# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-17T17:25:54+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 'Journal of Chemical Education') 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
"1516491","10.166","0.004","10.166","0.004","10.166","0.004","90","","90","","90","","1050.6","0.7","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate dihydrate","","","- C6 H4 Cd N6 O2 Pt -","- C6 Fe2 K2 N6 -","- C24 Fe8 K8 N24 -","4","0.0208333","","Ware, Mike","Prussian Blue: Artists' Pigment and Chemists' Sponge","Journal of Chemical Education","2008","85","5","612","","10.1021/ed085p612","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516492","10.166","0.004","10.166","0.004","10.166","0.004","90","","90","","90","","1050.6","0.7","25","2","25","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Fe2 N6 -","- C24 Fe8 N24 -","4","0.0208333","","Ware, Mike","Prussian Blue: Artists' Pigment and Chemists' Sponge","Journal of Chemical Education","2008","85","5","612","","10.1021/ed085p612","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520292","5.615","0.016","10.35","0.03","11.29","0.03","90","","102.9","0.03","90","","640","3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N O S -","- C11 H14 Cl N O S -","- C22 H28 Cl2 N2 O2 S2 -","2","1","","Chen, Xiao-Yang; Sun, Li-Sen; Gao, Xiang; Sun, Xing-Wen","Diastereoselective Allylation ofN-tert-Butanesulfinyl Imines: An Asymmetric Synthesis Experiment for the Undergraduate Organic Laboratory","Journal of Chemical Education","2015","92","4","714","","10.1021/ed500292q","","","0.71073","MoKα","","0.0508","0.0352","","","0.08","0.0995","","","","","","1.153","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540736","8.5418","0.0014","6.32","0.0012","11.847","0.002","90","","107.98","0.02","90","","608.3","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","0.5","","Ma, Xiaofeng; Sun, Rui; Cheng, Jinghui; Liu, Jiaoyan; Gou, Fei; Xiang, Haifeng; Zhou, Xiangge","Fluorescence Aggregation-Caused Quenching versus Aggregation-Induced Emission: A Visual Teaching Technology for Undergraduate Chemistry Students","Journal of Chemical Education","2016","93","2","345","","10.1021/acs.jchemed.5b00483","","","0.71073","MoKα","","0.0719","0.0453","","","0.0828","0.0941","","","","","","1.026","","","","has coordinates","186955","2020-10-21","18:00:00",""
"1549067","6.1903","0.0003","35.9841","0.0018","14.2498","0.0007","90","","98.3233","0.0017","90","","3140.7","0.3","","","119.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18.5 N4 -","- C18 H18.5 N4 -","- C144 H148 N32 -","8","2","","Bazley, Isabel J.; Erie, Ellen A.; Feiereisel, Garrett M.; LeWarne, Christopher J.; Peterson, Jack M.; Sandquist, Katherine L.; Oshin, Kayode D.; Zeller, Matthias","X-ray Crystallography Analysis of Complexes Synthesized with Tris(2-pyridylmethyl)amine: A Laboratory Experiment for Undergraduate Students Integrating Interdisciplinary Concepts and Techniques","Journal of Chemical Education","2018","","","","","10.1021/acs.jchemed.7b00685","","","0.71073","MoKα","","0.2028","0.1748","","","0.4848","0.5057","","","","","","4.0807","","","","has coordinates","206950","2020-10-21","18:00:00",""
"1553244","11.6881","0.0013","17.6933","0.0019","12.7663","0.0014","90","","97.516","0.001","90","","2617.4","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","12156a","","","- C37 H28 O -","- C37 H28 O -","- C148 H112 O4 -","4","1","","Hoang, Giang T.; Kubo, Tomohiro; Young, Victor G.; Kautzky, Jacob A.; Wissinger, Jane E.","Illustrating the Utility of X-ray Crystallography for Structure Elucidation through a Tandem Aldol Condensation/Diels‒Alder Reaction Sequence","Journal of Chemical Education","2015","92","8","1381","","10.1021/acs.jchemed.5b00027","","","0.71073","MoKα","","0.0584","0.0414","","","0.0951","0.1055","","","","","","1.038","","","","has coordinates","234002","2020-10-21","18:00:00",""
"1553245","10.6896","0.0009","11.5817","0.001","12.2608","0.0015","118.181","0.001","94.775","0.002","99.292","0.002","1298.1","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H28 O -","- C37 H28 O -","- C74 H56 O2 -","2","1","","Hoang, Giang T.; Kubo, Tomohiro; Young, Victor G.; Kautzky, Jacob A.; Wissinger, Jane E.","Illustrating the Utility of X-ray Crystallography for Structure Elucidation through a Tandem Aldol Condensation/Diels‒Alder Reaction Sequence","Journal of Chemical Education","2015","92","8","1381","","10.1021/acs.jchemed.5b00027","","","0.71073","MoKα","","0.0768","0.0465","","","0.1037","0.1154","","","","","","1.014","","","","has coordinates","234003","2020-10-21","18:00:00",""
"1553246","26.9572","0.0008","9.9991","0.0003","19.3387","0.0005","90","","100.974","0.003","90","","5117.4","0.3","150","","150","","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 N2 O3.5 -","- C27 H37 N2 O3.5 -","- C216 H296 N16 O28 -","8","2","","Smith, Catherine J.; Mansfield, Steven J.; Anderson, Edward A.; Burton, Jonathan W.","Four Step Total Synthesis of an H3Receptor Antagonist Using Only Tools Found in a Typical Teaching Laboratory","Journal of Chemical Education","2018","96","1","137","","10.1021/acs.jchemed.7b00982","","","1.5418","CuKα","","0.0869","0.0692","","0.2142","0.1871","0.2134","","","","","","0.9954","","","","has coordinates,has disorder","234004","2020-10-21","18:00:00",""
"1553247","9.9756","0.0003","9.9756","0.0003","9.8502","0.0003","90","","90","","120","","848.89","0.04","150","","150","","","","","","","","synthetic","5","P 32","P 32","145","","","","- C11 H12 Br N O2 -","- C11 H12 Br N O2 -","- C33 H36 Br3 N3 O6 -","3","1","","Smith, Catherine J.; Mansfield, Steven J.; Anderson, Edward A.; Burton, Jonathan W.","Four Step Total Synthesis of an H3Receptor Antagonist Using Only Tools Found in a Typical Teaching Laboratory","Journal of Chemical Education","2018","96","1","137","","10.1021/acs.jchemed.7b00982","","","1.54184","CuKα","","0.0189","0.0188","","0.0493","0.0492","0.0493","","","","","","1.0009","","","","has coordinates","234004","2020-10-21","18:00:00",""
"1553248","9.8846","0.0004","9.7683","0.0003","15.0513","0.0006","90","","97.453","0.004","90","","1441.01","0.09","150","","150","","","","","","","","synthetic","4","I 1 a 1","I -2ya","9","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Smith, Catherine J.; Mansfield, Steven J.; Anderson, Edward A.; Burton, Jonathan W.","Four Step Total Synthesis of an H3Receptor Antagonist Using Only Tools Found in a Typical Teaching Laboratory","Journal of Chemical Education","2018","96","1","137","","10.1021/acs.jchemed.7b00982","","","1.54184","CuKα","","0.026","0.0257","","0.0689","0.0684","0.0689","","","","","","1.0035","","","","has coordinates,has disorder","234004","2020-10-21","18:00:00",""
"1557327","8.4484","0.0007","4.8581","0.0004","18.7404","0.0015","90","","94.79","0.008","90","","766.48","0.11","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cu N2 O6 -","- C16 H16 Cu N2 O6 -","- C32 H32 Cu2 N4 O12 -","2","0.5","","Smellie, Iain A.; Abdelhamid, Yusra; Carpenter-Warren, Cameron L.; Cordes, David B.; Elliott, Clement; Lamorte, Sarah; Patterson, Iain L. J.; Sanders, William; Sandison, Iain P.; Slawin, Alexandra M. Z.; Stewart, Dominic M.; Walters, Samuel N.","A Simplified Extractive Metallurgy Exercise to Demonstrate Selective Extraction of Copper","Journal of Chemical Education","2020","","","","","10.1021/acs.jchemed.9b00996","","x-ray","0.71075","MoKα","","0.0438","0.0317","","","0.079","0.0843","","","","","","1.011","","","","has coordinates","248240","2020-10-21","18:00:00",""
"1559886","13.8061","0.0005","10.1122","0.0004","15.8955","0.0006","90","","91.4245","0.0011","90","","2218.49","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 N6 Ni2 O8 -","- C48 H50 N6 Ni2 O8 -","- C96 H100 N12 Ni4 O16 -","2","0.5","","Collett, Joel D.; Krause, Jeanette A.; Guan, Hairong","Multiweek Experiments for an Inorganic Chemistry Laboratory Course: Synthesis of Nickel Complexes Supported by a Tetradentate Ligand with a N2O2 Donor Set","Journal of Chemical Education","2020","","","","","10.1021/acs.jchemed.0c01117","","","0.71073","MoKα","","0.043","0.032","","","0.063","0.0679","","","","","","1.08","","","","has coordinates","260274","2020-12-31","00:19:05",""
"1559887","5.36239","0.00009","16.6313","0.0003","17.2165","0.0003","90","","90","","90","","1535.43","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 Ni O2 -","- C20 H14 N2 Ni O2 -","- C80 H56 N8 Ni4 O8 -","4","1","","Collett, Joel D.; Krause, Jeanette A.; Guan, Hairong","Multiweek Experiments for an Inorganic Chemistry Laboratory Course: Synthesis of Nickel Complexes Supported by a Tetradentate Ligand with a N2O2 Donor Set","Journal of Chemical Education","2020","","","","","10.1021/acs.jchemed.0c01117","","","1.54178","CuKα","","0.0245","0.0236","","","0.0607","0.0613","","","","","","1.078","","","","has coordinates","260275","2020-12-31","00:19:34",""