# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-07T15:32:51+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 'Industrial & Engineering Chemistry Research') AND volume = 59 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
"1558901","21.966","0.003","21.966","0.003","21.966","0.003","90","","90","","90","","10599","3","110","2","110","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C48 H20 Fe6 N6 O32 -","- C48 H19.98 Fe6 N6 O32 -","- C192 H79.92 Fe24 N24 O128 -","4","0.166667","","Gopalsamy, Karuppasamy; Babarao, Ravichandar","Heterometallic Metal Organic Frameworks for Air Separation: A Computational Study","Industrial & Engineering Chemistry Research","2020","59","35","15718","15731","10.1021/acs.iecr.0c02449","","","0.71073","MoKα","","0.0381","0.0332","","","0.0837","0.0856","","","","","","1","","","","has coordinates","257105","2020-10-21","18:00:00",""
"1559917","15.8859","0.0003","18.0676","0.0003","29.0581","0.0005","90","","90","","90","","8340.3","0.3","133","2","133","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C46 H54 N4 O4 -","- C46 H54 N4 O4 -","- C368 H432 N32 O32 -","8","1","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.084","0.0657","","","0.1375","0.1483","","","","","","1.118","","","","has coordinates","260400","2021-01-03","22:55:11",""
"1559918","29.7268","0.0014","8.238","0.0005","14.9613","0.0008","90","","96.354","0.003","90","","3641.4","0.3","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N4 O6 -","- C42 H42 N4 O6 -","- C168 H168 N16 O24 -","4","0.5","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.11","0.0816","","","0.1521","0.165","","","","","","1.201","","","","has coordinates","260400","2021-01-03","22:55:13",""
"1559919","19.0748","0.0003","24.0435","0.0005","10.5241","0.0002","90","","100.108","0.001","90","","4751.7","0.15","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H46 N4 O -","- C65 H46 N4 O -","- C260 H184 N16 O4 -","4","1","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.0993","0.0732","","","0.1659","0.1822","","","","","","1.072","","","","has coordinates","260400","2021-01-03","22:55:13",""
"1559920","13.3675","0.0002","17.592","0.0003","23.6397","0.0003","90","","103.771","0.001","90","","5399.34","0.14","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H103 Cl8 Hg4 N11 O -","- C114 H103 Cl8 Hg4 N11 O -","- C228 H206 Cl16 Hg8 N22 O2 -","2","0.5","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.065","0.0523","","","0.1275","0.1368","","","","","","1.028","","","","has coordinates,has disorder","260400","2021-01-03","22:55:13",""
"1559921","14.1838","0.0004","16.5506","0.0005","18.2325","0.0005","90","","107.324","0.001","90","","4085.9","0.2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Cl4 Hg2 N4 -","- C42 H38 Cl4 Hg2 N4 -","- C168 H152 Cl16 Hg8 N16 -","4","0.5","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.0528","0.0412","","","0.0853","0.0914","","","","","","1.173","","","","has coordinates","260400","2021-01-03","22:55:13",""
"1559922","24.931","0.0005","17.1047","0.0003","19.0875","0.0004","90","","118.802","0.001","90","","7132.7","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H50 Cl8 Hg3 N6 -","- C68 H50 Cl8 Hg3 N6 -","- C272 H200 Cl32 Hg12 N24 -","4","0.5","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.0506","0.0393","","","0.081","0.0861","","","","","","1.069","","","","has coordinates","260400","2021-01-03","22:55:13",""