# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-05T13:05:21+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 'Bioconjugate Chemistry') AND volume = 16 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
"1506327","7.2693","0.0003","9.9472","0.0004","34.2689","0.0015","90","","90","","90","","2477.96","0.18","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[2(picolylamine-N-acetate)ethyl]-alpha-D-glucofuranosyl rhenium-tricarbonyl","","","- C22 H27 N2 O11 Re -","- C22 H27 N2 O11 Re -","- C88 H108 N8 O44 Re4 -","4","1","","Dumas, Cécile; Petrig, Jeannine; Frei, Luzia; Spingler, Bernhard; Schibli, Roger","Functionalization of Glucose at Position C-3 for Transition Metal Coordination: Organo-Rhenium Complexes with Carbohydrate Skeletons","Bioconjugate Chemistry","2005","16","2","421","","10.1021/bc049744i","","","0.71073","MoKα","","0.0344","0.0304","","","0.0707","0.0721","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506328","8.0008","0.0003","20.5058","0.0005","11.6366","0.0004","90","","90.958","0.002","90","","1908.87","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N7 Re S2 -","- C15 H20 N7 Re S2 -","- C60 H80 N28 Re4 S8 -","4","1","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0878","0.0768","","0.1368","0.1173","","","","1.097","1.165","1.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506329","8.1375","0.0001","15.0204","0.0001","19.429","","90","","95.29","0.001","90","","2364.66","0.03","150","1","150","1","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C18.5 H15.5 Cl2 N7 O Re S2 -","- C18.5 H15.5 Cl2 N7 O Re S2 -","- C74 H62 Cl8 N28 O4 Re4 S8 -","4","2","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0652","0.0519","","0.1261","0.1163","","","","1.047","1.035","1.035","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506330","8.1062","0.0002","14.6072","0.0002","17.0107","0.0003","82.086","0.001","82.556","0.001","83.238","0.001","1967.96","0.07","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Cl N6 Re S3 -","- C14 H18 Cl N6 Re S3 -","- C56 H72 Cl4 N24 Re4 S12 -","4","2","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0547","0.054","","0.1146","0.1085","","","","1.158","1.175","1.175","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506331","14.7905","0.0005","14.7131","0.0004","8.4637","0.0002","90","","91.068","0.001","90","","1841.5","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl N7 Re S -","- C16 H15 Cl N7 Re S -","- C64 H60 Cl4 N28 Re4 S4 -","4","1","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0705","0.0596","","0.1387","0.1295","","","","1.071","1.106","1.106","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506332","10.7229","0.001","15.3323","0.0014","20.6857","0.0019","90","","91.622","0.002","90","","3399.5","0.5","293","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl N16 O Re2 S2 -","- C28 H26 Cl N16 O Re2 S2 -","- C112 H104 Cl4 N64 O4 Re8 S8 -","4","1","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0882","0.0508","","","0.0813","0.0916","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506333","14.024","0.0008","13.1938","0.0008","13.2801","0.0008","90","","112.906","0.001","90","","2263.5","0.2","91","2","91","2","","","","","","","synthesised by authors, see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C12.5 H14 Cl4 N6 O5 Re -","- C12.5 H14 Cl4 N6 O5 Re -","- C50 H56 Cl16 N24 O20 Re4 -","4","1","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0756","0.06","","","0.1107","0.1254","","","","","","1.105","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506334","9.3544","0.0009","9.7712","0.0009","15.1811","0.0014","104.631","0.001","100.939","0.001","99.008","0.001","1287.3","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 N8 O4 Re S2 -","- C24 H21 N8 O4 Re S2 -","- C48 H42 N16 O8 Re2 S4 -","2","1","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.05","0.0473","","","0.103","0.1046","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""