# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-30T23:26:56+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 'Industrial & Engineering Chemistry Research') AND volume = 51 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
"1507648","12.7992","0.0004","13.6438","0.0003","14.6775","0.0006","90","","107.472","0.0014","90","","2444.87","0.14","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 B N6 O -","- C31 H19 B N6 O -","- C124 H76 B4 N24 O4 -","4","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","One Well-Placed Methyl Group Increases the Solubility of Phenoxy Boronsubphthalocyanine Two Orders of Magnitude","Industrial & Engineering Chemistry Research","2012","51","18","6290","","10.1021/ie202998f","","","0.71073","MoKα","","0.1528","0.0567","","","0.129","0.1722","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507649","12.7554","0.0006","13.8025","0.0005","16.3892","0.0008","90","","91.924","0.002","90","","2883.8","0.2","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 B N6 O -","- C37 H25 B N6 O -","- C148 H100 B4 N24 O4 -","4","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","One Well-Placed Methyl Group Increases the Solubility of Phenoxy Boronsubphthalocyanine Two Orders of Magnitude","Industrial & Engineering Chemistry Research","2012","51","18","6290","","10.1021/ie202998f","","","0.71073","MoKα","","0.1794","0.0619","","","0.1316","0.1788","","","","","","0.991","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507650","8.428","0.0003","11.2988","0.0007","14.0713","0.0009","77.85","0.003","80.886","0.004","77.164","0.003","1268.42","0.12","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H21 B N6 O -","- C32 H21 B N6 O -","- C64 H42 B2 N12 O2 -","2","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","One Well-Placed Methyl Group Increases the Solubility of Phenoxy Boronsubphthalocyanine Two Orders of Magnitude","Industrial & Engineering Chemistry Research","2012","51","18","6290","","10.1021/ie202998f","","","0.71073","MoKα","","0.1639","0.0598","","","0.1262","0.1677","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507651","12.3006","0.0004","13.8287","0.0007","17.4739","0.0007","90","","90.754","0.002","90","","2972.1","0.2","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 B N6 O -","- C38 H27 B N6 O -","- C152 H108 B4 N24 O4 -","4","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","One Well-Placed Methyl Group Increases the Solubility of Phenoxy Boronsubphthalocyanine Two Orders of Magnitude","Industrial & Engineering Chemistry Research","2012","51","18","6290","","10.1021/ie202998f","","","0.71073","MoKα","","0.1557","0.0735","","","0.1759","0.2322","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507652","14.1588","0.0004","7.1036","0.0002","13.577","0.0004","90","","90","","90","","1365.55","0.07","100","2","100","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C5 H9 N3 O2 -","- C5 H9 N3 O2 -","- C40 H72 N24 O16 -","8","1","","Kang, Sung Ok; Vukovic, Sinisa; Custelcean, Radu; Hay, Benjamin P.","Cyclic Imide Dioximes: Formation and Hydrolytic Stability","Industrial & Engineering Chemistry Research","2012","51","19","6619","","10.1021/ie300492z","","","1.54178","CuKα","","0.0426","0.0402","","","0.1122","0.1135","","","","","","1.163","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507653","12.2405","0.0016","14.1448","0.0019","4.6082","0.0006","90","","90","","90","","797.86","0.18","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","0.5","","Kang, Sung Ok; Vukovic, Sinisa; Custelcean, Radu; Hay, Benjamin P.","Cyclic Imide Dioximes: Formation and Hydrolytic Stability","Industrial & Engineering Chemistry Research","2012","51","19","6619","","10.1021/ie300492z","","","0.71073","MoKα","","0.0517","0.0466","","","0.1186","0.1229","","","","","","1.109","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1508509","11.8398","0.0012","12.029","0.0012","14.8387","0.0015","75.089","0.002","82.148","0.002","89.399","0.002","2022.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Cyanex-301","","","- C16 H35 P S2 -","- C16 H35 P S2 -","- C64 H140 P4 S8 -","4","2","","Marc, Philippe; Custelcean, Radu; Groenewold, Gary S.; Klaehn, John R.; Peterman, Dean R.; Delmau, Lætitia H.","Degradation of CYANEX 301 in Contact with Nitric Acid Media","Industrial & Engineering Chemistry Research","2012","51","40","13238","","10.1021/ie300757r","","","0.71073","MoKα","","0.0799","0.0552","","","0.1364","0.1536","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508510","8.3942","0.0008","9.6626","0.001","26.242","0.003","90","","90.562","0.002","90","","2128.4","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H38 N P S2 -","- C16 H38 N P S2 -","- C64 H152 N4 P4 S8 -","4","0.5","","Marc, Philippe; Custelcean, Radu; Groenewold, Gary S.; Klaehn, John R.; Peterman, Dean R.; Delmau, Lætitia H.","Degradation of CYANEX 301 in Contact with Nitric Acid Media","Industrial & Engineering Chemistry Research","2012","51","40","13238","","10.1021/ie300757r","","","0.71073","MoKα","","0.0862","0.0548","","","0.1224","0.1322","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508511","23.8827","0.0019","11.9249","0.001","21.0028","0.0017","90","","114.789","0.001","90","","5430.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H72 N4 O23 Zn6 -","- C36 H64 N4 O23 Zn6 -","- C144 H256 N16 O92 Zn24 -","4","0.5","","Shahid, Muhammad; Hamid, Mazhar; Tahir, Asif A.; Mazhar, Muhammad; Malik, Mohammad A.; Helliwell, Madeleine","Nanostructured ZnO Thin Films for Optical, Electrical, and Photoelectrochemical Applications from a New Zn Complex","Industrial & Engineering Chemistry Research","2012","51","50","16361","","10.1021/ie302398m","","","0.71073","MoKα","","0.0427","0.0318","","","0.074","0.0779","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""