-naphthylarsane)gold(I)","","- C31 H23 As Au Cl3 -","- C31 H23 As Au Cl3 -","- C124 H92 As4 Au4 Cl12 -","4","1","","Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli","Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study","Plos One","2015","10","","e0119620","","10.1371/journal.pone.0119620","","","0.71073","MoKα","","0.0403","0.0287","","","0.0627","0.0665","","","","","","1.018","","","","has coordinates","214153","2020-10-21","18:00:00",""