# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-12T02:57:53+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 'Nature chemistry') 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
"1507928","17.8247","0.0005","11.4245","0.0003","35.8766","0.0012","90","","90","","90","","7305.8","0.4","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C44 H35 Cl Fe Ir N O4 P2 -","- C44 H35 Cl Fe Ir N O4 P2 -","- C352 H280 Cl8 Fe8 Ir8 N8 O32 P16 -","8","2","","Moran, Joseph; Preetz, Angelika; Mesch, Ryan A.; Krische, Michael J.","Iridium-catalysed direct C-C coupling of methanol and allenes.","Nature chemistry","2011","3","4","287","290","10.1038/nchem.1001","","","0.71069","MoKα","","0.0959","0.0761","","","0.1271","0.1333","","","","","","1.322","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507929","14.755","0.003","14.831","0.003","7.1877","0.0016","90","","95.469","0.004","90","","1565.7","0.6","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-(p-hydroxyphenyl)-7-thiomethyl-1-oxaazulan-2-one","","- C33 H26 Cl2 O6 S2 -","- C33 H26 Cl2 O6 S2 -","- C66 H52 Cl4 O12 S4 -","2","0.5","","Seyedsayamdost, Mohammad R.; Case, Rebecca J.; Kolter, Roberto; Clardy, Jon","The Jekyll-and-Hyde chemistry of Phaeobacter gallaeciensis.","Nature chemistry","2011","3","4","331","335","10.1038/nchem.1002","","","0.71073","MoKα","","0.1123","0.0781","","","0.1911","0.2151","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507930","18.65","0.0017","18.65","0.0017","6.8329","0.0009","90","","90","","120","","2058.2","0.4","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","stam1","","","- C60 H68 Cu6 O52 -","- C60 H48 Cu6 O52 -","- C60 H48 Cu6 O52 -","1","0.0833333","","Mohideen, M Infas H; Xiao, Bo; Wheatley, Paul S.; McKinlay, Alistair C.; Li, Yang; Slawin, Alexandra M. Z.; Aldous, David W.; Cessford, Naomi F.; Düren, Tina; Zhao, Xuebo; Gill, Rachel; Thomas, K. Mark; Griffin, John M.; Ashbrook, Sharon E.; Morris, Russell E.","Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic-hydrophobic metal-organic framework.","Nature chemistry","2011","3","4","304","310","10.1038/nchem.1003","","","0.71073","MoKα","","0.069","0.056","","","0.1339","0.1415","","","","","","1.149","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507931","12.3462","0.0016","13.0526","0.0018","13.5703","0.0018","106.254","0.002","101.926","0.002","105.292","0.002","1930","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H86 Cl6 N4 P4 Si4 U2 -","- C69 H86 Cl6 N4 P4 Si4 U2 -","- C69 H86 Cl6 N4 P4 Si4 U2 -","1","0.5","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0519","0.0369","","","0.0774","0.0839","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507932","10.8234","0.0009","11.895","0.001","16.7711","0.0014","91.171","0.002","94.744","0.002","101.546","0.002","2106.7","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C77 H100 Cl4 N4 O2 P4 Si4 U2 -","- C70 H92 Cl4 N4 O2 P4 Si4 U2 -","- C70 H92 Cl4 N4 O2 P4 Si4 U2 -","1","0.5","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0544","0.0398","","","0.0754","0.0787","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507933","35.693","0.007","12.776","0.002","21.448","0.004","90","","121.351","0.003","90","","8353","3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C83 H100 I4 N4 P4 Si4 U2 -","- C62 H76 I4 N4 P4 Si4 U2 -","- C248 H304 I16 N16 P16 Si16 U8 -","4","0.5","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.1121","0.0915","","","0.2588","0.2702","","","","","","1.08","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507934","17.3132","0.0009","27.8758","0.0015","36.903","0.003","90","","90","","90","","17810","2","90","2","90","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C87.63 H110 Cl1.2 I0.8 N4 P4 Si4 U2 -","- C69 H86 Cl1.224 I0.78 N4 P4 Si4 U2 -","- C552 H688 Cl9.792 I6.24 N32 P32 Si32 U16 -","8","0.5","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0483","0.0457","","","0.1214","0.1231","","","","","","1.043","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1507935","9.836","0.003","12.37","0.003","22.185","0.006","74.697","0.004","78.713","0.004","81.039","0.004","2537.7","1.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H71 I2 N2 O P2 Si2 U -","- C35 H47 I2 N2 O P2 Si2 U -","- C70 H94 I4 N4 O2 P4 Si4 U2 -","2","1","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0863","0.064","","","0.1555","0.1648","","","","","","0.956","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507936","10.399","0.0009","12.5771","0.0011","17.9435","0.0016","85.865","0.002","84.843","0.002","66.167","0.002","2136.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H55 Cl3 N2 O2 P2 Si2 U -","- C39 H55 Cl3 N2 O2 P2 Si2 U -","- C78 H110 Cl6 N4 O4 P4 Si4 U2 -","2","1","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0482","0.0331","","","0.0691","0.074","","","","","","1.032","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507937","14.7634","0.0003","8.8165","0.0002","18.114","0.0004","90","","107.073","0.0009","90","","2253.84","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Au Cl4 N -","- C16 H36 Au Cl4 N -","- C64 H144 Au4 Cl16 N4 -","4","1","","Serpell, Christopher J.; Cookson, James; Ozkaya, Dogan; Beer, Paul D.","Core@shell bimetallic nanoparticle synthesis via anion coordination.","Nature chemistry","2011","3","6","478","483","10.1038/nchem.1030","","","0.71073","MoKα","","0.0515","0.0292","","0.088","0.0691","0.088","","","","","","0.9366","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507938","10.9999","0.0005","11.9542","0.0005","17.7219","0.0009","91.4858","0.0017","103.352","0.002","107.87","0.002","2146.14","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H72 Cl6 N2 Pd2 -","- C32 H72 Cl6 N2 Pd2 -","- C64 H144 Cl12 N4 Pd4 -","2","1","","Serpell, Christopher J.; Cookson, James; Ozkaya, Dogan; Beer, Paul D.","Core@shell bimetallic nanoparticle synthesis via anion coordination.","Nature chemistry","2011","3","6","478","483","10.1038/nchem.1030","","","0.71073","MoKα","","0.1097","0.0509","","0.117","0.0821","0.1169","","","","","","0.9755","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507939","9.7093","0.0006","11.9854","0.0008","15.6951","0.0011","90","","93.883","0.005","90","","1822.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H39 Cl N2 O7 -","- C45 H39 Cl N2 O7 -","- C90 H78 Cl2 N4 O14 -","2","1","","Tan, Bin; Candeias, Nuno R.; Barbas, 3rd, Carlos F","Construction of bispirooxindoles containing three quaternary stereocentres in a cascade using a single multifunctional organocatalyst.","Nature chemistry","2011","3","6","473","477","10.1038/nchem.1039","","","1.54178","CuKα","","0.0635","0.056","","","0.1318","0.1398","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507940","9.4062","0.0006","27.3462","0.0017","12.0053","0.0008","90","","97.589","0.001","90","","3061","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H29 Cl N2 O6 -","- C36 H29 Cl N2 O6 -","- C144 H116 Cl4 N8 O24 -","4","2","","Tan, Bin; Candeias, Nuno R.; Barbas, 3rd, Carlos F","Construction of bispirooxindoles containing three quaternary stereocentres in a cascade using a single multifunctional organocatalyst.","Nature chemistry","2011","3","6","473","477","10.1038/nchem.1039","","","0.71073","MoKα","","0.0528","0.0471","","","0.1178","0.1232","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507941","16.4998","0.0006","16.4998","0.0006","27.6279","0.0009","90","","90","","90","","7521.5","0.5","153.1","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C35 H50 O10 Si2 -","- C35.995 H37 O9 Si2 -","- C287.96 H296 O72 Si16 -","8","1","","Tanino, Keiji; Takahashi, Motomasa; Tomata, Yoshihide; Tokura, Hiroshi; Uehara, Taketo; Narabu, Takashi; Miyashita, Masaaki","Total synthesis of solanoeclepin A.","Nature chemistry","2011","3","6","484","488","10.1038/nchem.1044","","","0.71075","MoKα","","","0.0623","","","","0.1441","","","","","","0.866","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507942","8.433","0.0003","21.6173","0.0008","13.7382","0.0005","90","","107.011","0.0015","90","","2394.88","0.15","123","","123","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 N2 P2 Ru -","- C20 H44 N2 P2 Ru -","- C80 H176 N8 P8 Ru4 -","4","1","","Askevold, Bjorn; Nieto, Jorge Torres; Tussupbayev, Samat; Diefenbach, Martin; Herdtweck, Eberhardt; Holthausen, Max C.; Schneider, Sven","Ammonia formation by metal-ligand cooperative hydrogenolysis of a nitrido ligand.","Nature chemistry","2011","3","7","532","537","10.1038/nchem.1051","","","0.71073","MoKα","","0.0211","0.0205","","","0.0504","0.0509","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507943","8.4996","0.0003","21.0038","0.0007","19.3021","0.0007","90","","90.1511","0.0017","90","","3445.9","0.2","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 N2 O4 P2 Ru -","- C30 H60 N2 O4 P2 Ru -","- C120 H240 N8 O16 P8 Ru4 -","4","1","","Askevold, Bjorn; Nieto, Jorge Torres; Tussupbayev, Samat; Diefenbach, Martin; Herdtweck, Eberhardt; Holthausen, Max C.; Schneider, Sven","Ammonia formation by metal-ligand cooperative hydrogenolysis of a nitrido ligand.","Nature chemistry","2011","3","7","532","537","10.1038/nchem.1051","","","0.71073","MoKα","","0.0317","0.0282","","","0.0697","0.0719","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507944","10.4307","0.0006","13.7396","0.0008","16.9587","0.001","70.6501","0.0008","77.8476","0.0007","70.9419","0.0007","2153.1","0.2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Gd2 K N6 O12 Si8 -","- C60 H144 Gd2 K N6 O12 Si8 -","- C60 H144 Gd2 K N6 O12 Si8 -","1","0.5","","Rinehart, Jeffrey D.; Fang, Ming; Evans, William J.; Long, Jeffrey R.","Strong exchange and magnetic blocking in N₂³⁻-radical-bridged lanthanide complexes.","Nature chemistry","2011","3","7","538","542","10.1038/nchem.1063","","","0.71073","MoKα","","0.0388","0.0261","","","0.0569","0.0613","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507945","10.2002","0.0005","13.9169","0.0007","14.9513","0.0008","83.367","0.0005","74.6788","0.0005","72.8161","0.0005","1953.99","0.17","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H128 Dy2 K N6 O10 Si8 -","- C52 H128 Dy2 K N6 O10 Si8 -","- C52 H128 Dy2 K N6 O10 Si8 -","1","0.5","","Rinehart, Jeffrey D.; Fang, Ming; Evans, William J.; Long, Jeffrey R.","Strong exchange and magnetic blocking in N₂³⁻-radical-bridged lanthanide complexes.","Nature chemistry","2011","3","7","538","542","10.1038/nchem.1063","","","0.71073","MoKα","","0.0162","0.0155","","","0.0405","0.041","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507946","20.5155","0.0015","20.5155","0.0015","15.0907","0.0013","90","","90","","90","","6351.5","0.9","294.1","","294.1","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C56 H48.2 Mn2 N24 Nb O8.2 -","- C56 H48 Mn2 N24 Nb O8.2 -","- C224 H192 Mn8 N96 Nb4 O32.8 -","4","0.25","","Ohkoshi, Shin-Ichi; Imoto, Kenta; Tsunobuchi, Yoshihide; Takano, Shinjiro; Tokoro, Hiroko","Light-induced spin-crossover magnet.","Nature chemistry","2011","3","7","564","569","10.1038/nchem.1067","","","0.71075","MoKα","","","0.0454","","","","0.1497","","","","","","1.239","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507947","20.2001","0.0004","20.2001","0.0004","14.9565","0.0005","90","","90","","90","","6102.9","0.3","","","293","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C56 Fe2 N24 Nb O10 -","- C56 Fe2 N24 Nb O10 -","- C224 Fe8 N96 Nb4 O40 -","4","0.25","","Ohkoshi, Shin-Ichi; Imoto, Kenta; Tsunobuchi, Yoshihide; Takano, Shinjiro; Tokoro, Hiroko","Light-induced spin-crossover magnet.","Nature chemistry","2011","3","7","564","569","10.1038/nchem.1067","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.025","2.23","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507948","9.586","0.002","12.425","0.002","17.906","0.004","104.92","0.03","91.5","0.02","107.28","0.03","1955.6","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","Gandelman-99(Yuri)","","","- C37 H38 Cl F6 N4 O P3 Rh -","- C37 H38 Cl F6 N4 O P3 Rh -","- C74 H76 Cl2 F12 N8 O2 P6 Rh2 -","2","1","","Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark","Nitrenium ions as ligands for transition metals.","Nature chemistry","2011","3","7","525","531","10.1038/nchem.1068","","","0.71073","MoKα","","0.1111","0.0776","","","0.2147","0.2317","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507949","28.71","0.006","28.71","0.006","10.909","0.002","90","","90","","120","","7787","3","293","2","293","2","","","","","","","","8","R 3 :H","R 3","146","Gandelman-91(Yuri)","","","- C24 H52.33 Br Cl2 N5 O2.33 P2 Ru -","- C24 H52.33 Br Cl2 N5 O2.33333 P2 Ru -","- C216 H470.97 Br9 Cl18 N45 O21 P18 Ru9 -","9","1","","Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark","Nitrenium ions as ligands for transition metals.","Nature chemistry","2011","3","7","525","531","10.1038/nchem.1068","","","0.71073","MoKα","","0.0871","0.0511","","","0.0984","0.1103","","","","","","0.923","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507950","14.09","0.003","18.71","0.004","15.558","0.004","90","","101.48","0.03","90","","4019.4","1.6","240","2","240","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","Gandelman-93 (Yuri)","","","- C36 H32 Cl4 F6 N3 O P3 Rh -","- C36 H32 Cl4 F6 N3 O P3 Rh -","- C144 H128 Cl16 F24 N12 O4 P12 Rh4 -","4","1","","Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark","Nitrenium ions as ligands for transition metals.","Nature chemistry","2011","3","7","525","531","10.1038/nchem.1068","","","0.71073","MoKα","","0.0824","0.0467","","","0.1227","0.1355","","","","","","0.945","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507951","48.783","0.007","16.309","0.002","16.08","0.002","90","","92.627","0.003","90","","12780","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Gandelman-106(Yuri)","","","- C28.25 H28 F9 N2.25 O1.25 P3 Rh0.75 -","- C28.25 H28 F9 N2.25 O1.25 P3 Rh0.75 -","- C452 H448 F144 N36 O20 P48 Rh12 -","16","2","","Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark","Nitrenium ions as ligands for transition metals.","Nature chemistry","2011","3","7","525","531","10.1038/nchem.1068","","","0.71073","MoKα","","0.1475","0.0662","","","0.1614","0.2053","","","","","","0.932","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507952","7.1086","0.0002","12.1687","0.0005","12.6313","0.0005","90","","90","","90","","1092.64","0.07","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 Br2 N4 O -","- C7 H12 Br2 N4 O -","- C28 H48 Br8 N16 O4 -","4","1","","Cakmak, Mesut; Mayer, Peter; Trauner, Dirk","An efficient synthesis of loline alkaloids.","Nature chemistry","2011","3","7","543","545","10.1038/nchem.1072","","","0.71073","MoKα","","0.0277","0.0221","","","0.0329","0.0333","","","","","","0.887","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507953","6.333","0.0001","10.3246","0.0002","26.9497","0.0004","90","","90","","90","","1762.12","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N4 O5 S -","- C16 H20 N4 O5 S -","- C64 H80 N16 O20 S4 -","4","1","","Cakmak, Mesut; Mayer, Peter; Trauner, Dirk","An efficient synthesis of loline alkaloids.","Nature chemistry","2011","3","7","543","545","10.1038/nchem.1072","","","0.71073","MoKα","","0.0332","0.029","","","0.0673","0.0698","","","","","","1.089","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507954","6.5187","0.0005","8.6895","0.0005","7.0751","0.0005","90","","98.453","0.004","90","","396.41","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C16 H24 N4 O6 -","2","1","","Cakmak, Mesut; Mayer, Peter; Trauner, Dirk","An efficient synthesis of loline alkaloids.","Nature chemistry","2011","3","7","543","545","10.1038/nchem.1072","","","0.71073","MoKα","","0.0402","0.0334","","","0.0721","0.0752","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507955","10.1997","0.0004","12.253","0.0005","24.807","0.001","90","","90","","90","","3100.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 I2 O8 Si -","- C27 H42 I2 O8 Si -","- C108 H168 I8 O32 Si4 -","4","1","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","0.71073","MoKα","","0.0314","0.0293","","","0.0678","0.0685","","","","","","1.156","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507956","13.7487","0.0003","13.6316","0.0003","18.3824","0.0004","90","","92.377","0.001","90","","3442.21","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H50 Cl2 O8 Si -","- C31 H50 Cl2 O8 Si -","- C124 H200 Cl8 O32 Si4 -","4","2","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","1.54178","CuKα","","0.0715","0.0566","","","0.1508","0.1603","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507957","10.018","0.0003","10.018","0.0003","66.931","0.004","90","","90","","90","","6717.2","0.5","142","","142","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C33 H47 Br O6 Si -","- C33 H47 Br O6 Si -","- C264 H376 Br8 O48 Si8 -","8","1","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","0.71073","MoKα","","0.094","0.0498","","","0.0918","0.0993","","","","","","0.893","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507958","10.5239","0.0011","14.5191","0.0015","22.649","0.002","90","","90","","90","","3460.7","0.6","171","","171","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 Br O8 Si -","- C33 H47 Br O8 Si -","- C132 H188 Br4 O32 Si4 -","4","1","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","0.71073","MoKα","","0.051","0.0374","","","0.082","0.0871","","","","","","0.979","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507959","16.4546","0.0002","14.6655","0.0002","16.651","0.0002","90","","92.343","0.001","90","","4014.78","0.09","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 B Cl F12 P2 Pt S2 -","- C40 H30 B Cl F12 P2 Pt S2 -","- C160 H120 B4 Cl4 F48 P8 Pt4 S8 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0496","0.0291","","","0.0552","0.0619","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507960","13.2738","0.0006","18.9981","0.0008","19.6952","0.0009","90","","105.576","0.003","90","","4784.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 B22 F8 P2 Pt S2 -","- C32 H50 B22 F8 P2 Pt S2 -","- C128 H200 B88 F32 P8 Pt4 S8 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","1.54178","CuKα","","0.0862","0.0499","","","0.1013","0.1144","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507961","13.1494","0.0004","36.1583","0.0011","23.7534","0.0007","90","","95.836","0.002","90","","11235.3","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H110 B44 Cl10 F16 P4 Pt2 S4 -","- C69 H110 B44 Cl10 F16 P4 Pt2 S4 -","- C276 H440 B176 Cl40 F64 P16 Pt8 S16 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","1.54178","CuKα","","0.0816","0.052","","","0.1212","0.1354","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507962","13.5537","0.0003","19.4743","0.0004","19.6358","0.0004","90","","97.836","0.001","90","","5134.45","0.19","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33 H51 B22 Cl2 F8 P2 Pt S2 -","- C33 H51 B22 Cl2 F8 P2 Pt S2 -","- C132 H204 B88 Cl8 F32 P8 Pt4 S8 -","4","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.1401","0.0624","","","0.1243","0.1502","","","","","","0.976","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507963","26.1737","0.0005","19.4713","0.0004","26.191","0.0005","90","","118.272","0.001","90","","11755.6","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H64 B22 Cl6 F8 P2 Pt S2 -","- C36.5 H59 B22 Cl F8 P2 Pt S2 -","- C292 H472 B176 Cl8 F64 P16 Pt8 S16 -","8","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0963","0.0549","","","0.1446","0.1552","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507964","12.1925","0.0001","12.9626","0.0002","15.407","0.0002","84.221","0.001","72.108","0.001","71.635","0.001","2199.22","0.05","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H50 B2 Cl4 F8 P2 Pt S2 -","- C36 H46 B2 F8 P2 Pt S2 -","- C72 H92 B4 F16 P4 Pt2 S4 -","2","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0232","0.0209","","","0.0553","0.0567","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507965","13.2826","0.0003","18.4796","0.0004","23.5694","0.0005","110.442","0.001","99.975","0.001","91.216","0.001","5318","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H62 B2 Cl4 F8 P2 Pt S2 -","- C49.5 H61 B2 Cl3 F8 P2 Pt S2 -","- C198 H244 B8 Cl12 F32 P8 Pt4 S8 -","4","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0296","0.0243","","","0.0646","0.0666","","","","","","1.087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507966","12.6691","0.0002","19.7198","0.0003","19.9223","0.0003","93.78","0.001","107.622","0.001","100.194","0.001","4630.74","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 B2 F8 P2 Pt S2 -","- C44 H46 B2 F8 P2 Pt S2 -","- C176 H184 B8 F32 P8 Pt4 S8 -","4","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0415","0.0288","","","0.064","0.0664","","","","","","0.964","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507967","9.4556","0.0008","18.6226","0.001","24.1172","0.0015","90","","98.277","0.004","90","","4202.5","0.5","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40.3 H38.6 B2 Cl0.6 F8 P2 Pt S2 -","- C40.3 H38.6 B2 Cl0.6 F8 P2 Pt S2 -","- C161.2 H154.4 B8 Cl2.4 F32 P8 Pt4 S8 -","4","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","1.54178","CuKα","","0.0694","0.0603","","","0.1366","0.1419","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507968","10.9643","0.0002","14.7439","0.0003","13.67","0.0002","90","","96.109","0.001","90","","2197.3","0.07","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C41 H32 B2 Cl2 F16 P2 Pt S2 -","- C40 H30 B2 F16 P2 Pt S2 -","- C80 H60 B4 F32 P4 Pt2 S4 -","2","0.5","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0428","0.0385","","","0.1105","0.1135","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507969","6.8212","0.0002","17.6275","0.0005","17.9702","0.0005","90","","98.053","0.0013","90","","2139.44","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 B10 P S -","- C16 H25 B10 P S -","- C64 H100 B40 P4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","1.54178","CuKα","","0.035","0.0322","","","0.0859","0.0881","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507970","10.5592","0.001","14.1502","0.0013","14.2279","0.0016","90","","93.374","0.007","90","","2122.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 B10 P S -","- C16 H25 B10 P S -","- C64 H100 B40 P4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.087","0.0436","","","0.0877","0.099","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507971","9.5269","0.0001","13.5196","0.0002","18.9816","0.0002","90","","103.987","0.001","90","","2372.34","0.05","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 B10 P S -","- C18 H29 B10 P S -","- C72 H116 B40 P4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0964","0.0556","","","0.164","0.1797","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507972","12.3211","0.0002","13.5986","0.0002","14.9381","0.0003","90","","110.031","0.001","90","","2351.47","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 B10 Cl2 P Pt S -","- C16 H25 B10 Cl2 P Pt S -","- C64 H100 B40 Cl8 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0326","0.0227","","","0.047","0.0509","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507973","14.2619","0.0002","11.1469","0.0001","15.0388","0.0002","90","","90","","90","","2390.81","0.05","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H25 B10 Cl2 P Pt S -","- C16 H25 B10 Cl2 P Pt S -","- C64 H100 B40 Cl8 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0286","0.0217","","","0.0394","0.0413","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507974","9.6308","0.0001","21.48","0.0003","14.1467","0.0002","90","","96.8895","0.0006","90","","2905.39","0.07","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 B10 Cl2 O0.5 P Pt S -","- C20 H34 B10 Cl2 O0.5 P Pt S -","- C80 H136 B40 Cl8 O2 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0423","0.0315","","","0.0749","0.0791","","","","","","1.066","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507975","11.897","0.0019","13.9412","0.0013","14.7305","0.0016","90","","110.2","0.011","90","","2292.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Cl2 P Pt S -","- C24 H29 Cl2 P Pt S -","- C96 H116 Cl8 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0192","0.0154","","","0.0341","0.0353","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507976","11.574","0.0002","13.787","0.0003","14.616","0.0003","90","","99.605","0.0011","90","","2299.59","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H24 Cl3 P Pt S -","- C22.5 H23 Cl3 P Pt S -","- C90 H92 Cl12 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0556","0.0326","","","0.0582","0.0632","","","","","","0.952","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507977","12.71","0.003","13.992","0.003","12.838","0.003","90","","108.43","0.03","90","","2166","0.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 N2 O P Ru -","- C20 H37 N2 O P Ru -","- C80 H148 N8 O4 P4 Ru4 -","4","1","","Balaraman, Ekambaram; Gunanathan, Chidambaram; Zhang, Jing; Shimon, Linda J. W.; Milstein, David","Efficient hydrogenation of organic carbonates, carbamates and formates indicates alternative routes to methanol based on CO2 and CO.","Nature chemistry","2011","3","8","609","614","10.1038/nchem.1089","","","0.71073","MoKα","","0.0603","0.0454","","","0.0842","0.0883","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507978","9.48719","0.00017","12.8846","0.0003","12.0111","0.0003","90","","96.4486","0.001","90","","1458.93","0.06","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H35 Cl N4 O4 -","- C30 H35 Cl N4 O4 -","- C60 H70 Cl2 N8 O8 -","2","1","","Hashimoto, Takuya; Kimura, Hidenori; Kawamata, Yu; Maruoka, Keiji","Generation and exploitation of acyclic azomethine imines in chiral Brønsted acid catalysis.","Nature chemistry","2011","3","8","642","646","10.1038/nchem.1096","","","1.54187","CuKα","","","0.0422","","","","0.102","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507979","7.354","0.004","7.354","0.004","43.22","0.005","90","","90","","120","","2024.2","1.6","93","2","93","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C7 H22 F18 N3 O6 V7 -","- C6 H34 F18 N4 O6 V7 -","- C18 H102 F54 N12 O18 V21 -","3","0.0833333","","Aidoudi, Farida H.; Aldous, David W.; Goff, Richard J.; Slawin, Alexandra M. Z.; Attfield, J. Paul; Morris, Russell E.; Lightfoot, Philip","An ionothermally prepared S = 1/2 vanadium oxyfluoride kagome lattice.","Nature chemistry","2011","3","10","801","806","10.1038/nchem.1129","","","0.71073","MoKα","","0.0816","0.0709","","","0.1798","0.1868","","","","","","1.139","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507980","19.1682","0.0012","36.703","0.002","40.905","0.003","90","","90","","90","","28778","3","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","C3(Cl)2","","","- C246 H375 Cl3 Fe N51 Na O52 -","- C246 H375 Cl3 Fe N51 Na O52 -","- C984 H1500 Cl12 Fe4 N204 Na4 O208 -","4","1","","Ousaka, Naoki; Takeyama, Yuki; Iida, Hiroki; Yashima, Eiji","Chiral information harvesting in dendritic metallopeptides.","Nature chemistry","2011","3","11","856","861","10.1038/nchem.1146","","","0.71073","MoKα","","0.1644","0.1096","","","0.2812","0.3283","","","","","","1.173","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507981","13.2633","0.0013","30.498","0.003","18.0731","0.0018","90","","91.588","0.002","90","","7307.8","1.2","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H118 Dy4 Mo Si4 -","- C65 H118 Dy4 Mo Si4 -","- C260 H472 Dy16 Mo4 Si16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.1161","0.0421","","","0.0642","0.0832","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507982","13.2652","0.0013","30.812","0.003","17.8231","0.0018","90","","92.078","0.002","90","","7280","1.2","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H116 Dy4 Mo Si4 -","- C65 H116 Dy4 Mo Si4 -","- C260 H464 Dy16 Mo4 Si16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0815","0.043","","","0.0813","0.0902","","","","","","0.88","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507983","13.2501","0.0013","30.326","0.003","18.0991","0.0018","90","","91.819","0.002","90","","7269","1.2","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H118 Ho4 Mo Si4 -","- C65 H118 Ho4 Mo Si4 -","- C260 H472 Ho16 Mo4 Si16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0651","0.0358","","","0.0634","0.0688","","","","","","0.875","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507984","13.2847","0.0015","30.691","0.003","17.87","0.002","90","","92.072","0.002","90","","7281.2","1.4","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H116 Ho4 Mo Si4 -","- C65 H116 Ho4 Mo Si4 -","- C260 H464 Ho16 Mo4 Si16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0716","0.0453","","","0.1023","0.1104","","","","","","0.959","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507985","13.8691","0.0011","22.8409","0.0018","24.1291","0.0019","90","","91.841","0.002","90","","7639.7","1","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H119 Mo P Si4 Y4 -","- C61 H119 Mo P Si4 Y4 -","- C244 H476 Mo4 P4 Si16 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0736","0.0374","","","0.0677","0.0718","","","","","","0.832","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507986","14.0625","0.001","23.1646","0.0017","24.1202","0.0018","90","","92.501","0.001","90","","7849.7","1","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H119 P Si4 W Y4 -","- C61 H119 P Si4 W Y4 -","- C244 H476 P4 Si16 W4 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0738","0.0428","","","0.147","0.1527","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507987","13.4105","0.0012","14.0678","0.0012","22.368","0.002","95.1377","0.001","92.0563","0.001","118.155","0.001","3690.9","0.6","20","2","20","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H126 P Si4 W Y4 -","- C64 H126 P Si4 W Y4 -","- C128 H252 P2 Si8 W2 Y8 -","2","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","neutron","1.248","neutron","","0.1651","0.1032","","","0.2389","0.2852","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507988","13.5989","0.0015","30.857","0.004","17.665","0.002","90","","92.951","0.002","90","","7402.8","1.5","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H124 Mo Si4 Y4 -","- C64 H124 Mo Si4 Y4 -","- C256 H496 Mo4 Si16 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.1163","0.0402","","","0.0668","0.0815","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507989","13.5822","0.0007","30.8031","0.0016","17.6738","0.001","90","","92.814","0.001","90","","7385.3","0.7","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H124 Si4 W Y4 -","- C64 H124 Si4 W Y4 -","- C256 H496 Si16 W4 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0621","0.0347","","","0.0731","0.0775","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507990","13.2794","0.0006","30.4306","0.0014","18.1306","0.0008","90","","91.851","0.001","90","","7322.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H124 Si4 W Y4 -","- C64 H124 Si4 W Y4 -","- C256 H496 Si16 W4 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","neutron","","neutron","","0.2235","0.1894","","","0.4257","0.4464","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507991","13.7848","0.0009","20.179","0.0013","27.0183","0.0016","90","","91.457","0.001","90","","7513.1","0.8","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H118 Si4 W Y4 -","- C64 H118 Si4 W Y4 -","- C256 H472 Si16 W4 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0723","0.0396","","","0.0959","0.1022","","","","","","0.912","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507992","13.292","0.0008","30.7831","0.0017","17.8644","0.0011","90","","92.393","0.001","90","","7303.2","0.7","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H116 Mo Si4 Y4 -","- C65 H116 Mo Si4 Y4 -","- C260 H464 Mo4 Si16 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.1455","0.048","","","0.0882","0.1124","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507993","10.05","0.0004","10.1301","0.0004","10.2065","0.0004","90","","96.154","0.001","90","","1033.11","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 B2 N2 O4 -","- C20 H26 B2 N2 O4 -","- C40 H52 B4 N4 O8 -","2","1","","Lee, Jack Chang Hung; McDonald, Robert; Hall, Dennis G.","Enantioselective preparation and chemoselective cross-coupling of 1,1-diboron compounds.","Nature chemistry","2011","3","11","894","899","10.1038/nchem.1150","","","0.71073","MoKα","","0.0351","0.0324","","","0.0857","0.0885","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507994","9.058","0.002","9.824","0.002","14.734","0.003","98.499","0.002","96.322","0.002","92.204","0.003","1286.8","0.5","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H29 B2 Br N2 O4 -","- C26 H29 B2 Br N2 O4 -","- C52 H58 B4 Br2 N4 O8 -","2","2","","Lee, Jack Chang Hung; McDonald, Robert; Hall, Dennis G.","Enantioselective preparation and chemoselective cross-coupling of 1,1-diboron compounds.","Nature chemistry","2011","3","11","894","899","10.1038/nchem.1150","","","0.71073","MoKα","","0.0401","0.0355","","","0.0955","0.0978","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507995","14.2028","0.0018","8.4774","0.0009","22.6154","0.0016","90","","107.307","0.008","90","","2599.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 O4 -","- C30 H38 O4 -","- C120 H152 O16 -","4","1","","Biber, Nicole; Möws, Katrin; Plietker, Bernd","The total synthesis of hyperpapuanone, hyperibone L, epi-clusianone and oblongifolin A.","Nature chemistry","2011","3","12","938","942","10.1038/nchem.1170","","","1.54178","CuKα","","0.1633","0.0844","","","0.1543","0.2036","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507996","11.828","0.0019","12.398","0.002","13.938","0.002","85.265","0.003","69.159","0.002","68.396","0.002","1773.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 F2 N2 O4 Pd2 -","- C30 H22 F2 N2 O4 Pd2 -","- C60 H44 F4 N4 O8 Pd4 -","2","1","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0395","0.0299","","","0.0691","0.0712","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507997","11.3484","0.0013","16.5864","0.0019","17.37","0.002","90","","97.391","0.002","90","","3242.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H27 Cl5 N2 O4 Pd2 -","- C32.5 H27 Cl5 N2 O4 Pd2 -","- C130 H108 Cl20 N8 O16 Pd8 -","4","1","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0625","0.0361","","","0.0791","0.0916","","","","","","1.042","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507998","11.2537","0.0006","16.3457","0.0008","17.331","0.0009","90","","97.294","0.002","90","","3162.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C32 H26 Cl4 F N2 O4 Pd2 -","- C128 H104 Cl16 F4 N8 O16 Pd8 -","4","1","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0701","0.0466","","","0.11","0.1231","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507999","11.3423","0.0014","16.545","0.002","17.388","0.002","90","","97.364","0.002","90","","3236.1","0.7","130","1","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C30 H22 N2 O4 Pd2 -","- C120 H88 N8 O16 Pd8 -","4","1","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0543","0.0346","","","0.0838","0.0894","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508000","11.3622","0.0014","16.569","0.002","17.444","0.002","90","","97.382","0.002","90","","3256.8","0.7","160","2","160","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C20 H14.6667 N1.33333 O2.66667 Pd1.33333 -","- C120 H88 N8 O16 Pd8 -","6","1.5","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0546","0.0328","","","0.079","0.0847","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508001","11.3819","0.0005","16.6013","0.0007","17.4899","0.0007","90","","97.441","0.001","90","","3277","0.2","190","1","190","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C20 H14.6667 N1.33333 O2.66667 Pd1.33333 -","- C120 H88 N8 O16 Pd8 -","6","1.5","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0465","0.0291","","","0.0712","0.0757","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508002","11.395","0.0007","16.6424","0.001","17.529","0.0011","90","","97.527","0.001","90","","3295.6","0.4","220","2","220","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C20 H14.6667 N1.33333 O2.66667 Pd1.33333 -","- C120 H88 N8 O16 Pd8 -","6","1.5","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0514","0.0301","","","0.074","0.0793","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508003","11.4138","0.0019","16.7","0.003","17.58","0.003","90","","97.639","0.003","90","","3321.2","1","250","2","250","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C15 H11 N O2 Pd -","- C120 H88 N8 O16 Pd8 -","8","2","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0644","0.0352","","","0.0846","0.0915","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508004","11.2764","0.0004","26.267","0.0011","13.5398","0.0006","90","","96.524","0.002","90","","3984.5","0.3","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Hf2 N2 Si2 -","- C40 H60 Hf2 N2 Si2 -","- C160 H240 Hf8 N8 Si8 -","4","1","","Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J.","Dinitrogen cleavage and functionalization by carbon monoxide promoted by a hafnium complex.","Nature chemistry","2010","2","1","30","35","10.1038/nchem.477","","","0.71073","MoKα","","0.0847","0.0479","","","0.0866","0.0979","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508005","8.7137","0.0005","13.6257","0.0008","17.4952","0.0011","96.123","0.002","92.498","0.002","95.596","0.002","2052.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H60 Hf2 N2 O2 Si2 -","- C42 H60 Hf2 N2 O2 Si2 -","- C84 H120 Hf4 N4 O4 Si4 -","2","1","","Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J.","Dinitrogen cleavage and functionalization by carbon monoxide promoted by a hafnium complex.","Nature chemistry","2010","2","1","30","35","10.1038/nchem.477","","","0.71073","MoKα","","0.045","0.03","","","0.0578","0.0622","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508006","10.7033","0.0006","13.8345","0.0007","14.9713","0.0008","91.954","0.003","104.98","0.003","109.366","0.002","2002.83","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H60 Hf2 N2 O Si2 -","- C41 H60 Hf2 N2 O Si2 -","- C82 H120 Hf4 N4 O2 Si4 -","2","1","","Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J.","Dinitrogen cleavage and functionalization by carbon monoxide promoted by a hafnium complex.","Nature chemistry","2010","2","1","30","35","10.1038/nchem.477","","","0.71073","MoKα","","0.0847","0.0461","","","0.1074","0.1288","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508007","6.5955","0.0002","7.882","0.0002","29.1769","0.0008","90","","90","","90","","1516.78","0.07","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O -","- C17 H26 O -","- C68 H104 O4 -","4","1","","Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul","Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds.","Nature chemistry","2010","2","2","125","130","10.1038/nchem.505","","","0.71073","MoKα","","0.054","0.0386","","","0.0896","0.0972","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508008","15.7972","0.0005","6.3827","0.0002","26.214","0.0008","90","","96.5673","0.0019","90","","2625.78","0.14","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","1","","Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul","Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds.","Nature chemistry","2010","2","2","125","130","10.1038/nchem.505","","","0.71073","MoKα","","0.0854","0.0574","","","0.1541","0.1739","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508009","16.2591","0.0005","9.4526","0.0003","18.8939","0.0005","90","","95.508","0.0018","90","","2890.41","0.15","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O -","- C34 H52 O -","- C136 H208 O4 -","4","2","","Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul","Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds.","Nature chemistry","2010","2","2","125","130","10.1038/nchem.505","","","0.71073","MoKα","","0.07","0.0462","","","0.1079","0.1221","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508010","17.113","0.003","16.1501","0.0017","20.618","0.004","90","","107.588","0.002","90","","5432","1.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 2c","Compound 2c","","- C56 H48 F24 N2 O4 Si2 -","- C56 H48 F24 N2 O4 Si2 -","- C224 H192 F96 N8 O16 Si8 -","4","0.5","","Kano, Naokazu; Miyake, Hideaki; Sasaki, Keishi; Kawashima, Takayuki; Mizorogi, Naomi; Nagase, Shigeru","Dianionic species with a bond consisting of two pentacoordinated silicon atoms.","Nature chemistry","2010","2","2","112","116","10.1038/nchem.513","","","0.7107","MoKα","","0.0433","0.0374","","","0.1015","0.1075","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508011","10.2994","0.0003","12.6537","0.0004","13.9603","0.0004","90","","90","","90","","1819.38","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","1","","Streuff, Jan; White, David E.; Virgil, Scott C.; Stoltz, Brian M.","A palladium-catalysed enolate alkylation cascade for the formation of adjacent quaternary and tertiary stereocentres.","Nature chemistry","2010","2","3","192","196","10.1038/nchem.518","","","1.54178","CuKα","","0.0311","0.0293","","","0.0643","0.065","","","","","","1.975","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508012","6.7294","0.0002","15.7191","0.0005","17.4651","0.0006","90","","98.474","0.001","90","","1827.29","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","2","","Streuff, Jan; White, David E.; Virgil, Scott C.; Stoltz, Brian M.","A palladium-catalysed enolate alkylation cascade for the formation of adjacent quaternary and tertiary stereocentres.","Nature chemistry","2010","2","3","192","196","10.1038/nchem.518","","","1.54178","CuKα","","0.0388","0.0355","","","0.0684","0.0694","","","","","","1.512","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508013","9.1374","0.0016","10.0229","0.0017","11.704","0.002","90","","106.312","0.003","90","","1028.7","0.3","273","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C4 H16 Ga2 N2 O S7 Sb2 -","- C4 H16 Ga2 N2 O S7 Sb2 -","- C8 H32 Ga4 N4 O2 S14 Sb4 -","2","1","","Ding, Nan; Kanatzidis, Mercouri G.","Selective incarceration of caesium ions by Venus flytrap action of a flexible framework sulfide.","Nature chemistry","2010","2","3","187","191","10.1038/nchem.519","","","0.71073","MoKα","","0.0651","0.0577","","","0.1422","0.1487","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508014","15.591","0.003","9.1815","0.0018","12.575","0.003","90","","114.26","0.03","90","","1641.1","0.7","293","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Cs2 Ga2 S7 Sb2 -","- Cs2 Ga2 S7 Sb2.004 -","- Cs8 Ga8 S28 Sb8.016 -","4","1","","Ding, Nan; Kanatzidis, Mercouri G.","Selective incarceration of caesium ions by Venus flytrap action of a flexible framework sulfide.","Nature chemistry","2010","2","3","187","191","10.1038/nchem.519","","","0.71073","MoKα","","0.1429","0.1089","","","0.2671","0.2956","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508015","18.57","0.003","10.7448","0.0018","16.801","0.003","90","","110.877","0.003","90","","3132.2","0.9","273","2","273","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","#540-C54Cl8/1","","","- C54 Cl8 -","- C54 Cl8 -","- C216 Cl32 -","4","0.5","","Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun","Chlorofullerenes featuring triple sequentially fused pentagons.","Nature chemistry","2010","2","4","269","273","10.1038/nchem.549","","","0.71073","MoKα","","0.0485","0.0436","","","0.1237","0.1274","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508016","17.919","0.003","36.241","0.006","12.291","0.002","90","","90.174","0.003","90","","7982","2","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","#864-C56Cl12/2","","","- C59.5 H4 Cl12 -","- C59.5 H4 Cl12 -","- C476 H32 Cl96 -","8","2","","Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun","Chlorofullerenes featuring triple sequentially fused pentagons.","Nature chemistry","2010","2","4","269","273","10.1038/nchem.549","","","0.71073","MoKα","","0.1215","0.1094","","","0.2293","0.2357","","","","","","1.21","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508017","10.812","0.002","19.202","0.004","17.156","0.004","90","","105.162","0.004","90","","3437.8","1.3","273","2","273","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","#4169-C66Cl6/3","","","- C66 Cl6 -","- C66 Cl6 -","- C264 Cl24 -","4","1","","Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun","Chlorofullerenes featuring triple sequentially fused pentagons.","Nature chemistry","2010","2","4","269","273","10.1038/nchem.549","","","0.71073","MoKα","","0.1014","0.0803","","","0.2032","0.2203","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508018","12.3298","0.0003","18.7616","0.0005","19.4956","0.0005","96.637","0.002","100.007","0.002","100.282","0.002","4319.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","#4169-C66Cl10/4","","","- C285 H23 Cl40 -","- C285 H23 Cl40 -","- C285 H23 Cl40 -","1","0.5","","Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun","Chlorofullerenes featuring triple sequentially fused pentagons.","Nature chemistry","2010","2","4","269","273","10.1038/nchem.549","","","1.54178","CuKα","","0.0842","0.0705","","","0.1518","0.1558","","","","","","1.255","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508019","17.919","0.004","15.19","0.004","8.255","0.002","90","","90","","90","","2246.9","0.9","190","","190","","","","","","","","","3","A b a 2","A 2 -2ab","41","","2,6-Bis[1,1-bis(2-pyridyl)ethyl]pyridine","","- C29 H25 N5 -","- C29 H25 N5 -","- C116 H100 N20 -","4","","","Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R.","High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes.","Nature chemistry","2010","2","5","362","368","10.1038/nchem.585","","","0.71073","MoKα","","0.0376","0.0346","","","0.0966","0.099","","","","","","0.838","","","","has coordinates","194610","2020-10-21","18:00:00",""
"1508020","11.55","0.004","12.579","0.005","13.191","0.005","110.056","0.005","108.607","0.006","90.638","0.006","1690.4","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Acetonitrilo(2,6-bis[1,1-bis(2-pyridyl)ethyl]pyridine) vanadium(II) bis(hexafluorophosphate)","","- C31 H28 F12 N6 O0 P2 V -","- C31 H28 F12 N6 P2 V -","- C62 H56 F24 N12 P4 V2 -","2","1","","Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R.","High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes.","Nature chemistry","2010","2","5","362","368","10.1038/nchem.585","","","0.71073","MoKα","","0.1399","0.0837","","","0.176","0.2126","","","","","","1.04","","","","has coordinates","194610","2020-10-21","18:00:00",""
"1508021","21.554","0.002","14.9192","0.0015","24.647","0.003","90","","115.805","0.001","90","","7135.4","1.3","154","2","154","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","mu-4,5-diphenyimidazolato-bis(2,6-bis[1,1-bis(2-pyridyl)ethyl]pyridine)divanadium(II) tris(hexafluorophosphate)","","- C75 H64 F18 N13 P3 V2 -","- C75 H64 F18 N13 P3 V2 -","- C300 H256 F72 N52 P12 V8 -","4","1","","Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R.","High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes.","Nature chemistry","2010","2","5","362","368","10.1038/nchem.585","","","0.71073","MoKα","","0.1147","0.0643","","","0.1586","0.1831","","","","","","1.019","","","","has coordinates","194610","2020-10-21","18:00:00",""
"1508022","13.8924","0.0014","38.601","0.004","15.8142","0.0016","90","","106.114","0.002","90","","8147.3","1.4","154","2","154","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","mu-5,6-dimethylbenzimidazolato-bis(2,6-bis[1,1-bis(2-pyridyl)ethyl]pyridine)divanadium(II) tris(hexafluorophosphate)","","- C78 H79.5 F18 N15.5 O P3 V2 -","- C78 H79.5 F18 N15.5 O P3 V2 -","- C312 H318 F72 N62 O4 P12 V8 -","4","1","","Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R.","High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes.","Nature chemistry","2010","2","5","362","368","10.1038/nchem.585","","","0.71073","MoKα","","0.1267","0.0678","","","0.1583","0.1816","","","","","","1.019","","","","has coordinates","194610","2020-10-21","18:00:00",""
"1508023","23.4395","0.001","21.7426","0.001","17.4435","0.0008","90","","90","","90","","8889.8","0.7","151","2","151","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","mu-5,6-dimethylbenzImidazolato-bis(2,6-bis[1,1-bis(2-pyridyl)ethyl]pyridine)divanadium(II/III) tetrakis(hexafluorophosphate)","","- C81 H84 F24 N17 O P4 V2 -","- C81 H84 F24 N17 O P4 V2 -","- C324 H336 F96 N68 O4 P16 V8 -","4","1","","Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R.","High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes.","Nature chemistry","2010","2","5","362","368","10.1038/nchem.585","","","0.71073","MoKα","","0.059","0.0507","","","0.1321","0.1401","","","","","","1.03","","","","has coordinates","194610","2020-10-21","18:00:00",""
"1508024","9.832","0.002","10.944","0.002","12.335","0.003","94.45","0.03","97.04","0.03","104.09","0.03","1269.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) hexafluorophosphate with ""part-chair"" conformation_2CH3CN","","","- C42 H40 F24 N12 P4 -","- C42 H40 F24 N12 P4 -","- C42 H40 F24 N12 P4 -","1","0.5","","Gong, Han-Yuan; Rambo, Brett M.; Karnas, Elizabeth; Lynch, Vincent M.; Sessler, Jonathan L.","A 'Texas-sized' molecular box that forms an anion-induced supramolecular necklace.","Nature chemistry","2010","2","5","406","409","10.1038/nchem.597","","","0.71073","MoKα","","0.0488","0.0466","","","0.1142","0.1157","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508025","12.2809","0.0007","14.7942","0.0009","15.6032","0.001","64.702","0.002","86.784","0.002","77.402","0.002","2499.1","0.3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) hexafluorophosphate with ""boat"" conformation_CH3CN","","","- C40 H37 F24 N11 P4 -","- C40 H37 F24 N11 P4 -","- C80 H74 F48 N22 P8 -","2","1","","Gong, Han-Yuan; Rambo, Brett M.; Karnas, Elizabeth; Lynch, Vincent M.; Sessler, Jonathan L.","A 'Texas-sized' molecular box that forms an anion-induced supramolecular necklace.","Nature chemistry","2010","2","5","406","409","10.1038/nchem.597","","","0.7107","MoKα","","0.169","0.0864","","","0.1762","0.2109","","","","","","1.167","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508026","9.6484","0.0019","10.886","0.002","12.208","0.002","107.06","0.03","92.25","0.03","93.86","0.03","1220.7","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene)_mono-terephthalate anion_ hexafluorophosphate with ""part-chair"" conformation_4H2O","","","- C46 H47 F18 N10 O8 P3 -","- C46 H39 F18 N10 O8 P3 -","- C46 H39 F18 N10 O8 P3 -","1","0.5","","Gong, Han-Yuan; Rambo, Brett M.; Karnas, Elizabeth; Lynch, Vincent M.; Sessler, Jonathan L.","A 'Texas-sized' molecular box that forms an anion-induced supramolecular necklace.","Nature chemistry","2010","2","5","406","409","10.1038/nchem.597","","","0.71073","MoKα","","0.0654","0.0476","","","0.1188","0.1293","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508027","10.9546","0.0007","11.5774","0.0008","30.591","0.002","85.323","0.003","81.59","0.003","63.569","0.004","3436.2","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H41 F3 O3 P2 Pd S -","- C36 H41 F3 O3 P2 Pd S -","- C144 H164 F12 O12 P8 Pd4 S4 -","4","2","","Wassenaar, Jeroen; Jansen, Eveline; van Zeist, Willem-Jan; Bickelhaupt, F. Matthias; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H.","Catalyst selection based on intermediate stability measured by mass spectrometry.","Nature chemistry","2010","2","5","417","421","10.1038/nchem.614","","","0.71073","MoKα","","0.0651","0.0525","","","0.0999","0.1044","","","","","","1.255","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508028","13.2289","0.0017","23.185","0.003","23.482","0.003","90","","96.49","0.002","90","","7156.1","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 B F20 N2 P2 -","- C70 H70 B F20 N2 P2 -","- C280 H280 B4 F80 N8 P8 -","4","1","","Back, Olivier; Donnadieu, Bruno; Parameswaran, Pattiyil; Frenking, Gernot; Bertrand, Guy","Isolation of crystalline carbene-stabilized P(2)-radical cations and P(2)-dications.","Nature chemistry","2010","2","5","369","373","10.1038/nchem.617","","","0.71073","MoKα","","0.1209","0.0593","","","0.1165","0.1364","","","","","","0.943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508029","12.4547","0.0011","39.76","0.004","16.5856","0.0015","90","","97.978","0.001","90","","8133.7","1.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H77 B F21 N4 P2 -","- C84 H77 B F21 N4 P2 -","- C336 H308 B4 F84 N16 P8 -","4","1","","Back, Olivier; Donnadieu, Bruno; Parameswaran, Pattiyil; Frenking, Gernot; Bertrand, Guy","Isolation of crystalline carbene-stabilized P(2)-radical cations and P(2)-dications.","Nature chemistry","2010","2","5","369","373","10.1038/nchem.617","","","0.71073","MoKα","","0.0655","0.051","","","0.134","0.1416","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508030","11.9641","0.0008","12.3049","0.0007","12.6616","0.0007","88.469","0.003","62.462","0.003","63.204","0.003","1435.93","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 F3 N2 O3 P S -","- C28 H36 F3 N2 O3 P S -","- C56 H72 F6 N4 O6 P2 S2 -","2","1","","Back, Olivier; Donnadieu, Bruno; Parameswaran, Pattiyil; Frenking, Gernot; Bertrand, Guy","Isolation of crystalline carbene-stabilized P(2)-radical cations and P(2)-dications.","Nature chemistry","2010","2","5","369","373","10.1038/nchem.617","","","0.71073","MoKα","","0.0586","0.051","","","0.1245","0.1289","","","","","","1.105","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508031","19.3329","0.0005","19.3329","0.0005","19.3329","0.0005","90","","90","","90","","7225.9","0.3","293","2","293","2","","","","","","","","7","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C40 H40 Ag26 N60 O80 P2 W24 -","- C36 H36 Ag26.04 N54 O80 P2 W24 -","- C72 H72 Ag52.08 N108 O160 P4 W48 -","2","0.0416667","","Kuang, Xiaofei; Wu, Xiaoyuan; Yu, Rongmin; Donahue, James P.; Huang, Jinshun; Lu, Can-Zhong","Assembly of a metal-organic framework by sextuple intercatenation of discrete adamantane-like cages.","Nature chemistry","2010","2","6","461","465","10.1038/nchem.618","","","0.71073","MoKα","","0.0791","0.0771","","","0.2306","0.2356","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508032","15.5486","0.0002","21.1547","0.0002","23.1083","0.0002","90","","90","","90","","7600.92","0.14","153","2","153","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 N3 O40 P V2 W10 -","- C24 N3 O40 P V2 W10 -","- C96 N12 O160 P4 V8 W40 -","4","0.5","","Kamata, Keigo; Yonehara, Kazuhiro; Nakagawa, Yoshinao; Uehara, Kazuhiro; Mizuno, Noritaka","Efficient stereo- and regioselective hydroxylation of alkanes catalysed by a bulky polyoxometalate.","Nature chemistry","2010","2","6","478","483","10.1038/nchem.648","","x-ray","0.71069","MoKα","","","0.0761","","","","0.2302","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508033","15.13","0.003","25.587","0.004","31.3","0.006","90","","90","","90","","12117","4","153","2","153","2","","","","","","","","5","P c c 2","P 2 -2c","27","","","","- C126 H140 B2 N3 O8 -","- C126 H140 B2 N3 O8 -","- C504 H560 B8 N12 O32 -","4","1","","Miwa, Kazuhiro; Furusho, Yoshio; Yashima, Eiji","Ion-triggered spring-like motion of a double helicate accompanied by anisotropic twisting.","Nature chemistry","2010","2","6","444","449","10.1038/nchem.649","","","0.71073","MoKa","","0.1612","0.1037","","","0.2745","0.3175","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508034","15.661","0.002","27.148","0.004","26.357","0.004","90","","95.726","0.003","90","","11150","3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H142 B2 N7 Na O8 -","- C126 H127 B2 N7 Na O8 -","- C504 H508 B8 N28 Na4 O32 -","4","1","","Miwa, Kazuhiro; Furusho, Yoshio; Yashima, Eiji","Ion-triggered spring-like motion of a double helicate accompanied by anisotropic twisting.","Nature chemistry","2010","2","6","444","449","10.1038/nchem.649","","","0.71073","MoKa","","0.1006","0.0677","","","0.1871","0.2143","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508035","13.582","0.0002","14.3581","0.0002","20.6839","0.0003","90","","90","","90","","4033.6","0.1","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","6b","","","- C37 H57 F3 Fe N2 O3 P3 S Si -","- C37 H58 F3 Fe N2 O3 P3 S Si -","- C148 H232 F12 Fe4 N8 O12 P12 S4 Si4 -","4","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.0239","0.0233","","","0.059","0.0592","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508036","13.2539","0.0003","16.3059","0.0003","21.3757","0.0004","90","","90.561","0.001","90","","4619.43","0.16","100","2","100","2","","","","","","","","9","P 1 n 1","P -2yac","7","7a","","","- C98 H81 B F24 Fe N O3 P3 Si -","- C98 H81 B F24 Fe N O3 P3 Si -","- C196 H162 B2 F48 Fe2 N2 O6 P6 Si2 -","2","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.0336","0.0329","","","0.0911","0.0915","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508037","12.9134","0.0015","38.169","0.004","14.466","0.0016","90","","92.377","0.002","90","","7124","1.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","7b","","","- C68 H69 B F24 Fe N P3 Si -","- C68 H69 B F24 Fe N P3 Si -","- C272 H276 B4 F96 Fe4 N4 P12 Si4 -","4","2","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.1217","0.0626","","","0.1221","0.1452","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508039","16.802","0.0015","14.061","0.0013","25.384","0.002","90","","104.615","0.002","90","","5803","0.9","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","8","","","- C65 H62 F3 Fe N2 O4 P3 S Si -","- C65 H62 F3 Fe N2 O4 P3 S Si -","- C260 H248 F12 Fe4 N8 O16 P12 S4 Si4 -","4","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.119","0.0799","","","0.2082","0.2389","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508040","19.2563","0.0006","14.1012","0.0004","24.8052","0.0008","90","","103.907","0.002","90","","6538.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","9a","","","- C78 H51 B F15 Fe N2 P3 Si -","- C78 H51 B F15 Fe N2 P3 Si -","- C312 H204 B4 F60 Fe4 N8 P12 Si4 -","4","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.0938","0.0555","","","0.1219","0.1385","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508041","14.1228","0.0003","21.6463","0.0004","21.0628","0.0004","90","","95.819","0.001","90","","6405.9","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","9b","","","- C65 H83 B F15 Fe N2 P3 Si -","- C65 H83 B F15 Fe N2 P3 Si -","- C260 H332 B4 F60 Fe4 N8 P12 Si4 -","4","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.0471","0.0459","","","0.1271","0.1281","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508042","22.9376","0.0005","12.8125","0.0003","36.9247","0.001","90","","102.808","0.001","90","","10581.7","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","10","","","- C60 H47 Fe N2 P3 Si -","- C60 H47 Fe N2 P3 Si -","- C480 H376 Fe8 N16 P24 Si8 -","8","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.1207","0.1175","","","0.3787","0.3823","","","","","","3.612","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508043","12.6062","0.0003","17.7714","0.0004","20.2427","0.0004","68.604","0.001","81.731","0.001","87.512","0.001","4178.33","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","11","","","- C92 H59 B F24 Fe N2 P3 Si -","- C92 H59 B F24 Fe N2 P3 Si -","- C184 H118 B2 F48 Fe2 N4 P6 Si2 -","2","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.0392","0.0375","","","0.0968","0.0981","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508044","12.8552","0.0012","18.869","0.0018","17.1044","0.0016","90","","92.116","0.002","90","","4146.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","12","","","- C39 H63 Fe N2 P3 Si2 -","- C39 H63 Fe N2 P3 Si2 -","- C156 H252 Fe4 N8 P12 Si8 -","4","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.1141","0.0594","","","0.1049","0.1255","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508045","12.9352","0.0005","17.4246","0.0007","19.4686","0.0008","90","","98.894","0.001","90","","4335.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1a","","","- C60 H50 Fe P3 Si -","- C55 H45 Fe P3 Si -","- C220 H180 Fe4 P12 Si4 -","4","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.0412","0.034","","","0.0867","0.0919","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508046","16.0034","0.0012","17.018","0.0013","26.118","0.002","90","","90","","90","","7113.1","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1b","","","- C37 H57 Fe P3 Si -","- C37 H57 Fe P3 Si -","- C296 H456 Fe8 P24 Si8 -","8","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.0601","0.0379","","","0.0913","0.107","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508047","26.3222","0.0003","19.5893","0.0002","27.3174","0.0003","90","","90","","90","","14085.8","0.3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","3","","","- C68 H66 B F24 Fe N2 P3 Si -","- C68 H66 B F24 Fe N2 P3 Si -","- C544 H528 B8 F192 Fe8 N16 P24 Si8 -","8","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.051","0.0413","","","0.1013","0.1071","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508048","16.085","0.003","17.133","0.003","25.58","0.005","90","","90","","90","","7049","2","100","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","4b","","","- C36 H54 Fe N2 P3 Si -","- C36 H54 Fe N2 P3 Si -","- C288 H432 Fe8 N16 P24 Si8 -","8","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.0566","0.037","","","0.0841","0.0957","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508049","17.9312","0.0003","17.9312","0.0003","13.1252","0.0004","90","","90","","120","","3654.73","0.14","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","5","","","- C48 H78 Fe N2 Na O3 P3 Si -","- C48 H78 Fe N2 Na O3 P3 Si -","- C144 H234 Fe3 N6 Na3 O9 P9 Si3 -","3","0.333333","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.0245","0.024","","","0.0598","0.06","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508050","10.914","0.002","27.66","0.005","22.517","0.004","90","","90.607","0.006","90","","6797","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","5'","","","- C64 H110 Fe N2 Na O11 P3 Si -","- C64 H110 Fe N2 Na O11 P3 Si -","- C256 H440 Fe4 N8 Na4 O44 P12 Si4 -","4","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.1271","0.0776","","","0.193","0.2289","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508051","21.1566","0.0004","21.4783","0.0004","22.3299","0.0007","105.835","0.001","115.183","0.001","104.537","0.001","8010.2","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","6a-BArF","","","- C86 H59 B F24 Fe N2 P3 Si -","- C86 H59 B F24 Fe N2 P3 Si -","- C344 H236 B4 F96 Fe4 N8 P12 Si4 -","4","2","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.06","0.0412","","","0.097","0.1035","","","","","","0.925","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508052","13.7155","0.0015","18.226","0.002","21.536","0.002","95.141","0.002","94.656","0.002","95.372","0.002","5316.5","1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","6a-OTf","","","- C55 H48 F3 Fe N2 O3 P2 S Si -","- C59 H50 F3 Fe N2 O4 P3 S Si -","- C236 H200 F12 Fe4 N8 O16 P12 S4 Si4 -","4","2","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.1245","0.0911","","","0.2505","0.2729","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508053","13.1928","0.0003","20.6445","0.0006","15.0686","0.0004","90","","105.754","0.003","90","","3949.9","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2-dioxa-4,8-diaza-3-sila-spiro[2.5]oct-5-ene, 3-[1,3-dihydro-1,3- bis(1-methylethyl)- 4,5-dimethyl-2H-imidazol-2-ylidene)]-4,8- Bis-[2,6- bis(1-methylethyl)phenyl]-5-methyl-7-methylene-","","- C40 H60 N4 O2 Si -","- C40 H60 N4 O2 Si -","- C160 H240 N16 O8 Si4 -","4","1","","Xiong, Yun; Yao, Shenglai; Müller, Robert; Kaupp, Martin; Driess, Matthias","From silicon(II)-based dioxygen activation to adducts of elusive dioxasiliranes and sila-ureas stable at room temperature.","Nature chemistry","2010","2","7","577","580","10.1038/nchem.666","","","0.71073","MoKα","","0.1211","0.0675","","","0.1376","0.1559","","","","","","1.021","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508054","17.0069","0.0005","13.0836","0.0005","18.0462","0.0006","90","","108.997","0.004","90","","3796.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2-dioxa-4,8-diaza-3-sila-spiro[2.5]oct-5-ene, 3-[1,3-dihydro-1,3,4,5-tetramethyl-2H-imidazol- 2-ylidene)]-4,8-Bis-[2,6- bis(1-methylethyl)phenyl]- 5-methyl-7-methylene-","","- C39.5 H56 N4 O2 Si -","- C39.5 H56 N4 O2 Si -","- C158 H224 N16 O8 Si4 -","4","1","","Xiong, Yun; Yao, Shenglai; Müller, Robert; Kaupp, Martin; Driess, Matthias","From silicon(II)-based dioxygen activation to adducts of elusive dioxasiliranes and sila-ureas stable at room temperature.","Nature chemistry","2010","2","7","577","580","10.1038/nchem.666","","","0.71073","MoKα","","0.123","0.0615","","","0.1243","0.1435","","","","","","1.014","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508055","12.1047","0.0003","16.482","0.0006","19.5115","0.0006","90","","94.666","0.003","90","","3879.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,4-dihydro-1H-[1,3,2]diazasiline 2-oxide, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-2- [1,3-dihydro-4,5-dimethyl-1,3-bis(1-methylethyl)-2H- imidazol-2-ylidene]-4-methyl-6-methylene-","","- C40 H60 N4 O2 Si -","- C40 H60 N4 O2 Si -","- C160 H240 N16 O8 Si4 -","4","1","","Xiong, Yun; Yao, Shenglai; Müller, Robert; Kaupp, Martin; Driess, Matthias","From silicon(II)-based dioxygen activation to adducts of elusive dioxasiliranes and sila-ureas stable at room temperature.","Nature chemistry","2010","2","7","577","580","10.1038/nchem.666","","","0.71073","MoKα","","0.1256","0.0667","","","0.119","0.1363","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508056","11.985","0.002","11.542","0.002","15.364","0.003","90","","107.15","0.03","90","","2030.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H72 Mn2 N4 Na2 O -","- C36 H72 Mn2 N4 Na2 O -","- C72 H144 Mn4 N8 Na4 O2 -","2","0.5","","Mulvey, Robert E.; Blair, Victoria L.; Clegg, William; Kennedy, Alan R.; Klett, Jan; Russo, Luca","Cleave and capture chemistry illustrated through bimetallic-induced fragmentation of tetrahydrofuran.","Nature chemistry","2010","2","7","588","591","10.1038/nchem.667","","","0.71073","MoKα","","0.0496","0.0314","","","0.0708","0.0788","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508057","8.2736","0.0003","21.4955","0.0008","16.5688","0.0006","90","","90.708","0.004","90","","2946.46","0.19","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H108 Mg2 N8 Na2 -","- C52 H108 Mg2 N8 Na2 -","- C104 H216 Mg4 N16 Na4 -","2","0.5","","Mulvey, Robert E.; Blair, Victoria L.; Clegg, William; Kennedy, Alan R.; Klett, Jan; Russo, Luca","Cleave and capture chemistry illustrated through bimetallic-induced fragmentation of tetrahydrofuran.","Nature chemistry","2010","2","7","588","591","10.1038/nchem.667","","","0.71073","MoKα","","0.061","0.0378","","","0.0985","0.1036","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508058","8.2875","0.0003","21.6756","0.0009","16.5068","0.0007","90","","90.465","0.004","90","","2965.1","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52.4 H108 Mn2 N8 Na2 -","- C52.4 H108 Mn2 N8 Na2 -","- C104.8 H216 Mn4 N16 Na4 -","2","0.5","","Mulvey, Robert E.; Blair, Victoria L.; Clegg, William; Kennedy, Alan R.; Klett, Jan; Russo, Luca","Cleave and capture chemistry illustrated through bimetallic-induced fragmentation of tetrahydrofuran.","Nature chemistry","2010","2","7","588","591","10.1038/nchem.667","","","0.71073","MoKα","","0.0882","0.0549","","","0.1318","0.1424","","","","","","1.072","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508059","9.489","0.002","26.246","0.006","9.898","0.002","90","","90","","90","","2465.1","0.9","150","2","150","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C21 H20 Cl Mn N4 O9 Re -","- C21 H20 Cl Mn N4 O9 Re -","- C84 H80 Cl4 Mn4 N16 O36 Re4 -","4","0.5","","Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong","Photoreactivity examined through incorporation in metal-organic frameworks.","Nature chemistry","2010","2","8","688","694","10.1038/nchem.681","","","0.71073","MoKα","","0.114","0.0832","","","0.183","0.194","","","","","","1.17","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508060","9.281","0.002","25.932","0.005","9.709","0.002","90","","90","","90","","2336.7","0.8","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C21 H20 Cl Mn2 N4 O9 -","- C21 H20 Cl Mn2 N4 O9 -","- C84 H80 Cl4 Mn8 N16 O36 -","4","0.5","","Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong","Photoreactivity examined through incorporation in metal-organic frameworks.","Nature chemistry","2010","2","8","688","694","10.1038/nchem.681","","","0.72","synchrotron","","0.115","0.0884","","","0.217","0.238","","","","","","1.08","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508061","9.062","0.0018","25.6","0.005","9.618","0.0019","90","","90","","90","","2231.3","0.8","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C21 H20 Cl Mn2 N4 O8 -","- C20 H6 Cl2 Mn2 N4 O8 -","- C80 H24 Cl8 Mn8 N16 O32 -","4","0.5","","Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong","Photoreactivity examined through incorporation in metal-organic frameworks.","Nature chemistry","2010","2","8","688","694","10.1038/nchem.681","","","0.72","synchrotron","","0.227","0.209","","","0.485","0.505","","","","","","1.96","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508062","11.4341","0.0013","12.5791","0.0014","14.7759","0.0014","90","","90","","90","","2125.2","0.4","223.1","","223.1","","","","","","","","","4","P c c m","-P 2 2c","49","","","","- C41 H20 N11 Zn -","- C41 H20 N11 Zn -","- C82 H40 N22 Zn2 -","2","0.25","","Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu","Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer.","Nature chemistry","2010","2","8","633","637","10.1038/nchem.684","","","0.7107","MoKα","","","0.0711","","","","0.0814","","","","","","0.852","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508063","11.419","0.004","12.67","0.005","14.752","0.005","90","","90","","90","","2134.3","1.3","223.1","","223.1","","","","","","","","","5","P c c m","-P 2 2c","49","","","","- C41 H16 N10 O Zn -","- C41 H16 N10 O Zn -","- C82 H32 N20 O2 Zn2 -","2","0.25","","Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu","Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer.","Nature chemistry","2010","2","8","633","637","10.1038/nchem.684","","","0.7107","MoKα","","","0.0816","","","","0.0955","","","","","","0.917","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508064","11.3749","0.0017","12.7239","0.0019","14.801","0.002","90","","90","","90","","2142.2","0.5","223.1","","223.1","","","","","","","","","4","P c c m","-P 2 2c","49","","","","- C42 H26 N10 Zn -","- C42 H26 N10 Zn -","- C84 H52 N20 Zn2 -","2","0.25","","Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu","Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer.","Nature chemistry","2010","2","8","633","637","10.1038/nchem.684","","","0.7107","MoKα","","","0.0672","","","","0.0678","","","","","","0.894","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508065","22.857","0.006","12.614","0.003","14.604","0.004","90","","90","","90","","4210.6","1.9","223.1","","223.1","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C46 H16 F8 N10 Zn -","- C46 H16 F8 N10 Zn -","- C184 H64 F32 N40 Zn4 -","4","0.5","","Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu","Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer.","Nature chemistry","2010","2","8","633","637","10.1038/nchem.684","","","0.7107","MoKα","","","0.0678","","","","0.0832","","","","","","0.927","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508066","16.844","0.001","17.393","0.001","20.257","0.001","84.064","0.004","82.693","0.004","87.212","0.004","5851.1","0.6","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C119.36 H115.1 B3 Cu3 F11.9 N20 O16 -","- C119.36 H115.1 B3 Cu3 F11.9 N20 O16 -","- C238.72 H230.2 B6 Cu6 F23.8 N40 O32 -","2","1","","Campbell, Victoria E.; de Hatten, Xavier; Delsuc, Nicolas; Kauffmann, Brice; Huc, Ivan; Nitschke, Jonathan R.","Cascading transformations within a dynamic self-assembled system.","Nature chemistry","2010","2","8","684","687","10.1038/nchem.693","","","1.54178","CuKα","","0.3109","0.1437","","","0.334","0.4307","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508067","23.958","","26.469","","51.79","","90","","94.12","","90","","32757.5","","213","2","213","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C109 H87.66666 B2 Cl1.33333 Cu F8.49333 N16 O17.33333 Zn2 -","- C109 H87.6667 B2 Cl1.33333 Cu F8.49333 N16 O17.3333 Zn2 -","- C1308 H1052 B24 Cl16 Cu12 F101.92 N192 O208 Zn24 -","12","3","","Campbell, Victoria E.; de Hatten, Xavier; Delsuc, Nicolas; Kauffmann, Brice; Huc, Ivan; Nitschke, Jonathan R.","Cascading transformations within a dynamic self-assembled system.","Nature chemistry","2010","2","8","684","687","10.1038/nchem.693","","","1.54178","CuKα","","0.2843","0.1887","","","0.4652","0.5323","","","","","","1.901","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508068","12.297","0.001","9.9506","0.001","29.05","0.003","90","","90","","90","","3554.6","0.6","370","","370","","","","","","","","","4","A m m 2","A 2 -2","38","","","","- C60 Cl6 Li Sb -","- C60 Cl6 Li Sb -","- C240 Cl24 Li4 Sb4 -","4","0.5","","Aoyagi, Shinobu; Nishibori, Eiji; Sawa, Hiroshi; Sugimoto, Kunihisa; Takata, Masaki; Miyata, Yasumitsu; Kitaura, Ryo; Shinohara, Hisanori; Okada, Hiroshi; Sakai, Takeshi; Ono, Yoshihiro; Kawachi, Kazuhiko; Yokoo, Kuniyoshi; Ono, Shoichi; Omote, Kenji; Kasama, Yasuhiko; Ishikawa, Shinsuke; Komuro, Takashi; Tobita, Hiromi","A layered ionic crystal of polar Li@C(60) superatoms.","Nature chemistry","2010","2","8","678","683","10.1038/nchem.698","","","0.3525","synchrotron","","0.0629","0.0469","","","0.1349","0.1451","","","","","","1.021","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508069","28.919","0.0019","25.0844","0.0013","26.4151","0.0013","90","","100.103","0.006","90","","18864.8","1.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C87 H54 F3 Fe N4 O9 S -","- C87 H54 F3 Fe N4 O9 S -","- C696 H432 F24 Fe8 N32 O72 S8 -","8","1","","Zhu, Zhixue; Cardin, Christine J.; Gan, Yu; Colquhoun, Howard M.","Sequence-selective assembly of tweezer molecules on linear templates enables frameshift-reading of sequence information.","Nature chemistry","2010","2","8","653","660","10.1038/nchem.699","","","1.54184","CuKα","","0.2073","0.1539","","","0.4028","0.4331","","","","","","1.34","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508070","28.5423","0.0002","22.2297","0.0001","28.8082","0.0002","90","","112.759","0.001","90","","16855.3","0.2","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C96 H55 N3 O14 S2 -","- C96 H55 N3 O14 S2 -","- C768 H440 N24 O112 S16 -","8","1","","Zhu, Zhixue; Cardin, Christine J.; Gan, Yu; Colquhoun, Howard M.","Sequence-selective assembly of tweezer molecules on linear templates enables frameshift-reading of sequence information.","Nature chemistry","2010","2","8","653","660","10.1038/nchem.699","","","1.54184","CuKα","","0.1076","0.0935","","","0.2996","0.3175","","","","","","1.265","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508071","17.482","0.004","12.657","0.003","12.915","0.003","90","","90","","90","","2857.7","1.2","120","1","120","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H40 N4 U -","- C32 H25 N4 U -","- C128 H100 N16 U4 -","4","0.5","","Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L.","Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride.","Nature chemistry","2010","2","9","723","729","10.1038/nchem.705","","","0.71073","MoKα","","0.0736","0.0568","","","0.1599","0.1625","","","","","","2.211","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508072","16.886","0.009","16.953","0.009","20.895","0.011","90","","90","","90","","5982","5","141","1","141","1","","","","","","","","5","P c 21 b","P -2bc -2c","29","","","","- C26 H48 N4 Si2 U -","- C26 H48 N4 Si2 U -","- C208 H384 N32 Si16 U8 -","8","2","","Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L.","Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride.","Nature chemistry","2010","2","9","723","729","10.1038/nchem.705","","","0.71073","MoKα","","0.1072","0.0658","","","0.1512","0.1785","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508073","9.5877","0.0007","10.3919","0.0008","18.0297","0.0014","75.277","0.001","88.379","0.001","63.624","0.001","1549.1","0.2","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H52 N4 Si2 U -","- C28 H52 N4 Si2 U -","- C56 H104 N8 Si4 U2 -","2","1","","Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L.","Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride.","Nature chemistry","2010","2","9","723","729","10.1038/nchem.705","","","0.71073","MoKα","","0.0215","0.0198","","","0.053","0.0539","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508074","31.4069","0.0019","31.4069","0.0019","23.029","0.003","90","","90","","90","","22716","4","140","1","140","1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H48 N2 Si2 U -","- C26 H48 N2 Si2 U -","- C832 H1536 N64 Si64 U32 -","32","2","","Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L.","Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride.","Nature chemistry","2010","2","9","723","729","10.1038/nchem.705","","","0.71073","MoKα","","0.0478","0.0294","","","0.067","0.0737","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508076","13.6355","0.001","25.5997","0.0018","14.2579","0.001","90","","100.183","0.001","90","","4898.5","0.6","140","1","140","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 B F15 N4 Si2 U -","- C46 H52 B F15 N4 Si2 U -","- C184 H208 B4 F60 N16 Si8 U4 -","4","1","","Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L.","Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride.","Nature chemistry","2010","2","9","723","729","10.1038/nchem.705","","","0.71073","MoKα","","0.0431","0.0282","","","0.0561","0.0611","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508078","41.437","0.0012","41.437","0.0012","7.633","0.0004","90","","90","","120","","11350.2","0.8","133","2","133","2","","","","","","","","4","R -3 :H","-R 3","148","compound1","tris(di-η5-cyclopentadienyl-ruthenyl)samarium","","- C30 H30 Re3 Sm -","- C30 H30 Re3 Sm -","- C540 H540 Re54 Sm18 -","18","1","","Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett","Molecules containing rare-earth atoms solely bonded by transition metals.","Nature chemistry","2010","2","9","741","744","10.1038/nchem.718","","","0.71069","MoKα","","0.0827","0.0489","","","0.0849","0.0927","","","","","","1.013","","","","has coordinates","210196","2020-10-21","18:00:00",""
"1508080","41.12","0.0015","41.12","0.0015","7.648","0.0004","90","","90","","120","","11199.1","0.8","133","2","133","2","","","","","","","","4","R -3 :H","-R 3","148","compound2","tris(di-η5-cyclopentadienyl-ruthenyl)lutetium","","- C30 H30 Lu Re3 -","- C30 H30 Lu Re3 -","- C540 H540 Lu18 Re54 -","18","1","","Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett","Molecules containing rare-earth atoms solely bonded by transition metals.","Nature chemistry","2010","2","9","741","744","10.1038/nchem.718","","","0.71069","MoKα","","0.066","0.0403","","","0.0833","0.0886","","","","","","0.899","","","","has coordinates","210196","2020-10-21","18:00:00",""
"1508081","41.647","0.0014","41.647","0.0014","7.612","0.0004","90","","90","","120","","11434","0.8","133","2","133","2","","","","","","","","4","R -3 :H","-R 3","148","compound3","tris(di-η5-cyclopentadienyl-ruthenyl)lanthanum","","- C30 H30 La Re3 -","- C30 H30 La Re3 -","- C540 H540 La18 Re54 -","18","1","","Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett","Molecules containing rare-earth atoms solely bonded by transition metals.","Nature chemistry","2010","2","9","741","744","10.1038/nchem.718","","","0.71073","MoKα","","0.0798","0.0417","","","0.0732","0.0809","","","","","","0.976","","","","has coordinates","210196","2020-10-21","18:00:00",""
"1508082","12.242","0.0006","21.612","0.0011","17.762","0.0009","90","","94.794","0.004","90","","4682.9","0.4","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound4","bis[(di-η5-cyclopentadienyl-ruthenyl)(η5-cyclopentadienyl-η5-μ3-cyclopentadiendiyl-ruthenyl)(tetrahydrofuran)lanthanum]","","- C55 H62 La2 O2 Re4 -","- C55 H62 La2 O2 Re4 -","- C220 H248 La8 O8 Re16 -","4","1","","Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett","Molecules containing rare-earth atoms solely bonded by transition metals.","Nature chemistry","2010","2","9","741","744","10.1038/nchem.718","","","0.71069","MoKα","","0.078","0.0469","","","0.0868","0.0949","","","","","","0.952","","","","has coordinates,has disorder","210196","2020-10-21","18:00:00",""
"1508083","13.5724","0.0002","19.5079","0.0003","7.0896","0.0001","90","","98.542","0.001","90","","1856.28","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl N2 O4 -","- C20 H18 Cl N2 O4 -","- C80 H72 Cl4 N8 O16 -","4","1","","Raup, Dustin E. A.; Cardinal-David, Benoit; Holte, Dane; Scheidt, Karl A.","Cooperative catalysis by carbenes and Lewis acids in a highly stereoselective route to gamma-lactams.","Nature chemistry","2010","2","9","766","771","10.1038/nchem.727","","","0.71073","MoKα","","0.0777","0.0399","","","0.0996","0.1327","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508084","10.2485","0.0005","11.2076","0.0004","18.7161","0.0007","90","","90","","90","","2149.75","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br N2 O3 -","- C25 H21 Br N2 O3 -","- C100 H84 Br4 N8 O12 -","4","1","","Antonchick, Andrey P.; Gerding-Reimers, Claas; Catarinella, Mario; Schürmann, Markus; Preut, Hans; Ziegler, Slava; Rauh, Daniel; Waldmann, Herbert","Highly enantioselective synthesis and cellular evaluation of spirooxindoles inspired by natural products.","Nature chemistry","2010","2","9","735","740","10.1038/nchem.730","","","0.71073","MoKα","","0.0296","0.0248","","","0.0554","0.056","","","","","","0.972","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508085","12.3656","0.0011","16.4492","0.0013","19.9866","0.0017","90","","94.337","0.004","90","","4053.7","0.6","293","2","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane)(oxo)iron(IV) tris(trifluoromethanesulfonate)(hydroxo)scandium(III) acetonitrile solvate","","- C20 H36 F12 Fe N5 O14 S4 Sc -","- C20 H36 F12 Fe N5 O14 S4 Sc -","- C80 H144 F48 Fe4 N20 O56 S16 Sc4 -","4","1","","Fukuzumi, Shunichi; Morimoto, Yuma; Kotani, Hiroaki; Naumov, Pance; Lee, Yong-Min; Nam, Wonwoo","Crystal structure of a metal ion-bound oxoiron(IV) complex and implications for biological electron transfer.","Nature chemistry","2010","2","9","756","759","10.1038/nchem.731","","","0.71073","MoKα","","0.0801","0.059","","","0.167","0.1862","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508086","15.7125","0.0003","15.7125","0.0003","47.3137","0.0014","90","","90","","90","","11680.9","0.5","293","2","293","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C38 H8 Cu2 N2 O12 -","- C38 H8 Cu2 N2 O12 -","- C304 H64 Cu16 N16 O96 -","8","0.5","","Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin","A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis.","Nature chemistry","2010","2","10","838","846","10.1038/nchem.738","","","0.71073","MoKα","","0.0501","0.045","","","0.1267","0.1299","","","","","","0.975","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508087","21.4169","0.0003","21.4169","0.0003","57.6768","0.0011","90","","90","","90","","26455.4","0.7","223","2","223","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C36 H26 Cu2 O12 -","- C36 H26 Cu2 O12 -","- C288 H208 Cu16 O96 -","8","0.5","","Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin","A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis.","Nature chemistry","2010","2","10","838","846","10.1038/nchem.738","","","1.54178","CuKα","","0.0716","0.0519","","","0.1163","0.1233","","","","","","0.856","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508088","21.049","0.005","21.049","0.005","57.878","0.013","90","","90","","90","","25643","10","223","2","223","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C32 H16 Cu2 O12 -","- C32 H16 Cu2 O12 -","- C256 H128 Cu16 O96 -","8","0.5","","Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin","A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis.","Nature chemistry","2010","2","10","838","846","10.1038/nchem.738","","","0.71073","MoKα","","0.1121","0.0648","","","0.1596","0.1719","","","","","","0.849","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508089","23.849","0.006","23.849","0.006","73.11","0.02","90","","90","","90","","41583","19","223","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C48 H26 Cu2 O12 -","- C48 H26 Cu2 O12 -","- C384 H208 Cu16 O96 -","8","0.5","","Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin","A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis.","Nature chemistry","2010","2","10","838","846","10.1038/nchem.738","","","1.54178","CuKα","","0.0851","0.0521","","","0.1261","0.1363","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508090","30.9491","0.0013","30.9491","0.0013","80.725","0.003","90","","90","","90","","77322","5","296","2","296","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C60 H32 Cu2 O12 -","- C60 H32 Cu2 O12 -","- C480 H256 Cu16 O96 -","8","0.5","","Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin","A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis.","Nature chemistry","2010","2","10","838","846","10.1038/nchem.738","","","1.54178","CuKα","","0.162","0.1249","","","0.3043","0.3226","","","","","","1.323","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508091","30.7816","0.0018","30.7816","0.0018","81.603","0.005","90","","90","","90","","77319","8","296","2","296","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C56 H32 Cu2 O12 -","- C56 H32 Cu2 O12 -","- C448 H256 Cu16 O96 -","8","0.5","","Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin","A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis.","Nature chemistry","2010","2","10","838","846","10.1038/nchem.738","","","1.54178","CuKα","","0.1506","0.0923","","","0.2295","0.2515","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508092","20.043","0.003","20.043","0.003","55.912","0.011","90","","90","","120","","19452","6","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","cage3a-catenane","","","- C115 H154 N24 O10 -","- C114.98 H127.92 N24 O9.98 -","- C689.88 H767.52 N144 O59.88 -","6","0.166667","","Hasell, Tom; Wu, Xiaofeng; Jones, James T. A.; Bacsa, John; Steiner, Alexander; Mitra, Tamoghna; Trewin, Abbie; Adams, Dave J.; Cooper, Andrew I.","Triply interlocked covalent organic cages.","Nature chemistry","2010","2","9","750","755","10.1038/nchem.739","","","0.71073","MoKα","","0.1655","0.1286","","","0.3111","0.3396","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508093","16.861","0.003","32.059","0.006","29.48","0.006","90","","90","","90","","15935","5","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","cage3b-catenane","","","- C73.5 H87 Cl15 N12 -","- C68.5 H77 Cl5 N12 -","- C548 H616 Cl40 N96 -","8","1","","Hasell, Tom; Wu, Xiaofeng; Jones, James T. A.; Bacsa, John; Steiner, Alexander; Mitra, Tamoghna; Trewin, Abbie; Adams, Dave J.; Cooper, Andrew I.","Triply interlocked covalent organic cages.","Nature chemistry","2010","2","9","750","755","10.1038/nchem.739","","","0.71073","MoKα","","0.1267","0.1006","","","0.2551","0.2815","","","","","","1.001","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1508094","25.511","0.009","16.802","0.006","24.782","0.008","90","","101.733","0.005","90","","10401","6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","cage3c-catenane-xylene","","","- C120 H124 N24 -","- C120 H126 N24 -","- C480 H504 N96 -","4","0.5","","Hasell, Tom; Wu, Xiaofeng; Jones, James T. A.; Bacsa, John; Steiner, Alexander; Mitra, Tamoghna; Trewin, Abbie; Adams, Dave J.; Cooper, Andrew I.","Triply interlocked covalent organic cages.","Nature chemistry","2010","2","9","750","755","10.1038/nchem.739","","","0.71073","MoKα","","0.0951","0.0591","","","0.1395","0.1574","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508095","10.8757","0.0017","14.151","0.002","26.065","0.004","92.55","0.003","99.061","0.003","104.57","0.003","3819.1","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","cage4c-mesitylene","","","- C84 H96 N12 -","- C84 H96 N12 -","- C168 H192 N24 -","2","1","","Hasell, Tom; Wu, Xiaofeng; Jones, James T. A.; Bacsa, John; Steiner, Alexander; Mitra, Tamoghna; Trewin, Abbie; Adams, Dave J.; Cooper, Andrew I.","Triply interlocked covalent organic cages.","Nature chemistry","2010","2","9","750","755","10.1038/nchem.739","","","0.71073","MoKα","","0.1964","0.1063","","","0.175","0.1982","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508096","37.461","0.005","37.461","0.005","37.461","0.005","90","","90","","90","","52570","12","90","2","90","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C26 H16 Co N10 S2 -","- C26 H16 Co N10 S2 -","- C624 H384 Co24 N240 S48 -","24","0.125","","Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto","Networked molecular cages as crystalline sponges for fullerenes and other guests.","Nature chemistry","2010","2","9","780","783","10.1038/nchem.742","","","0.71073","MoKα","","0.1286","0.0998","","","0.283","0.2978","","","","","","2.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508097","26.405","0.004","26.405","0.004","36.631","0.005","90","","90","","90","","25540","6","90","2","90","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C102 H64 Co3 N30 S22 -","- C102 H64 Co3 N30 S22 -","- C408 H256 Co12 N120 S88 -","4","0.25","","Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto","Networked molecular cages as crystalline sponges for fullerenes and other guests.","Nature chemistry","2010","2","9","780","783","10.1038/nchem.742","","","0.71073","MoKα","","0.1476","0.0853","","","0.2257","0.2604","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508098","74.972","0.002","74.972","0.002","74.972","0.002","90","","90","","90","","421403","19","90","2","90","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C80 H64.5 Co N14.5 S2 -","- C80 H64.5 Co N14.5 S2 -","- C15360 H12384 Co192 N2784 S384 -","192","1","","Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto","Networked molecular cages as crystalline sponges for fullerenes and other guests.","Nature chemistry","2010","2","9","780","783","10.1038/nchem.742","","","0.71073","MoKα","","0.1916","0.1479","","","0.3883","0.4544","","","","","","1.945","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508099","27.886","0.004","27.886","0.004","30.086","0.004","90","","90","","90","","23396","6","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C132 H160 N48 O36 Pd6 S16 -","- C132 H160 N48 O36 Pd6 S16 -","- C528 H640 N192 O144 Pd24 S64 -","4","0.25","","Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto","Networked molecular cages as crystalline sponges for fullerenes and other guests.","Nature chemistry","2010","2","9","780","783","10.1038/nchem.742","","","0.71073","MoKα","","0.0633","0.0535","","","0.138","0.1457","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508100","28.643","0.005","14.21","0.005","24.502","0.005","90","","99.38","0.005","90","","9839","4","160","2","160","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C84 H64 F24 N4 P4 S24 -","- C84 H64 F24 N4 P4 S24 -","- C336 H256 F96 N16 P16 S96 -","4","1","","Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser","Highly stable tetrathiafulvalene radical dimers in [3]catenanes.","Nature chemistry","2010","2","10","870","879","10.1038/nchem.749","","","0.71069","MoKα","","0.1467","0.0785","","","0.1988","0.2861","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508101","27.049","0.002","16.3551","0.0018","29.944","0.003","90","","92.265","0.003","90","","13237","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C121 H135.5 F24 N6.5 O20 P4 S8 -","- C121 H135.5 F24 N6.5 O20 P4 S8 -","- C484 H542 F96 N26 O80 P16 S32 -","4","1","","Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser","Highly stable tetrathiafulvalene radical dimers in [3]catenanes.","Nature chemistry","2010","2","10","870","879","10.1038/nchem.749","","","1.54178","CuKα","","0.1482","0.1263","","","0.349","0.373","","","","","","1.139","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508102","11.144","0.004","14.355","0.005","19.592","0.008","86.784","0.013","87.155","0.015","75.382","0.013","3026","2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H117 F24 N7 O16 P4 S8 -","- C106 H117 F24 N7 O16 P4 S8 -","- C106 H117 F24 N7 O16 P4 S8 -","1","0.5","","Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser","Highly stable tetrathiafulvalene radical dimers in [3]catenanes.","Nature chemistry","2010","2","10","870","879","10.1038/nchem.749","","","0.71073","MoKα","","0.2382","0.1986","","","0.4989","0.5256","","","","","","1.804","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508103","13.4168","0.001","37.385","0.003","27.8719","0.0017","90","","90","","90","","13980.2","1.8","100","2","100","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C100 H108 Cl F24 N4 O20 P4 S8 -","- C100 H108 Cl F24 N4 O20 P4 S8 -","- C400 H432 Cl4 F96 N16 O80 P16 S32 -","4","0.5","","Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser","Highly stable tetrathiafulvalene radical dimers in [3]catenanes.","Nature chemistry","2010","2","10","870","879","10.1038/nchem.749","","","1.54178","CuKα","","0.1179","0.0888","","","0.2463","0.2673","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508104","14.1826","0.0005","21.4251","0.0008","22.9043","0.0008","95.326","0.003","95.544","0.002","92.596","0.002","6887","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C109 H133 Cl4 F12 N9 O43 P2 S8 -","- C109 H133 Cl4 F12 N9 O43 P2 S8 -","- C218 H266 Cl8 F24 N18 O86 P4 S16 -","2","1","","Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser","Highly stable tetrathiafulvalene radical dimers in [3]catenanes.","Nature chemistry","2010","2","10","870","879","10.1038/nchem.749","","","1.54178","CuKα","","0.1565","0.0944","","","0.2552","0.2929","","","","","","0.968","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508105","35.768","0.007","10.242","0.002","18.497","0.004","90","","96.92","0.03","90","","6727","2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Al I2 N3 -","- C31 H48 Al I2 N3 -","- C248 H384 Al8 I16 N24 -","8","2","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.0777","0.0414","","","0.0935","0.1089","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508106","10.045","0.002","20.189","0.004","15.403","0.003","90","","97.87","0.03","90","","3094.3","1.1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H96 Al2 I2 N6 -","- C62 H96 Al2 I2 N6 -","- C124 H192 Al4 I4 N12 -","2","0.5","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.0731","0.0399","","","0.0835","0.096","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508107","11.992","0.002","13.192","0.003","15.969","0.003","111.76","0.03","93.91","0.03","114.89","0.03","2051.6","1.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H120 Al2 I2 N6 -","- C86 H120 Al2 I2 N6 -","- C86 H120 Al2 I2 N6 -","1","0.5","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.052","0.038","","","0.0924","0.0999","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508108","13.475","0.003","8.2292","0.0016","19.771","0.004","90","","101.7","0.03","90","","2146.8","0.8","123","2","123","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H60 Mg2 N4 -","- C46 H60 Mg2 N4 -","- C92 H120 Mg4 N8 -","2","0.5","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.0671","0.0444","","","0.1129","0.1252","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508109","13.3869","0.0003","12.1848","0.0002","15.7738","0.0002","90","","97.262","0.001","90","","2552.33","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 Al2 N4 -","- C54 H76 Al2 N4 -","- C108 H152 Al4 N8 -","2","0.5","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.0721","0.049","","","0.1132","0.125","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508110","12.145","0.002","28.154","0.006","13.801","0.003","90","","99.86","0.03","90","","4649.3","1.7","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 Mg2 N4 O Si -","- C48 H66 Mg2 N4 O Si -","- C192 H264 Mg8 N16 O4 Si4 -","4","1","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.1689","0.0652","","","0.124","0.1558","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508111","19.074","0.004","21.504","0.004","14.858","0.003","90","","90","","90","","6094","2","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C31 H50 Al N3 -","- C31 H50 Al N3 -","- C248 H400 Al8 N24 -","8","1","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.0939","0.0588","","","0.1294","0.1467","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508112","10.606","0.0007","11.9107","0.0007","15.3949","0.001","71.643","0.002","77.501","0.002","67.68","0.002","1697.09","0.19","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H112 Al2 N4 -","- C70 H112 Al2 N4 -","- C70 H112 Al2 N4 -","1","0.5","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.087","0.0583","","","0.1402","0.1566","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508113","19.2949","0.0012","19.4205","0.0013","19.6592","0.0015","82.645","0.003","67.092","0.003","79.72","0.003","6662.8","0.8","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H93 Al2 N4 -","- C73 H93 Al2 N4 -","- C292 H372 Al8 N16 -","4","2","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.1515","0.0946","","","0.2241","0.2685","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508114","12.7841","0.0003","14.7611","0.0003","17.1527","0.0004","90","","91.847","0.001","90","","3235.16","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H100 Al2 N4 -","- C70 H100 Al2 N4 -","- C140 H200 Al4 N8 -","2","0.5","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.0564","0.0532","","","0.1224","0.1247","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508115","11.729","0.002","15.039","0.003","17.886","0.004","90","","104.89","0.03","90","","3049","1.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H98 Al2 N6 -","- C62 H98 Al2 N6 -","- C124 H196 Al4 N12 -","2","0.5","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.0835","0.0547","","","0.1356","0.1515","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508117","11.98","0.006","6.098","0.003","23.525","0.01","90","","93.43","0.04","90","","1715.5","1.4","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br O2 -","- C20 H19 Br O2 -","- C80 H76 Br4 O8 -","4","1","","Ito, Hajime; Kunii, Shun; Sawamura, Masaya","Direct enantio-convergent transformation of racemic substrates without racemization or symmetrization.","Nature chemistry","2010","2","11","972","976","10.1038/nchem.801","","","0.71075","MoKα","","","0.0436","","","","0.1055","","","","","","0.835","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508119","24.3386","0.0018","24.4267","0.0018","25.442","0.003","112.19","0.001","115.547","0.001","98.071","0.001","11774","1.9","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C192 H96 Cu24 O120 -","- C192 H96 Cu24 O120 -","- C192 H96 Cu24 O120 -","1","0.5","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1092","0.0638","","","0.1315","0.1389","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508120","6.5901","0.0011","10.8797","0.0019","12.487","0.002","93.149","0.002","103.646","0.002","94.092","0.002","865.4","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cu2 N4 O18 -","- C32 H26 Cu2 N4 O18 -","- C32 H26 Cu2 N4 O18 -","1","0.5","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.0724","0.049","","","0.0936","0.1019","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508121","29.296","0.009","29.296","0.009","41.22","0.02","90","","90","","90","","35377","2","110","2","110","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C288 H288 Cu24 O120 -","- C288 H288 Cu24 O120 -","- C576 H576 Cu48 O240 -","2","0.0625","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1724","0.0769","","","0.1518","0.1686","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508122","25.8693","0.001","25.8693","0.001","39.125","0.003","90","","90","","90","","26183","2","110","2","110","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C192 H96 Cu24 O144 -","- C192 H96 Cu24 O144 -","- C384 H192 Cu48 O288 -","2","0.125","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.0645","0.0445","","","0.1107","0.1162","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508123","29.044","0.007","29.044","0.007","41.72","0.02","90","","90","","90","","35193","2","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C192 H72 Cu24 O192 S24 -","- C192 H72 Cu24 O192 S24 -","- C384 H144 Cu48 O384 S48 -","2","0.125","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1378","0.0733","","","0.1397","0.1518","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508124","26.687","0.017","26.714","0.017","28.012","0.018","67.565","0.008","69.257","0.008","76.221","0.009","17139","19","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C168 H120 Cu12 O60 -","- C168 H120 Cu12 O60 -","- C336 H240 Cu24 O120 -","2","1","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1791","0.0712","","","0.1306","0.1409","","","","","","0.911","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508125","28.083","0.003","59.645","0.006","82.288","0.008","90","","90","","90","","137833","2","110","2","110","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C288 H216 Cu24 O120 -","- C288 H216 Cu24 O120 -","- C2304 H1728 Cu192 O960 -","8","0.25","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1654","0.0744","","","0.158","0.1729","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508126","35.49","0.03","32.46","0.02","35.61","0.03","90","","92.42","0.01","90","","40986","6","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C192 H98 Cu24 O128 -","- C192 H98 Cu24 O128 -","- C768 H392 Cu96 O512 -","4","0.5","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1095","0.0648","","","0.1527","0.1644","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508127","18.0347","0.0012","31.135","0.002","27.1691","0.0018","90","","105.587","0.001","90","","14694.7","1.7","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H76 Cu4 N4 O20 -","- C108 H76 Cu4 N4 O20 -","- C432 H304 Cu16 N16 O80 -","4","1","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1357","0.0979","","","0.2051","0.217","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508128","20.014","0.006","20.977","0.007","22.605","0.007","117.518","0.004","92.93","0.004","110.47","0.004","7622","4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H84 Cu12 N12 O60 -","- C168 H84 Cu12 N12 O60 -","- C168 H84 Cu12 N12 O60 -","1","0.5","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1527","0.0686","","","0.1221","0.135","","","","","","0.861","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508129","10.5799","0.001","10.7732","0.001","19.6616","0.0018","84.7319","0.0014","75.3405","0.0014","87.4321","0.0014","2158.4","0.3","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C98 H126 -","- C98 H126 -","- C98 H126 -","1","0.5","","Chalifoux, Wesley A.; Tykwinski, Rik R.","Synthesis of polyynes to model the sp-carbon allotrope carbyne.","Nature chemistry","2010","2","11","967","971","10.1038/nchem.828","","","0.71073","MoKα","","0.1082","0.0538","","","0.1268","0.1535","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508130","10.2575","0.0007","14.6634","0.0011","21.9595","0.0016","76.52","0.001","89.555","0.001","86.272","0.001","3205","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H98 Si -","- C64 H84 Si -","- C128 H168 Si2 -","2","1","","Chalifoux, Wesley A.; Tykwinski, Rik R.","Synthesis of polyynes to model the sp-carbon allotrope carbyne.","Nature chemistry","2010","2","11","967","971","10.1038/nchem.828","","","0.71073","MoKα","","0.107","0.0635","","","0.1675","0.1884","","","","","","1.009","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508131","59.872","0.002","59.872","0.002","59.872","0.002","90","","90","","90","","214621","12","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C480 H192 Cu24 O120 -","- C480 H192 Cu24 O120 -","- C1920 H768 Cu96 O480 -","4","0.0208333","","Farha, Omar K.; Yazaydın, A Özgür; Eryazici, Ibrahim; Malliakas, Christos D.; Hauser, Brad G.; Kanatzidis, Mercouri G.; Nguyen, SonBinh T; Snurr, Randall Q.; Hupp, Joseph T.","De novo synthesis of a metal-organic framework material featuring ultrahigh surface area and gas storage capacities.","Nature chemistry","2010","2","11","944","948","10.1038/nchem.834","","","0.71073","MoKα","","0.2518","0.138","","","0.2132","0.2692","","","","","","1.244","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508132","15.3549","0.0018","12.2755","0.0014","17.3029","0.0014","90","","123.819","0.007","90","","2709.6","0.5","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","","","- C34 H33 B Te -","- C34 H33 B Te -","- C136 H132 B4 Te4 -","4","1","","Zhao, Haiyan; Gabbaï, François P","A bidentate Lewis acid with a telluronium ion as an anion-binding site.","Nature chemistry","2010","2","11","984","990","10.1038/nchem.838","","","0.71073","MoKα","","0.0281","0.0257","","","0.0693","0.0703","","","","","","1.059","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508133","9.0099","0.0009","24.019","0.002","13.208","0.0012","90","","93.774","0.001","90","","2852.1","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","","","- C35 H36 B F Te -","- C35 H36 B F Te -","- C140 H144 B4 F4 Te4 -","4","1","","Zhao, Haiyan; Gabbaï, François P","A bidentate Lewis acid with a telluronium ion as an anion-binding site.","Nature chemistry","2010","2","11","984","990","10.1038/nchem.838","","","0.71073","MoKα","","0.051","0.0345","","","0.0788","0.0835","","","","","","0.93","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508134","8.4011","0.0016","18.828","0.004","21.449","0.004","90","","97.903","0.002","90","","3360.5","1.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","none","","","- C36 H36 B F3 O3 S Te -","- C36 H36 B F3 O3 S Te -","- C144 H144 B4 F12 O12 S4 Te4 -","4","1","","Zhao, Haiyan; Gabbaï, François P","A bidentate Lewis acid with a telluronium ion as an anion-binding site.","Nature chemistry","2010","2","11","984","990","10.1038/nchem.838","","","0.71073","MoKα","","0.0879","0.0588","","","0.1637","0.1766","","","","","","1.077","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508136","15.337","0.002","12.0381","0.0016","15.458","0.002","90","","111.115","0.001","90","","2662.4","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","","","- C34 H33 B S -","- C34 H33 B S -","- C136 H132 B4 S4 -","4","1","","Zhao, Haiyan; Gabbaï, François P","A bidentate Lewis acid with a telluronium ion as an anion-binding site.","Nature chemistry","2010","2","11","984","990","10.1038/nchem.838","","","0.71073","MoKα","","0.0762","0.0669","","","0.1789","0.1919","","","","","","1.104","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508138","10.757","0.002","8.8417","0.0019","30.186","0.006","90","","94.8","0.003","90","","2860.9","1","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","","","- C35 H36 B F S -","- C35 H36 B F S -","- C140 H144 B4 F4 S4 -","4","1","","Zhao, Haiyan; Gabbaï, François P","A bidentate Lewis acid with a telluronium ion as an anion-binding site.","Nature chemistry","2010","2","11","984","990","10.1038/nchem.838","","","0.71073","MoKα","","0.0574","0.0448","","","0.1378","0.1484","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508139","8.632","0.005","10.482","0.006","18.755","0.01","90.939","0.007","102.507","0.006","100.441","0.006","1626.5","1.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","None","","","- C36 H36 B F3 O3 S2 -","- C36 H36 B F3 O3 S2 -","- C72 H72 B2 F6 O6 S4 -","2","1","","Zhao, Haiyan; Gabbaï, François P","A bidentate Lewis acid with a telluronium ion as an anion-binding site.","Nature chemistry","2010","2","11","984","990","10.1038/nchem.838","","","0.71073","MoKα","","0.091","0.0582","","","0.1386","0.1502","","","","","","0.907","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508140","10.2338","0.0007","6.605","0.0005","11.9985","0.0008","90","","94.388","0.004","90","","808.65","0.1","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C34 H50 N2 O4 -","2","1","","Denmark, Scott E.; Wilson, Tyler W.","N-silyl oxyketene imines are underused yet highly versatile reagents for catalytic asymmetric synthesis.","Nature chemistry","2010","2","11","937","943","10.1038/nchem.857","","","1.54178","CuKα","","0.0266","0.0263","","","0.0656","0.0658","","","","","","1.083","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508141","19.59","0.004","22.495","0.005","20.59","0.004","90","","105.26","0.03","90","","8754","3","163","2","163","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","ndsw114xs","nds114xs","","- C72 H82 Au2 Cl2 O4 P2 -","- C72 H82 Au2 Cl2 O4 P2 -","- C288 H328 Au8 Cl8 O16 P8 -","4","0.5","","de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander","A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts.","Nature chemistry","2010","2","12","1062","1068","10.1038/nchem.860","","","0.71073","MoKα","","0.039","0.0281","","","0.0715","0.0739","","","","","","1.061","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1508142","14.6239","0.001","25.8803","0.0018","21.5065","0.0015","90","","108.762","0.001","90","","7707.1","0.9","136","2","136","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ns173a","ns173a","","- C76 H90 Au2 Cl2 O4 P2 -","- C76 H90 Au2 Cl2 O4 P2 -","- C304 H360 Au8 Cl8 O16 P8 -","4","1","","de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander","A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts.","Nature chemistry","2010","2","12","1062","1068","10.1038/nchem.860","","","0.71073","MoKα","","0.0788","0.0487","","","0.088","0.0971","","","","","","0.934","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1508143","19.695","0.01","14.974","0.007","20.876","0.01","90","","96.29","0.006","90","","6120","5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","150-a","katz01","","- C66 H85 Au Cl O4 P -","- C66 H85 Au Cl O4 P -","- C264 H340 Au4 Cl4 O16 P4 -","4","1","","de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander","A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts.","Nature chemistry","2010","2","12","1062","1068","10.1038/nchem.860","","","0.71073","MoKα","","0.1014","0.049","","","0.0991","0.1181","","","","","","1.021","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1508144","13.9923","0.0005","15.1673","0.0005","17.3281","0.0006","83.207","0.001","81.568","0.001","63.915","0.001","3261.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H90 O4 P2 -","- C76 H90 O4 P2 -","- C152 H180 O8 P4 -","2","1","","de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander","A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts.","Nature chemistry","2010","2","12","1062","1068","10.1038/nchem.860","","","1.54178","CuKα","","0.0703","0.0582","","","0.1637","0.1716","","","","","","1.541","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508145","14.6299","0.0007","22.0132","0.0009","17.1801","0.0012","90","","90.557","0.004","90","","5532.6","0.5","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","OP8Br","","","- C64 H64 Br2 O16 -","- C64 H64 Br2 O16 -","- C256 H256 Br8 O64 -","4","1","","Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo","Redox-responsive molecular helices with highly condensed π-clouds.","Nature chemistry","2011","3","1","68","73","10.1038/nchem.900","","","0.71073","MoKα","","0.0483","0.0427","","","0.1167","0.1226","","","","","","1.06","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508146","26.465","0.0005","13.3084","0.0002","20.9193","0.0004","90","","116.126","0.0007","90","","6615.1","0.2","200","","200","","","","","","","","","4","C 1 2 1","C 2y","5","OP8NO2","","","- C71 H74.5 N5.5 O20 -","- C71 H74.5 N5.5 O20 -","- C284 H298 N22 O80 -","4","1","","Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo","Redox-responsive molecular helices with highly condensed π-clouds.","Nature chemistry","2011","3","1","68","73","10.1038/nchem.900","","","1.54187","CuKα","","0.0653","0.0486","","","0.124","0.1424","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508147","12.6264","0.0001","22.3733","0.0002","25.1262","0.0003","90","","102.392","0.0005","90","","6932.65","0.12","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","OP8NO2+[SbF6-]","","","- C69 H71.5 F6 N4.5 O20 Sb -","- C69 H71.5 F6 N4.5 O20 Sb -","- C276 H286 F24 N18 O80 Sb4 -","4","1","","Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo","Redox-responsive molecular helices with highly condensed π-clouds.","Nature chemistry","2011","3","1","68","73","10.1038/nchem.900","","","0.71073","MoKα","","0.0986","0.061","","","0.1592","0.178","","","","","","1.032","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508148","12.9187","0.0006","16.9057","0.0007","17.0274","0.0007","107.186","0.003","96.271","0.003","106.235","0.003","3335.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H97 Li N8 O9 U -","- C70 H97 Li N8 O9 U -","- C140 H194 Li2 N16 O18 U2 -","2","1","","Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B.","Uranyl oxo activation and functionalization by metal cation coordination.","Nature chemistry","2010","2","12","1056","1061","10.1038/nchem.904","","","0.71073","MoKα","","0.0628","0.0494","","","0.1119","0.1179","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508149","14.0928","0.0003","24.2786","0.0003","22.7601","0.0004","90","","90.769","0.001","90","","7786.7","0.2","100","","100","","","","","","","","A. Pecharman, reaction afp206","6","C 1 c 1","C -2yc","9","","","","- C87 H86 Li2 N17 O2 U -","- C87 H86 Li2 N17 O2 U -","- C348 H344 Li8 N68 O8 U4 -","4","1","","Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B.","Uranyl oxo activation and functionalization by metal cation coordination.","Nature chemistry","2010","2","12","1056","1061","10.1038/nchem.904","","","1.54184","CuKα","","0.0361","0.0327","","","0.0819","0.0836","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1508150","15.0681","0.0004","15.9581","0.0004","19.1549","0.0005","94.953","0.001","90.628","0.001","114.436","0.001","4172.18","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H90 Li3 N18 O2 U -","- C92 H90 Li3 N18 O2 U -","- C184 H180 Li6 N36 O4 U2 -","2","1","","Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B.","Uranyl oxo activation and functionalization by metal cation coordination.","Nature chemistry","2010","2","12","1056","1061","10.1038/nchem.904","","","0.71073","MoKα","","0.0552","0.0442","","","0.0853","0.0888","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508151","12.2088","0.0003","16.2176","0.0005","20.9697","0.0006","75.391","0.002","86.593","0.002","80.083","0.002","3957.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H114 Li4 N9 O9 Si2 U -","- C76 H114 Li4 N9 O9 Si2 U -","- C152 H228 Li8 N18 O18 Si4 U2 -","2","1","","Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B.","Uranyl oxo activation and functionalization by metal cation coordination.","Nature chemistry","2010","2","12","1056","1061","10.1038/nchem.904","","","0.71073","MoKα","","0.0396","0.0349","","","","0.0887","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508152","28.6387","0.0012","14.9963","0.0008","19.6011","0.0007","90","","125.48","0.001","90","","6855.1","0.5","173.1","","173.1","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23.75 H44.5 Cl4.5 Mo N P2 -","- C23.7525 H43 Cl4.505 Mo N P2 -","- C190.02 H344 Cl36.04 Mo8 N8 P16 -","8","2","","Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.","Nature chemistry","2011","3","2","120","125","10.1038/nchem.906","","","0.71075","MoKα","","","0.0407","","","","0.095","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508153","36.3354","0.0007","36.3354","0.0007","24.3428","0.0004","90","","90","","120","","27833.1","0.9","173.1","","173.1","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C52 H100 Mo2 N12 P4 -","- C52 H86 Mo2 N12 P4 -","- C936 H1548 Mo36 N216 P72 -","18","0.5","","Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.","Nature chemistry","2011","3","2","120","125","10.1038/nchem.906","","","0.71075","MoKα","","","0.0366","","","","0.0933","","","","","","1.01","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508154","36.1127","0.0007","36.1127","0.0007","24.6029","0.0005","90","","90","","120","","27786.7","0.9","173.1","","173.1","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C56 H100 Mo2 N4 O4 P4 -","- C56 H100 Mo2 N4 O4 P4 -","- C1008 H1800 Mo36 N72 O72 P72 -","18","0.5","","Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.","Nature chemistry","2011","3","2","120","125","10.1038/nchem.906","","","0.71075","MoKα","","","0.0368","","","","0.1039","","","","","","1.016","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508155","34.4412","0.0013","11.1522","0.0003","20.6925","0.0007","90","","111.63","0.0011","90","","7388.2","0.4","173.1","","173.1","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H53 B F5 Mo N4 P2 -","- C31 H50 B F5 Mo N4 P2 -","- C248 H400 B8 F40 Mo8 N32 P16 -","8","1","","Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.","Nature chemistry","2011","3","2","120","125","10.1038/nchem.906","","","0.71075","MoKα","","","0.0434","","","","0.1067","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508157","9.5083","0.0008","9.6863","0.0008","10.9481","0.0009","68.563","0.001","85.847","0.001","84.917","0.001","934","0.13","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","2,5-dihexyloxy-4-bromobenzaldehyde","","- C19 H29 Br O3 -","- C19 H29 Br O3 -","- C38 H58 Br2 O6 -","2","1","","Bolton, Onas; Lee, Kangwon; Kim, Hyong-Jun; Lin, Kevin Y.; Kim, Jinsang","Activating efficient phosphorescence from purely organic materials by crystal design.","Nature chemistry","2011","3","3","205","210","10.1038/nchem.984","","","0.71073","MoKα","","0.0241","0.0225","","","0.0606","0.0615","","","","","","1.101","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508159","6.8032","0.001","8.117","0.003","9.659","0.003","108.27","0.03","106.91","0.03","96.94","0.02","471.2","0.3","108","2","108","2","","","","","","","","4","P -1","-P 1","2","","2,5-dihexyloxy-1,4-dibromobenzene","","- C18 H28 Br2 O2 -","- C18 H28 Br2 O2 -","- C18 H28 Br2 O2 -","1","0.5","","Bolton, Onas; Lee, Kangwon; Kim, Hyong-Jun; Lin, Kevin Y.; Kim, Jinsang","Activating efficient phosphorescence from purely organic materials by crystal design.","Nature chemistry","2011","3","3","205","210","10.1038/nchem.984","","","0.71073","MoKα","","0.0213","0.019","","","0.0497","0.0506","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508163","23.444","0.005","36.333","0.007","29.094","0.007","90","","105.335","0.005","90","","23900","9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C168 H176 Cl F49 Fe5 N32 O18.5 P8 -","- C169.5 H176 Cl F48 Fe5 N32 O15 P8 -","- C678 H704 Cl4 F192 Fe20 N128 O60 P32 -","4","1","","Ayme, Jean-François; Beves, Jonathon E.; Leigh, David A.; McBurney, Roy T.; Rissanen, Kari; Schultz, David","A synthetic molecular pentafoil knot.","Nature chemistry","2012","4","1","15","20","10.1038/nchem.1193","","","0.6889","synchrotron","","0.2497","0.1382","","","0.35","0.4217","","","","","","1.022","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508164","9.8261","0.0002","11.6102","0.0002","14.6754","0.0003","90","","90","","90","","1674.21","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O -","- C20 H30 O -","- C80 H120 O4 -","4","1","","Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S.","Scalable enantioselective total synthesis of taxanes.","Nature chemistry","2012","4","1","21","25","10.1038/nchem.1196","","","1.54178","CuKα","","0.0438","0.0427","","","0.1119","0.1127","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508165","7.7453","0.0004","10.3009","0.0006","9.7366","0.0005","90","","94.175","0.002","90","","774.76","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C38 H56 O4 -","2","1","","Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S.","Scalable enantioselective total synthesis of taxanes.","Nature chemistry","2012","4","1","21","25","10.1038/nchem.1196","","","1.54178","CuKα","","0.0422","0.0421","","","0.1018","0.1018","","","","","","1.162","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508166","28.2551","0.0005","19.2999","0.0004","21.1845","0.0004","90","","97.2296","0.0007","90","","11460.5","0.4","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H76 B2 F48 O4 Pd4 -","- C120 H76 B2 F48 O4 Pd4 -","- C480 H304 B8 F192 O16 Pd16 -","4","0.5","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.039","","","","0.0623","","","","","","0.906","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508167","15.3692","0.0012","24.9813","0.0017","18.5227","0.0011","90","","93.871","0.003","90","","7095.4","0.8","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Cl8 F24 O4 P4 Pd4 -","- C60 H52 Cl8 F24 O4 P4 Pd4 -","- C240 H208 Cl32 F96 O16 P16 Pd16 -","4","0.5","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.0533","","","","0.0627","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508168","26.6501","0.0011","11.2467","0.0004","21.7172","0.0008","90","","104.023","0.0011","90","","6315.2","0.4","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H61 B4 F16 N3 O6 Pd4 -","- C63 H58 B4 F16 N3 O6 Pd4 -","- C252 H232 B16 F64 N12 O24 Pd16 -","4","0.5","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.0364","","","","0.0429","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508169","7.8918","0.0004","24.8188","0.0013","29.1008","0.0016","90","","93.2773","0.0014","90","","5690.5","0.5","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 B2 F8 N2 O4 Pd4 -","- C62 H58 B2 F8 N2 O4 Pd4 -","- C248 H232 B8 F32 N8 O16 Pd16 -","4","1","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.0461","","","","0.0722","","","","","","0.823","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508170","12.4175","0.0018","12.4175","0.0018","66.702","0.013","90","","90","","120","","8907","3","120","2","120","2","","","","","","","","6","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C112.5 H116 Cl4 N14 O25.5 Zn2 -","- C112.5 H102 Cl4 N14 O25.5 Zn2 -","- C337.5 H306 Cl12 N42 O76.5 Zn6 -","3","0.5","","Howson, Suzanne E.; Bolhuis, Albert; Brabec, Viktor; Clarkson, Guy J.; Malina, Jaroslav; Rodger, Alison; Scott, Peter","Optically pure, water-stable metallo-helical 'flexicate' assemblies with antibiotic activity.","Nature chemistry","2012","4","1","31","36","10.1038/nchem.1206","","","0.71073","MoKα","","0.1128","0.0828","","","0.2166","0.2495","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1508171","10.305","0.002","11.201","0.003","11.779","0.003","63.547","0.004","65.449","0.004","66.927","0.004","1070.9","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 F3 N O3 -","- C22 H26 F3 N O3 -","- C44 H52 F6 N2 O6 -","2","1","","Montavon, Timothy J.; Li, Jing; Cabrera-Pardo, Jaime R; Mrksich, Milan; Kozmin, Sergey A.","Three-component reaction discovery enabled by mass spectrometry of self-assembled monolayers.","Nature chemistry","2012","4","1","45","51","10.1038/nchem.1212","","","0.71073","MoKα","","0.0981","0.0586","","","0.1402","0.1594","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508172","22.205","0.003","22.205","0.0017","12.509","0.0011","90","0.002","90","0.002","120","0.005","5341.4","1","173","2","173","2","","","","","","","MAT ETH Zurich","3","P -3","-P 3","147","","","","- C146 H118 O11 -","- C146.001 H78 O10.986 -","- C292.002 H156 O21.972 -","2","0.333333","","Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji","A two-dimensional polymer prepared by organic synthesis.","Nature chemistry","2012","4","4","287","291","10.1038/nchem.1265","","","0.71073","MoKα","","0.1466","0.1362","","","0.3889","0.3989","","","","","","3.137","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508173","12.5392","0.0004","21.844","0.0005","22.5292","0.0006","61.234","0.002","88.2978","0.0012","89.8086","0.0014","5406.5","0.3","100","","100","","","","","","","","MAT ETH Zurich","4","P -1","-P 1","2","","","","- C144 H110 Cl2 O6 -","- C144 H110 Cl2 O6 -","- C288 H220 Cl4 O12 -","2","1","","Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji","A two-dimensional polymer prepared by organic synthesis.","Nature chemistry","2012","4","4","287","291","10.1038/nchem.1265","","","0.71073","MoKα","","0.185","0.0949","","","0.2042","0.2533","","","","","","1.11","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508174","7.995","0.005","12.695","0.005","14.1","0.005","90","0.005","103.65","0.005","90","0.005","1390.7","1.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","6MesDACCF3Styrene","","","- C33 H35 F3 N2 O2 -","- C33 H35 F3 N2 O2 -","- C66 H70 F6 N4 O4 -","2","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71069","MoKα","","0.0961","0.0605","","","0.1422","0.1762","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508175","16.103","0.0007","10.495","0.0005","17.623","0.0007","90","","101.349","0.003","90","","2920.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6MesDACDiethylMaleate","","","- C32 H40 N2 O6 -","- C32 H40 N2 O6 -","- C128 H160 N8 O24 -","4","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.1588","0.0617","","","0.1246","0.1683","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508176","10.823","0.0002","16.686","0.0003","34.964","0.0005","90","","94.576","0.0007","90","","6294.11","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6MesDACStilbene","","","- C38 H40 N2 O2 -","- C38 H40 N2 O2 -","- C304 H320 N16 O16 -","8","2","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.1126","0.0577","","","0.1308","0.168","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508177","15.343","0.0002","10.755","0.0002","15.6115","0.0003","90","","101.147","0.001","90","","2527.52","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6MesDACMaleonitrile","","","- C28 H30 N4 O2 -","- C28 H30 N4 O2 -","- C112 H120 N16 O8 -","4","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.0982","0.0561","","","0.1159","0.1402","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508178","12.279","0.0002","12.381","0.0001","18.148","0.0002","76.148","0.0008","82.469","0.0007","76.342","0.0007","2594.85","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","6MesDACNorbornene","","","- C31 H38 N2 O2 -","- C31 H38 N2 O2 -","- C124 H152 N8 O8 -","4","2","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.1189","0.0702","","","0.1511","0.1926","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508179","8.1786","0.0009","10.2957","0.0011","14.8635","0.0016","85.453","0.002","81.396","0.002","80.662","0.002","1219.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","DACMethylvinylketone","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C56 H68 N4 O6 -","2","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71075","MoKα","","0.0759","0.0528","","","0.1294","0.146","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508181","15.9318","0.0006","14.2492","0.0005","24.1259","0.0009","90","","93.8","0.001","90","","5464.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6MesDACNO2Benzaldehyde","","","- C31 H33 N3 O5 -","- C31 H33 N3 O5 -","- C248 H264 N24 O40 -","8","2","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71075","MoKα","","0.0835","0.0544","","","0.1244","0.1415","","","","","","1.009","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508183","15.3164","0.0002","15.3164","0.0002","11.091","0.0003","90","","90","","90","","2601.86","0.09","171","2","171","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C42 H54 N4 O2 Si4 U -","- C42 H54 N4 O2 Si4 U -","- C84 H108 N8 O4 Si8 U2 -","2","0.25","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","0.71073","MoKα","","0.0337","0.0229","","","0.0614","0.0661","","","","","","1.185","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508184","16.2362","0.0015","18.1288","0.0015","26.4879","0.0019","90","","101.144","0.009","90","","7649.5","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H82 N8 O4 Si2 U2 -","- C69 H82 N8 O4 Si2 U2 -","- C276 H328 N32 O16 Si8 U8 -","4","1","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","0.7107","MoKα","","0.0631","0.0453","","","0.1136","0.1285","","","","","","0.784","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508185","15.465","0.0003","24.4171","0.0006","20.7529","0.0005","90","","101.073","0.002","90","","7690.6","0.3","171","2","171","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H83 N8 O4 Si2 U2 -","- C79 H83 N8 O4 Si2 U2 -","- C316 H332 N32 O16 Si8 U8 -","4","1","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","0.71073","MoKα","","0.0914","0.0493","","","0.1049","0.1275","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508186","14.1406","0.0006","14.7186","0.0008","18.347","0.0011","86.724","0.005","77.931","0.004","77.425","0.004","3644.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H90 N8 O12 Si U3 -","- C65 H90 N8 O12 Si U3 -","- C130 H180 N16 O24 Si2 U6 -","2","1","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","1.5418","CuKα","","0.0625","0.0439","","","0.0958","0.1049","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508187","39.346","0.005","39.346","0.005","39.346","0.005","90","","90","","90","","60912","13","300","2","300","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C528 H408 F144 N72 O24 P24 Pd12 -","- C528 H408 F144 N72 O24 P24 Pd12 -","- C1056 H816 F288 N144 O48 P48 Pd24 -","2","0.0208333","","Sun, Qing-Fu; Sato, Sota; Fujita, Makoto","An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core","Nature Chemistry","2012","4","4","330","333","10.1038/nchem.1285","","","0.7","synchrotron","","0.1211","0.1194","","","0.3694","0.3715","","","","","","1.822","","","","has coordinates","218751","2020-10-21","18:00:00",""
"1508188","53.334","0.006","53.334","0.006","53.334","0.006","90","","90","","90","","151709","3","293","2","293","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C552 H408 N90 O92 Pd18 -","- C552 H408 N90 O92 Pd18 -","- C2208 H1632 N360 O368 Pd72 -","4","0.0416667","","Sun, Qing-Fu; Sato, Sota; Fujita, Makoto","An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core","Nature Chemistry","2012","4","4","330","333","10.1038/nchem.1285","","","1","synchrotron","","0.0994","0.0882","","","0.2761","0.2887","","","","","","1.192","","","","has coordinates","218751","2020-10-21","18:00:00",""
"1508189","32.638","0.004","18.597","0.002","16.904","0.002","90","","104.878","0.0016","90","","9916","2","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H90 Ge -","- C56 H90 Ge -","- C448 H720 Ge8 -","8","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0384","0.0339","","","0.0878","0.091","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508190","25.3767","0.0002","10.9823","0.0001","18.0763","0.0002","90","","90.2057","0.0004","90","","5037.73","0.08","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H90 Ge O -","- C56 H90 Ge O -","- C224 H360 Ge4 O4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0525","0.0328","","","0.0902","0.0961","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508191","12.9912","0.0013","18.9629","0.0019","20.688","0.002","90","","102.064","0.0012","90","","4983.9","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H92 Ge O -","- C56 H90 Ge O -","- C224 H360 Ge4 O4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0442","0.0384","","","0.0989","0.1055","","","","","","1.112","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508192","13.71","0.0019","17.896","0.002","21.842","0.003","90","","107.56","0.0016","90","","5109.3","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H94 Ge O -","- C57 H94 Ge O -","- C228 H376 Ge4 O4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0638","0.0528","","","0.1445","0.1558","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508193","13.0454","0.0013","18.9843","0.0019","20.817","0.002","90","","102.151","0.0012","90","","5040","0.9","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H92 Ge O2 -","- C56 H92 Ge O2 -","- C224 H368 Ge4 O8 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0349","0.0313","","","0.0768","0.0792","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508194","38.9676","0.0003","38.9676","0.0003","14.2661","0.0001","90","","90","","90","","21662.7","0.3","90","","90","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C60.25 H99 Ge O2 -","- C60.25 H99 Ge O2 -","- C964 H1584 Ge16 O32 -","16","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0587","0.0376","","","0.0901","0.0999","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508195","14.521","0.002","22.215","0.003","17.36","0.003","90","","97.761","0.002","90","","5548.8","1.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H98 Ge O Si -","- C62 H97 Ge O Si -","- C248 H388 Ge4 O4 Si4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0955","0.0726","","","0.1626","0.177","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508196","10.0743","0.0018","9.9792","0.0017","24.924","0.005","90","","90.988","0.003","90","","2505.3","0.8","100","","100","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C57 H90 Ge O3 -","- C57 H90 Ge O3 -","- C114 H180 Ge2 O6 -","2","0.5","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0287","0.0275","","","0.068","0.0689","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508197","10.736","0.002","13.918","0.003","17.475","0.003","67.825","0.004","89.276","0.004","73.543","0.004","2305.9","0.8","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H50 N O2 P -","- C62 H50 N O2 P -","- C124 H100 N2 O4 P2 -","2","1","","Ohmatsu, Kohsuke; Ito, Mitsunori; Kunieda, Tomoatsu; Ooi, Takashi","Ion-paired chiral ligands for asymmetric palladium catalysis.","Nature chemistry","2012","4","6","473","477","10.1038/nchem.1311","","","0.71073","MoKα","","0.0887","0.0645","","","0.169","0.1896","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508198","34.9972","0.0018","20.861","0.001","18.0161","0.001","90","","108.602","0.003","90","","12466","1.1","150","2","150","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C14 H72 Cl3 Co2 N7 Na4 O75 Se2 W19 -","- C14 Cl Co2 N8 Na3.4 O84.3 Se2 W19 -","- C56 Cl4 Co8 N32 Na13.6 O337.2 Se8 W76 -","4","0.5","","Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy","Integrated 3D-printed reactionware for chemical synthesis and analysis.","Nature chemistry","2012","4","5","349","354","10.1038/nchem.1313","","","0.71073","MoKα","","0.08","0.0368","","","0.0714","0.0779","","","","","","0.866","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508199","36.022","0.003","20.6218","0.0013","17.8132","0.0013","90","","110.322","0.005","90","","12408.7","1.6","150","2","150","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C16 H80 Cl3 Mn2 N8 Na3 O75 Se2 W19 -","- C12 Cl1.5 Mn2 N6 O71.7 Se2 W19 -","- C48 Cl6 Mn8 N24 O286.8 Se8 W76 -","4","0.5","","Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy","Integrated 3D-printed reactionware for chemical synthesis and analysis.","Nature chemistry","2012","4","5","349","354","10.1038/nchem.1313","","","0.71073","MoKα","","0.082","0.0515","","","0.137","0.1713","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508200","9.0792","0.0003","13.8548","0.0004","13.5655","0.0004","90","","101.341","0.003","90","","1673.09","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br N2 O -","- C21 H17 Br N2 O -","- C84 H68 Br4 N8 O4 -","4","1","","Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy","Integrated 3D-printed reactionware for chemical synthesis and analysis.","Nature chemistry","2012","4","5","349","354","10.1038/nchem.1313","","","0.71073","MoKα","","0.0449","0.0316","","","0.0779","0.0834","","","","","","0.962","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1508201","18.9372","0.0019","27.548","0.003","18.7708","0.0018","90","","100.644","0.001","90","","9623.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CB-SO3","CB-SO3","","- C68 H92.24 F21 N16 O46.62 S4 -","- C15.9995 H19.0209 F4.94047 N3.76471 O10.9699 S0.941176 -","- C271.992 H323.356 F83.988 N64 O186.488 S16 -","17","4.25","","Ma, Da; Hettiarachchi, Gaya; Nguyen, Duc; Zhang, Ben; Wittenberg, James B.; Zavalij, Peter Y.; Briken, Volker; Isaacs, Lyle","Acyclic cucurbit[n]uril molecular containers enhance the solubility and bioactivity of poorly soluble pharmaceuticals.","Nature chemistry","2012","4","6","503","510","10.1038/nchem.1326","","","0.71073","MoKα","","0.081","0.0713","","","0.1503","0.1537","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508202","19.457","0.002","23.652","0.002","29.876","0.003","80.705","0.001","87.973","0.001","75.36","0.001","13128","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Na4[TFA@CB].10TFA.12.5H2O","Na4[TFA@CB].10TFA.12.5H2O","","- C42 H52 F16.5 N8 Na2 O29.25 S2 -","- C64 H69 F3 N16 Na3.75 O28.9515 S4 -","- C256 H276 F12 N64 Na15 O115.806 S16 -","4","2","","Ma, Da; Hettiarachchi, Gaya; Nguyen, Duc; Zhang, Ben; Wittenberg, James B.; Zavalij, Peter Y.; Briken, Volker; Isaacs, Lyle","Acyclic cucurbit[n]uril molecular containers enhance the solubility and bioactivity of poorly soluble pharmaceuticals.","Nature chemistry","2012","4","6","503","510","10.1038/nchem.1326","","","0.71073","MoKα","","0.1235","0.108","","","0.2313","0.2375","","","","","","1","","","","has coordinates,has disorder","282761","2023-04-20","06:45:55",""
"1508203","11.4778","0.0002","16.5221","0.0003","27.708","0.0004","90","","90","","90","","5254.47","0.15","100.15","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H62 Au2 Cl2 P2 -","- C60 H62 Au2 Cl2 P2 -","- C240 H248 Au8 Cl8 P8 -","4","1","","Felix, Ryan J.; Weber, Dieter; Gutierrez, Osvaldo; Tantillo, Dean J.; Gagné, Michel R","A gold-catalysed enantioselective Cope rearrangement of achiral 1,5-dienes.","Nature chemistry","2012","4","5","405","409","10.1038/nchem.1327","","","1.54184","CuKα","","0.0252","0.0247","","","0.0621","0.0625","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508204","10.569","0.002","14.846","0.003","15.667","0.003","79.505","0.002","77.528","0.002","72.252","0.002","2268.1","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H65 N O14 -","- C43 H65 N O14 -","- C86 H130 N2 O28 -","2","1","","Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J.","Metal-organic frameworks with dynamic interlocked components.","Nature chemistry","2012","4","6","456","460","10.1038/nchem.1354","","","0.71073","MoKα","","0.1234","0.1","","","0.2881","0.3162","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508205","23.127","0.004","23.127","0.004","19.723","0.003","90","","90","","120","","9136","3","148","2","148","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C35 H55 Cu2 N O19 -","- C35 H47.02 Cu2 N O16 -","- C315 H423.18 Cu18 N9 O144 -","9","0.5","","Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J.","Metal-organic frameworks with dynamic interlocked components.","Nature chemistry","2012","4","6","456","460","10.1038/nchem.1354","","","0.71073","MoKα","","0.2182","0.1994","","","0.5549","0.5617","","","","","","2.363","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508206","15.0826","0.0003","15.0937","0.0003","16.1407","0.0004","62.563","0.001","78.977","0.001","62.693","0.001","2896.79","0.12","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C43 H82 Cl2 F6 Ir2 N4 O6 P4 S2 -","- C43 H82 Cl2 F6 Ir2 N4 O6 P4 S2 -","- C86 H164 Cl4 F12 Ir4 N8 O12 P8 S4 -","2","1","","Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven","Closed-shell and open-shell square-planar iridium nitrido complexes.","Nature chemistry","2012","4","7","552","558","10.1038/nchem.1368","","","0.71073","MoKα","","0.057","0.0358","","","0.0828","0.0929","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508207","11.5257","0.001","13.0336","0.0011","17.1075","0.0014","79.173","0.002","89.524","0.002","68.544","0.002","2344.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H80 Ir2 N4 P4 -","- C40 H80 Ir2 N4 P4 -","- C80 H160 Ir4 N8 P8 -","2","1","","Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven","Closed-shell and open-shell square-planar iridium nitrido complexes.","Nature chemistry","2012","4","7","552","558","10.1038/nchem.1368","","","0.71073","MoKα","","0.036","0.0249","","","0.0501","0.0539","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508208","7.844","0.0006","26.903","0.002","11.8151","0.0009","90","","106.64","0.002","90","","2388.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Ir N3 P2 -","- C20 H40 Ir N3 P2 -","- C80 H160 Ir4 N12 P8 -","4","1","","Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven","Closed-shell and open-shell square-planar iridium nitrido complexes.","Nature chemistry","2012","4","7","552","558","10.1038/nchem.1368","","","0.71073","MoKα","","0.0327","0.028","","","0.0552","0.0566","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508209","8.7118","0.0003","9.6694","0.0003","16.1522","0.0006","91.546","0.002","96.857","0.002","116.772","0.001","1201.07","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H31 B2 Fe N O3 Si2 -","- C19 H31 B2 Fe N O3 Si2 -","- C38 H62 B4 Fe2 N2 O6 Si4 -","2","1","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander","Controlled homocatenation of boron on a transition metal.","Nature chemistry","2012","4","7","563","567","10.1038/nchem.1379","","","0.71073","MoKα","","0.0537","0.0351","","","0.0761","0.0825","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508210","27.394","0.004","9.3733","0.0013","21.725","0.003","90","","126.076","0.004","90","","4508.6","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H62 B4 Fe2 N2 O4 Si4 -","- C36 H62 B4 Fe2 N2 O4 Si4 -","- C144 H248 B16 Fe8 N8 O16 Si16 -","4","0.5","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander","Controlled homocatenation of boron on a transition metal.","Nature chemistry","2012","4","7","563","567","10.1038/nchem.1379","","","0.71073","MoKα","","0.0358","0.0274","","","0.0667","0.0711","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508211","9.1423","0.0005","13.2797","0.0008","18.333","0.0011","81.242","0.002","86.113","0.002","78.661","0.002","2155.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H62 B4 Fe N2 O2 Si4 -","- C34 H62 B4 Fe N2 O2 Si4 -","- C68 H124 B8 Fe2 N4 O4 Si8 -","2","1","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander","Controlled homocatenation of boron on a transition metal.","Nature chemistry","2012","4","7","563","567","10.1038/nchem.1379","","","0.71073","MoKα","","0.0701","0.0575","","","0.1378","0.1421","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508212","6.292","0.004","7.673","0.004","16.424","0.008","98.66","0.04","91.16","0.04","95.71","0.04","779.5","0.8","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C26 H16 -","- C26 H16 -","- C52 H32 -","2","1","","Watanabe, Motonori; Chang, Yuan Jay; Liu, Shun-Wei; Chao, Ting-Han; Goto, Kenta; Islam, Md Minarul; Yuan, Chih-Hsien; Tao, Yu-Tai; Shinmyozu, Teruo; Chow, Tahsin J.","The synthesis, crystal structure and charge-transport properties of hexacene.","Nature chemistry","2012","4","7","574","578","10.1038/nchem.1381","","","1.54187","CuKα","","","0.094","","","","0.1943","","","","","","0.633","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508213","6.306","0.006","7.697","0.01","16.48","0.016","98.77","0.04","91.25","0.03","95.81","0.05","785.9","1.5","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C26 H16 -","- C26 H16 -","- C52 H32 -","2","1","","Watanabe, Motonori; Chang, Yuan Jay; Liu, Shun-Wei; Chao, Ting-Han; Goto, Kenta; Islam, Md Minarul; Yuan, Chih-Hsien; Tao, Yu-Tai; Shinmyozu, Teruo; Chow, Tahsin J.","The synthesis, crystal structure and charge-transport properties of hexacene.","Nature chemistry","2012","4","7","574","578","10.1038/nchem.1381","","","0.71075","MoKα","","","0.1517","","","","0.3608","","","","","","1.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508233","8.2757","0.0011","16.992","0.002","9.7999","0.0013","90","","93.804","0.002","90","","1375","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cl N3 O2 S -","- C11 H16 Cl N3 O2 S -","- C44 H64 Cl4 N12 O8 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.082","0.0571","","","0.1426","0.1609","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508234","5.9123","0.0003","15.7609","0.0007","17.3746","0.0007","90","","90","","90","","1619.02","0.13","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 S -","- C17 H24 O3 S -","- C68 H96 O12 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.0291","0.0283","","","0.0764","0.0775","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508235","8.0945","0.0009","9.5301","0.001","9.8131","0.0011","90","","96.014","0.001","90","","752.83","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C30 H42 N2 O4 S2 -","2","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.0409","0.0391","","","0.101","0.1032","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508236","9.8222","0.001","6.1623","0.0006","17.139","0.0017","90","","100.004","0.002","90","","1021.61","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H32 O3 S -","- C22 H32 O3 S -","- C44 H64 O6 S2 -","2","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.0364","0.0331","","","0.0841","0.0864","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508237","8.724","0.003","11.713","0.004","22.823","0.007","90","","90","","90","","2332.2","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O2 S -","- C27 H35 N O2 S -","- C108 H140 N4 O8 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.1016","0.0715","","","0.1643","0.1882","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508238","7.4983","0.0003","9.7183","0.0003","32.9845","0.0012","90","","90","","90","","2403.6","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O2 S -","- C27 H35 N O2 S -","- C108 H140 N4 O8 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","1.54178","CuKα","","0.0356","0.0353","","","0.0897","0.0901","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508239","14.2651","0.0004","15.6815","0.0005","31.5761","0.001","90","","97.149","0.003","90","","7008.6","0.4","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H109 B O4 U2 -","- C76 H109 B O4 U2 -","- C304 H436 B4 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0571","0.0416","","","0.0675","0.0717","","","","","","1.201","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508240","14.0326","0.0003","15.8676","0.0003","31.7835","0.0005","90","","95.86","0.002","90","","7040","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H113 B O4 U2 -","- C78 H113 B O4 U2 -","- C312 H452 B4 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","1.54178","CuKα","","0.0478","0.0461","","","0.1247","0.1268","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508241","24.882","0.0001","10.719","0.0001","25.2792","0.0001","90","","90","","90","","6742.22","0.07","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C76 H107 B O4 U2 -","- C76 H107 B O4 U2 -","- C304 H428 B4 O16 U8 -","4","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","1.54178","CuKα","","0.0279","0.0265","","","0.0635","0.0646","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508242","14.2409","0.0004","15.9949","0.0004","31.9248","0.0009","90","","97.411","0.003","90","","7211.1","0.3","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H113 B O4 U2 -","- C81 H113 B O4 U2 -","- C324 H452 B4 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.066","0.0389","","","0.0505","0.0556","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508243","25.959","0.002","26.8806","0.0011","23.248","0.002","90","","117.573","0.011","90","","14380","2","171","2","171","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H108 O4 U2 -","- C80 H108 O4 U2 -","- C640 H864 O32 U16 -","8","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0914","0.0386","","","0.0735","0.0957","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508244","10.3378","0.0003","17.6019","0.0005","13.7838","0.0005","90","","107.967","0.004","90","","2385.86","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H78 N4 Si8 U2 -","- C30 H78 N4 Si8 U2 -","- C60 H156 N8 Si16 U4 -","2","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0237","0.019","","","0.0459","0.0497","","","","","","0.718","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508245","9.9492","0.0003","16.7596","0.0004","31.5821","0.001","90","","94.515","0.003","90","","5249.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H84 N2 O2 Si4 U2 -","- C46 H84 N2 O2 Si4 U2 -","- C184 H336 N8 O8 Si16 U8 -","4","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0344","0.0248","","","0.0444","0.0468","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508246","13.9662","0.0005","17.3367","0.0006","26.0453","0.0008","87.379","0.003","78.703","0.003","68.266","0.003","5742","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H92 O4 U2 -","- C63 H92 O4 U2 -","- C252 H368 O16 U8 -","4","2","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","1.54184","CuKα","","0.0735","0.0462","","","0.1039","0.1199","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508247","22.026","0.0005","17.4845","0.0005","28.1385","0.0008","90","","112.026","0.002","90","","10045.6","0.5","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H80 N4 Si8 U2 -","- C31 H80 N4 Si8 U2 -","- C248 H640 N32 Si64 U16 -","8","2","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.1158","0.0601","","","0.0949","0.1156","","","","","","1.16","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508248","25.9066","0.0018","13.8525","0.0006","17.9287","0.0012","90","","108.504","0.007","90","","6101.5","0.7","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H94 O4 U2 -","- C68 H94 O4 U2 -","- C272 H376 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0671","0.0308","","","0.0573","0.0696","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508249","14.8957","0.0001","14.8957","0.0001","12.143","0.0002","90","","90","","90","","2694.31","0.05","170","2","170","2","","","","","","","","5","P 42","P 4c","77","","","","- C36 H82 N4 Si8 U2 -","- C36 H82 N4 Si8 U2 -","- C72 H164 N8 Si16 U4 -","2","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0377","0.0278","","","0.0509","0.0541","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508250","11.8917","0.0003","15.9353","0.0005","26.8697","0.0006","90","","90","","90","","5091.7","0.2","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71 Cr O7 U -","- C52 H71 Cr O7 U -","- C208 H284 Cr4 O28 U4 -","4","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0333","0.0279","","","0.0495","0.0508","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509131","8.4923","0.0003","14.1476","0.0005","12.0094","0.0004","90","","97.677","0.002","90","","1429.94","0.09","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 F6 O P -","- C12 H21 F6 O P -","- C48 H84 F24 O4 P4 -","4","1","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0474","0.0424","","","0.1272","0.1311","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1509132","8.8102","0.001","15.9354","0.0017","14.1905","0.0015","90","","92.221","0.002","90","","1990.8","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 F6 O P -","- C18 H33 F6 O P -","- C72 H132 F24 O4 P4 -","4","1","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0507","0.0468","","","0.135","0.1374","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509133","10.2958","0.0019","10.2958","0.0019","32.34","0.006","90","","90","","120","","2968.9","1","90","2","90","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","1,4,7- tri-iso-propyloxatriquinanium Hexafluorophosphate","","- C18 H33 F6 O P -","- C18 H33 F6 O P -","- C108 H198 F36 O6 P6 -","6","0.333333","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0194","0.0191","","","0.0564","0.0568","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509134","9.4366","0.0003","13.2814","0.0004","14.9075","0.0004","92.8458","0.0004","90.6035","0.0004","96.3976","0.0004","1854.21","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 B11 Cl11 O -","- C22 H40 B11 Cl11 O -","- C44 H80 B22 Cl22 O2 -","2","1","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0226","0.0199","","","0.0526","0.0542","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513339","8.441","0.002","10.983","0.003","13.892","0.004","90.769","0.004","90.334","0.004","94.472","0.004","1283.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","12263b","","","- C33 H28 N2 O4 -","- C33 H28 N2 O4 -","- C66 H56 N4 O8 -","2","1","","Niu, Dawen; Hoye, Thomas R.","The aromatic ene reaction","Nature Chemistry","2013","6","1","34","","10.1038/nchem.1797","","","0.71073","MoKα","","0.1348","0.0607","","","0.1152","0.1469","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513770","23.0127","0.0011","9.31","0.0005","19.0897","0.0009","90","","126.337","0.001","90","","3294.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H17 Au F P -","- C19.5 H17 Au F P -","- C156 H136 Au8 F8 P8 -","8","1","","Wolf, William J.; Winston, Matthew S.; Toste, F. Dean","Exceptionally fast carbon-carbon bond reductive elimination from gold(III).","Nature chemistry","2014","6","2","159","164","10.1038/nchem.1822","","","0.71073","MoKα","","0.0123","0.0122","","","0.0322","0.0322","","","","","","1.213","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513771","8.8394","0.0008","16.1038","0.0014","22.1064","0.0019","90","","100.248","0.004","90","","3096.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Au2 Cl4 N P2 -","- C25 H23 Au2 Cl4 N P2 -","- C100 H92 Au8 Cl16 N4 P8 -","4","1","","Wolf, William J.; Winston, Matthew S.; Toste, F. Dean","Exceptionally fast carbon-carbon bond reductive elimination from gold(III).","Nature chemistry","2014","6","2","159","164","10.1038/nchem.1822","","","0.71073","MoKα","","0.0652","0.0426","","","0.0915","0.0981","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513772","16.1721","0.0008","10.6985","0.0006","18.0543","0.001","90","","98.385","0.002","90","","3090.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 Au2 F2 P2 -","- C37 H30 Au2 F2 P2 -","- C148 H120 Au8 F8 P8 -","4","0.5","","Wolf, William J.; Winston, Matthew S.; Toste, F. Dean","Exceptionally fast carbon-carbon bond reductive elimination from gold(III).","Nature chemistry","2014","6","2","159","164","10.1038/nchem.1822","","","0.71073","MoKα","","0.0124","0.0117","","","0.0283","0.0287","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513773","13.442","0.0003","8.1038","0.0002","20.1572","0.0005","90","","104.261","0.001","90","","2128.08","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 Cl N2 O3 S -","- C22 H31 Cl N2 O3 S -","- C88 H124 Cl4 N8 O12 S4 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0315","0.0276","","","0.0715","0.0735","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513774","20.4107","0.0007","8.6349","0.0003","16.7557","0.0006","90","","90","","90","","2953.1","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C128 H216 N8 O16 -","8","2","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0239","0.0239","","","0.0617","0.0617","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513775","9.7778","0.0006","8.0904","0.0005","18.01","0.0011","90","","94.851","0.002","90","","1419.6","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.1082","0.1081","","","0.2422","0.2422","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513776","7.867","0.0003","9.1892","0.0004","10.2943","0.0004","110.964","0.001","109.591","0.001","90.081","0.001","648.44","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C28 H46 N2 O6 -","2","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0314","0.0313","","","0.0767","0.0768","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513777","7.238","0.004","11.592","0.006","20.28","0.011","90","","90","","90","","1701.6","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O3 -","- C19 H26 N2 O3 -","- C76 H104 N8 O12 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","0.71073","MoKα","","0.0486","0.0446","","","0.1039","0.1055","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513778","9.717","0.005","7.555","0.004","23.041","0.012","90","","99.168","0.008","90","","1669.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br N O3 -","- C18 H20 Br N O3 -","- C72 H80 Br4 N4 O12 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","0.71073","MoKα","","0.0504","0.0393","","","0.0911","0.0981","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513779","15.7732","0.0006","8.3002","0.0003","15.3015","0.0006","90","","111.867","0.002","90","","1859.15","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Br N O4 -","- C20 H26 Br N O4 -","- C80 H104 Br4 N4 O16 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0765","0.0744","","","0.1857","0.1868","","","","","","1.147","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513780","12.5683","0.0004","17.2","0.0006","9.5705","0.0003","90","","91.062","0.001","90","","2068.55","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Br N2 O2 -","- C22 H31 Br N2 O2 -","- C88 H124 Br4 N8 O8 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0239","0.0234","","","0.0597","0.06","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513781","8.1628","0.0003","11.2261","0.0004","18.4027","0.0006","90.626","0.001","100.074","0.001","93.553","0.001","1656.76","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","2","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0345","0.0341","","","0.0842","0.0844","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513782","8.5052","0.0003","15.5856","0.0006","19.9392","0.0008","101.084","0.001","100.283","0.002","90.24","0.001","2550.12","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C120 H162 N6 O12 -","6","3","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0519","0.0502","","","0.159","0.1611","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513783","9.3311","0.0004","10.7524","0.0005","10.8992","0.0006","116.238","0.002","94.799","0.002","96.792","0.002","962.57","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 N3 O5 S -","- C20 H27 N3 O5 S -","- C40 H54 N6 O10 S2 -","2","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.032","0.0303","","","0.0822","0.0834","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513784","8.6602","0.0003","11.241","0.0004","12.9622","0.0005","90","","94.253","0.001","90","","1258.39","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C56 H92 N4 O8 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0333","0.0331","","","0.0788","0.0789","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513785","8.3047","0.0009","7.7059","0.0006","25.706","0.003","90","","98.62","0.005","90","","1626.5","0.3","93","","93","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Mizoguchi, Haruki; Oikawa, Hideaki; Oguri, Hiroki","Biogenetically inspired synthesis and skeletal diversification of indole alkaloids.","Nature chemistry","2014","6","1","57","64","10.1038/nchem.1798","","","0.71075","MoKα","","","0.0399","","","","0.1072","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513786","8.3426","0.0004","8.7981","0.0004","27.0612","0.0012","90","","94.54","0.002","90","","1980.03","0.16","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","","Mizoguchi, Haruki; Oikawa, Hideaki; Oguri, Hiroki","Biogenetically inspired synthesis and skeletal diversification of indole alkaloids.","Nature chemistry","2014","6","1","57","64","10.1038/nchem.1798","","","1.54187","CuKα","","0.1517","0.073","","","0.1833","0.2598","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513787","11.0525","0.0017","27.518","0.004","11.4121","0.0017","90","","94.477","0.003","90","","3460.3","0.9","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N3 O6 S -","- C23 H23 N3 O6 S -","- C138 H138 N18 O36 S6 -","6","3","","Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi","Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.","Nature chemistry","2014","6","1","47","51","10.1038/nchem.1796","","","0.71073","MoKα","","0.039","0.0377","","","0.0993","0.1009","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513788","7.704","0.002","12.588","0.003","26.614","0.007","90","","90","","90","","2581","1.1","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N3 O6 S -","- C28 H25 N3 O6 S -","- C112 H100 N12 O24 S4 -","4","1","","Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi","Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.","Nature chemistry","2014","6","1","47","51","10.1038/nchem.1796","","","0.71073","MoKα","","0.0463","0.0451","","","0.1223","0.1235","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513789","10.901","0.002","11.15","0.002","18.652","0.004","90","","90","","90","","2267.1","0.8","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O8 S -","- C22 H23 N3 O8 S -","- C88 H92 N12 O32 S4 -","4","1","","Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi","Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.","Nature chemistry","2014","6","1","47","51","10.1038/nchem.1796","","","0.71073","MoKα","","0.0357","0.0344","","","0.0873","0.0884","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513790","11.1674","0.0003","10.4372","0.0003","16.4146","0.0012","90","","90","","90","","1913.23","0.16","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H16 F6 N3 P Ru -","- C17 H16 F6 N3 P Ru -","- C68 H64 F24 N12 P4 Ru4 -","4","1","","Li, Le; Herzon, Seth B.","Temporal separation of catalytic activities allows anti-Markovnikov reductive functionalization of terminal alkynes.","Nature chemistry","2014","6","1","22","27","10.1038/nchem.1799","","","0.71075","MoKα","","0.0221","0.0212","","","0.0482","0.0485","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516318","18.0373","0.0004","18.0373","0.0004","18.0373","0.0004","90","","90","","90","","5868.3","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","I -4 3 d","I -4bd 2c 3","220","","","","- C25 H16 N4 O4 -","- C25 H16 N4 O4 -","- C300 H192 N48 O48 -","12","0.25","","Beaudoin, Daniel; Maris, Thierry; Wuest, James D.","Constructing monocrystalline covalent organic networks by polymerization","Nature Chemistry","2013","5","","830","834","10.1038/nchem.1730","","","1.54178","CuKα","","0.0318","0.0317","","","0.0786","0.079","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516319","13.1545","0.0015","13.1545","0.0015","7.9818","0.0009","90","","90","","90","","1381.2","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -4 b 2","P -4 -2ab","117","","","","- C25 H16 N4 O4 -","- C25 H16 N4 O4 -","- C50 H32 N8 O8 -","2","0.25","","Beaudoin, Daniel; Maris, Thierry; Wuest, James D.","Constructing monocrystalline covalent organic networks by polymerization","Nature Chemistry","2013","5","","830","834","10.1038/nchem.1730","","","1.54178","CuKα","","0.0892","0.0807","","","0.2344","0.2417","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516320","13.421","0.003","13.421","0.003","8.528","0.0019","90","","90","","90","","1536.1","0.6","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -4 b 2","P -4 -2ab","117","","","","- C24 H16 N4 O4 Si -","- C24 H16 N4 O4 Si -","- C48 H32 N8 O8 Si2 -","2","0.25","","Beaudoin, Daniel; Maris, Thierry; Wuest, James D.","Constructing monocrystalline covalent organic networks by polymerization","Nature Chemistry","2013","5","","830","834","10.1038/nchem.1730","","","1.54178","CuKα","","0.1102","0.0494","","","0.1023","0.1221","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516321","15.7703","0.0005","15.7703","0.0005","7.0717","0.0002","90","","90","","90","","1758.75","0.09","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 42/n :2","-P 4bc","86","","","","- C34 H28 N4 O4 -","- C34 H28 N4 O4 -","- C68 H56 N8 O8 -","2","0.25","","Beaudoin, Daniel; Maris, Thierry; Wuest, James D.","Constructing monocrystalline covalent organic networks by polymerization","Nature Chemistry","2013","5","","830","834","10.1038/nchem.1730","","","1.54178","CuKα","","0.0735","0.0685","","","0.21","0.2148","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520105","12.6007","0.0004","16.0006","0.0005","17.3353","0.0005","106.074","0.0015","101.073","0.0016","92.406","0.0016","3279.14","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H80 N4 O18 -","- C72 H80 N4 O18 -","- C144 H160 N8 O36 -","2","1","","Kelong Zhu; Christopher A. O'Keefe; V. Nicholas Vukotic; Robert W. Schurko; Stephen J. Loeb","A molecular shuttle that operates inside a metal-organic framework","Nature Chemistry","2015","7","","514","519","10.1038/nchem.2258","","","1.54178","CuKα","","0.1118","0.0771","","","0.1941","0.2207","","","","","","1.022","","","","has coordinates","192145","2020-10-21","18:00:00",""
"1520106","33.03","0.004","33.03","0.004","28.099","0.004","90","","90","","120","","26548","6","150","2","150","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C224 H273 B3 F12 N12 O66 Zn8 -","- C192 H180 N12 O50 Zn8 -","- C576 H540 N36 O150 Zn24 -","3","0.166667","","Kelong Zhu; Christopher A. O'Keefe; V. Nicholas Vukotic; Robert W. Schurko; Stephen J. Loeb","A molecular shuttle that operates inside a metal-organic framework","Nature Chemistry","2015","7","","514","519","10.1038/nchem.2258","","","0.71073","MoKα","","0.1311","0.0782","","","0.2135","0.2814","","","","","","0.997","","","","has coordinates,has disorder","192145","2020-10-21","18:00:00",""
"1545194","23.445","0.003","26.734","0.003","28.033","0.004","90","","90","","90","","17570","4","80","2","80","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C93.5 H186.96 N36.71 O45.36 P Pt6 -","- C93.5 H131.5 N36.71 O45.37 P Pt6 -","- C374 H526 N146.84 O181.48 P4 Pt24 -","4","1","","Sawada, Tomohisa; Yoshizawa, Michito; Sato, Sota; Fujita, Makoto","Minimal nucleotide duplex formation in water through enclathration in self-assembled hosts","Nature Chemistry","2009","1","1","53","","10.1038/nchem.100","","","0.71073","MoKα","","0.2065","0.0742","","","0.1899","0.2604","","","","","","1.009","","","","has coordinates,has disorder","191208","2020-10-21","18:00:00",""
"1545195","28.765","0.008","28.765","0.008","28.673","0.008","90","","90","","90","","23725","11","80","2","80","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C152 H239 N64 O97 P2 Pt6 -","- C152 H192 N64 O97 P2 Pt6 -","- C608 H768 N256 O388 P8 Pt24 -","4","0.5","","Sawada, Tomohisa; Yoshizawa, Michito; Sato, Sota; Fujita, Makoto","Minimal nucleotide duplex formation in water through enclathration in self-assembled hosts","Nature Chemistry","2009","1","1","53","","10.1038/nchem.100","","","0.71073","MoKα","","0.1371","0.0552","","","0.1313","0.1741","","","","","","0.988","","","","has coordinates,has disorder","191209","2020-10-21","18:00:00",""
"1545196","32.247","0.004","32.247","0.004","27.798","0.007","90","","90","","120","","25034","8","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C114 H198 N42 O69 Pt6 -","- C114 H120 N42 O69 Pt6 -","- C684 H720 N252 O414 Pt36 -","6","0.333333","","Sawada, Tomohisa; Yoshizawa, Michito; Sato, Sota; Fujita, Makoto","Minimal nucleotide duplex formation in water through enclathration in self-assembled hosts","Nature Chemistry","2009","1","1","53","","10.1038/nchem.100","","","0.71073","MoKα","","0.0542","0.0419","","","0.1005","0.1079","","","","","","0.968","","","","has coordinates,has disorder","191210","2020-10-21","18:00:00",""
"1547481","13.5027","0.0013","19.1805","0.0017","27.433","0.003","90","","91.337","0.004","90","","7102.9","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H55 Ca F9 Mn3 N6 O20 S3 -","- C68 H55 Ca F9 Mn3 N6 O20 S3 -","- C272 H220 Ca4 F36 Mn12 N24 O80 S12 -","4","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1357","0.0647","","","0.0834","0.0879","","","","","","1.901","","","","has coordinates,has disorder","201511","2020-10-21","18:00:00",""
"1547482","14.7053","0.0008","14.7735","0.0008","18.5085","0.0011","69.988","0.003","72.802","0.003","69.91","0.002","3475.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H45 Ca F9 Mn3 N6 O21 S3 -","- C64 H45 Ca F9 Mn3 N6 O21 S3 -","- C128 H90 Ca2 F18 Mn6 N12 O42 S6 -","2","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.0572","0.0516","","","0.1732","0.1773","","","","","","1.669","","","","has coordinates","201512","2020-10-21","18:00:00",""
"1547483","11.679","0.0004","27.0308","0.0009","25.7452","0.0009","90","","93.682","0.002","90","","8110.8","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H65 Ca F6 Mn3 N6 O19 S2 -","- C76 H65 Ca F6 Mn3 N6 O19 S2 -","- C304 H260 Ca4 F24 Mn12 N24 O76 S8 -","4","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1808","0.0939","","","0.2338","0.2615","","","","","","1.351","","","","has coordinates,has disorder","201513","2020-10-21","18:00:00",""
"1547484","16.0744","0.0008","26.0588","0.0013","20.2364","0.0011","90","","105.055","0.003","90","","8185.7","0.7","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C75 H57 Cl2 F9 Mn3 N6 O20 S3 Sr -","- C75 H57 Cl2 F9 Mn3 N6 O20 S3 Sr -","- C300 H228 Cl8 F36 Mn12 N24 O80 S12 Sr4 -","4","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1455","0.1018","","","0.3081","0.3347","","","","","","1.683","","","","has coordinates,has disorder","201514","2020-10-21","18:00:00",""
"1547485","11.7071","0.0004","27.1019","0.0012","25.4494","0.0011","90","","93.564","0.002","90","","8059.1","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H65 F6 Mn3 N6 O19 S2 Sr -","- C76 H65 F6 Mn3 N6 O19 S2 Sr -","- C304 H260 F24 Mn12 N24 O76 S8 Sr4 -","4","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1584","0.0865","","","0.1959","0.2193","","","","","","1.11","","","","has coordinates,has disorder","201515","2020-10-21","18:00:00",""
"1547486","14.3484","0.0008","14.3923","0.0007","18.5632","0.0009","72.643","0.003","73.273","0.003","70.956","0.003","3380.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C67.4 H47.11 F9 Mn3 N7.7 O18 S3 Zn -","- C67.404 H47.106 F9 Mn3 N7.702 O18 S3 Zn -","- C134.808 H94.212 F18 Mn6 N15.404 O36 S6 Zn2 -","2","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1119","0.0694","","","0.2015","0.2216","","","","","","1.466","","","","has coordinates,has disorder","201516","2020-10-21","18:00:00",""
"1547487","13.5641","0.0016","15.0073","0.0017","16.813","0.002","102.848","0.004","109.783","0.004","93.581","0.004","3104.3","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C126 H90 F12 Mn6 N12 Na2 O31.74 S4 -","- C126 H90 F12 Mn6 N12 Na2 O31.74 S4 -","- C126 H90 F12 Mn6 N12 Na2 O31.74 S4 -","1","0.5","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1426","0.0711","","","0.1588","0.1841","","","","","","1.434","","","","has coordinates,has disorder","201517","2020-10-21","18:00:00",""
"1547488","14.7253","0.0017","25.28","0.003","23.717","0.003","90","","102.212","0.006","90","","8629","1.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H65 F9 Mn3 N6 O21 S3 Y -","- C72 H65 F9 Mn3 N6 O21 S3 Y -","- C288 H260 F36 Mn12 N24 O84 S12 Y4 -","4","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.0794","0.0515","","","0.1233","0.1318","","","","","","1.07","","","","has coordinates","201518","2020-10-21","18:00:00",""
"1548529","6.7424","0.0005","17.1958","0.0014","9.2973","0.0007","90","","102.425","0.0017","90","","1052.69","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H31 Cl2 N -","- C22 H31 Cl2 N -","- C44 H62 Cl4 N2 -","2","1","","Shaolin Zhu; Nootaree Niljianskul; Stephen L. Buchwald","A direct approach to amines with remote stereocenters by enantioselective CuH-catalysed reductive relay hydroamination","Nature Chemistry","2016","8","","144","150","10.1038/nchem.2418","","","0.71073","MoKα","","0.0351","0.0321","","","0.0801","0.0821","","","","","","1.056","","","","has coordinates","204449","2020-10-21","18:00:00",""
"1551114","10.277","0.002","4.643","0.0009","11.285","0.002","90","","92.48","0.03","90","","537.97","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","synchrotron","","0.0419","0.0382","","","0.1052","0.1074","","","","","","1.153","","","","has coordinates","215470","2020-10-21","18:00:00",""
"1551115","10.225","0.002","4.708","0.0009","11.187","0.002","90","","93.01","0.03","90","","537.79","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.1839","0.0896","","","0.1516","0.1942","","","","","","1.138","","","","has coordinates","215471","2020-10-21","18:00:00",""
"1551116","10.231","0.002","4.7","0.0009","11.191","0.002","90","","92.95","0.03","90","","537.41","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.088","0.0641","","","0.1556","0.174","","","","","","1.103","","","","has coordinates","215472","2020-10-21","18:00:00",""
"1551117","10.257","0.002","4.678","0.0009","11.221","0.002","90","","92.81","0.03","90","","537.76","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.1365","0.0922","","","0.228","0.2617","","","","","","1.078","","","","has coordinates","215473","2020-10-21","18:00:00",""
"1551118","10.259","0.002","4.673","0.0009","11.23","0.002","90","","92.77","0.03","90","","537.74","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0727","0.0592","","","0.1444","0.1538","","","","","","1.08","","","","has coordinates","215474","2020-10-21","18:00:00",""
"1551119","10.238","0.002","4.691","0.0009","11.211","0.002","90","","92.85","0.03","90","","537.76","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.075","0.0619","","","0.1464","0.1597","","","","","","1.115","","","","has coordinates","215477","2020-10-21","18:00:00",""
"1551120","10.25","0.002","4.683","0.0009","11.213","0.002","90","","92.77","0.03","90","","537.6","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0641","0.0563","","","0.1268","0.1338","","","","","","1.098","","","","has coordinates","215478","2020-10-21","18:00:00",""
"1551121","10.268","0.002","4.674","0.0009","11.227","0.002","90","","92.56","0.03","90","","538.28","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0637","0.0578","","","0.1269","0.1313","","","","","","1.108","","","","has coordinates","215479","2020-10-21","18:00:00",""
"1551122","10.264","0.002","4.664","0.0009","11.249","0.002","90","","92.6","0.03","90","","537.95","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0591","0.0537","","","0.1101","0.1137","","","","","","1.07","","","","has coordinates","215480","2020-10-21","18:00:00",""
"1551123","10.271","0.002","4.654","0.0009","11.269","0.002","90","","92.46","0.03","90","","538.18","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0586","0.0526","","","0.1146","0.1194","","","","","","1.126","","","","has coordinates","215481","2020-10-21","18:00:00",""
"1551124","10.278","0.002","4.629","0.0009","11.318","0.002","90","","92.33","0.03","90","","538.03","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0599","0.054","","","0.118","0.1217","","","","","","1.135","","","","has coordinates","215482","2020-10-21","18:00:00",""
"1551125","10.283","0.002","4.618","0.0009","11.334","0.002","90","","92.26","0.03","90","","537.8","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0564","0.051","","","0.1055","0.109","","","","","","1.157","","","","has coordinates","215483","2020-10-21","18:00:00",""
"1551126","10.292","0.002","4.605","0.0009","11.36","0.002","90","","92.17","0.03","90","","538.02","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.056","0.0517","","","0.1095","0.1129","","","","","","1.107","","","","has coordinates","215484","2020-10-21","18:00:00",""
"1551127","10.301","0.002","4.594","0.0009","11.38","0.002","90","","92.07","0.03","90","","538.18","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0621","0.0554","","","0.1373","0.1448","","","","","","1.132","","","","has coordinates","215485","2020-10-21","18:00:00",""
"1551128","10.301","0.002","4.58","0.0009","11.413","0.002","90","","91.95","0.03","90","","538.14","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.064","0.0555","","","0.1286","0.1364","","","","","","1.112","","","","has coordinates","215486","2020-10-21","18:00:00",""
"1551129","10.305","0.002","4.573","0.0009","11.428","0.002","90","","91.94","0.03","90","","538.23","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.071","0.0602","","","0.1466","0.1565","","","","","","1.07","","","","has coordinates","215487","2020-10-21","18:00:00",""
"1551130","10.321","0.002","4.563","0.0009","11.444","0.002","90","","91.68","0.03","90","","538.72","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0735","0.0543","","","0.1261","0.1376","","","","","","1.163","","","","has coordinates","215488","2020-10-21","18:00:00",""
"1551131","10.326","0.002","4.558","0.0009","11.451","0.002","90","","91.63","0.03","90","","538.73","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.1779","0.0731","","","0.1313","0.1687","","","","","","1.08","","","","has coordinates","215489","2020-10-21","18:00:00",""
"1551132","10.261","0.002","4.668","0.0009","11.242","0.002","90","","92.72","0.03","90","","537.87","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0545","0.0472","","","0.1076","0.1122","","","","","","1.125","","","","has coordinates","215490","2020-10-21","18:00:00",""
"1551133","10.266","0.002","4.659","0.0009","11.26","0.002","90","","92.63","0.03","90","","537.99","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0466","0.0422","","","0.0971","0.0998","","","","","","1.2","","","","has coordinates","215491","2020-10-21","18:00:00",""
"1551134","10.268","0.002","4.654","0.0009","11.268","0.002","90","","92.61","0.03","90","","537.91","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0469","0.0438","","","0.0946","0.0964","","","","","","1.2","","","","has coordinates","215492","2020-10-21","18:00:00",""
"1551135","10.27","0.002","4.65","0.0009","11.282","0.002","90","","92.55","0.03","90","","538.24","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0481","0.0448","","","0.1001","0.1026","","","","","","1.196","","","","has coordinates","215493","2020-10-21","18:00:00",""
"1551136","10.276","0.002","4.64","0.0009","11.298","0.002","90","","92.49","0.03","90","","538.19","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0477","0.0449","","","0.0962","0.0983","","","","","","1.157","","","","has coordinates","215494","2020-10-21","18:00:00",""
"1551137","10.279","0.002","4.633","0.0009","11.311","0.002","90","","92.43","0.03","90","","538.17","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.046","0.0434","","","0.0928","0.0949","","","","","","1.075","","","","has coordinates","215495","2020-10-21","18:00:00",""
"1551138","10.287","0.002","4.615","0.0009","11.348","0.002","90","","92.26","0.03","90","","538.32","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0463","0.0436","","","0.0934","0.0955","","","","","","1.126","","","","has coordinates","215496","2020-10-21","18:00:00",""
"1551139","10.29","0.002","4.611","0.0009","11.357","0.002","90","","92.22","0.03","90","","538.45","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.049","0.0468","","","0.1021","0.1035","","","","","","1.14","","","","has coordinates","215497","2020-10-21","18:00:00",""
"1551140","10.293","0.002","4.603","0.0009","11.372","0.002","90","","92.14","0.03","90","","538.41","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0528","0.0493","","","0.122","0.1251","","","","","","1.126","","","","has coordinates","215498","2020-10-21","18:00:00",""
"1551141","10.296","0.002","4.599","0.0009","11.38","0.002","90","","92.1","0.03","90","","538.5","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.063","0.0571","","","0.1467","0.1522","","","","","","1.071","","","","has coordinates","215499","2020-10-21","18:00:00",""
"1551160","16.321","0.003","16.896","0.003","27.357","0.003","107.097","0.008","95.666","0.008","92.215","0.007","7157","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C142 H129 Au11 Cl9 N2 P7 -","- C142 H129 Au10.988 Cl9 N2 P7 -","- C284 H258 Au21.976 Cl18 N4 P14 -","2","1","","Mina R. Narouz; Kimberly M. Osten; Phillip J. Unsworth; Renee W. Y. Man; Kirsi Salorinne; Shinjiro Takano; Ryohei Tomihara; Sami Kaappa; Sami Malola; Cao-Thang Dinh; J. Daniel Padmos; Kennedy Ayoo; Patrick J. Garrett; Masakazu Nambo; J. Hugh Horton; Edward H. Sargent; Hannu Hakkinen; Tatsuya Tsukuda; Cathleen M. Crudden","N-heterocyclic carbene-functionalized magic-number gold nanoclusters","Nature Chemistry","2019","11","","419","425","10.1038/s41557-019-0246-5","","","0.71075","MoKα","","0.0749","0.0679","","","0.1727","0.1785","","","","","","1.102","","","","has coordinates,has disorder","215549","2020-10-21","18:00:00",""
"1551161","15.3069","0.0005","26.9467","0.0008","31.284","0.001","90","","90","","90","","12903.7","0.7","100","","100","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C18 H18 In N3 O8 -","- C18 H18 In N3 O8 -","- C288 H288 In16 N48 O128 -","16","","","Carrington, Elliot J.; McAnally, Craig A.; Fletcher, Ashleigh J.; Thompson, Stephen P.; Warren, Mark; Brammer, Lee","Solvent-switchable continuous-breathing behaviour in a diamoniod metal-organic framework and its influence on CO2 vs CH4 selectivity","Nature Chemistry","2017","9","","882","889","10.1038/nchem.2747","","","0.71073","MoKα","","0.061","0.0523","","","0.1834","0.1961","","","","","","1.204","","","","has coordinates,has disorder","215550","2020-10-21","18:00:00",""
"1551277","13.1784","0.0016","13.1784","0.0016","9.8668","0.0012","90","","90","","120","","1484","0.3","183","2","183","2","","","","","","","","4","P 32","P 32","145","","","","- C22 H31 Cl O3 -","- C22 H31 Cl O3 -","- C66 H93 Cl3 O9 -","3","1","","Evijola Llabani; Robert W. Hicklin; Hyang Yeon Lee; Stephen E. Motika; Lisa A. Crawford; Eranthie Weerapana; Paul J. Hergenrother","Diverse compounds from pleuromutilin lead to a thioredoxin inhibitor and inducer of ferroptosis","Nature Chemistry","2019","11","","521","532","10.1038/s41557-019-0261-6","","","0.71073","MoKα","","0.0292","0.0273","","","0.0675","0.0689","","","","","","1.031","","","","has coordinates,has Fobs","215756","2020-10-21","18:00:00",""
"1551278","8.5146","0.0003","14.5929","0.0005","24.9839","0.0009","90","","90","","90","","3104.32","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39.9 Cl N4 O7.45 -","- C32 H39.896 Cl N4 O7.448 -","- C128 H159.584 Cl4 N16 O29.792 -","4","1","","Evijola Llabani; Robert W. Hicklin; Hyang Yeon Lee; Stephen E. Motika; Lisa A. Crawford; Eranthie Weerapana; Paul J. Hergenrother","Diverse compounds from pleuromutilin lead to a thioredoxin inhibitor and inducer of ferroptosis","Nature Chemistry","2019","11","","521","532","10.1038/s41557-019-0261-6","","","0.71073","MoKα","","0.0486","0.0434","","","0.1145","0.1176","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","215757","2020-10-21","18:00:00",""
"1551314","2.861","0.0004","9.8123","0.0005","12.5425","0.0011","90","","90","","90","","352.11","0.06","4","","4","","","","","","","","","2","P 1 21/m 1 (c,2*a+c,b)","-P 2yb (-1/2*x+z,1/2*x,y)","11","","iron (II,III) oxide","","- Fe4 O5 -","- Fe4 O5 -","- Fe16 O20 -","4","","","Sergey V. Ovsyannikov; Maxim Bykov; Elena Bykova; Denis P. Kozlenko; Alexander A. Tsirlin; Alexander E. Karkin; Vladimir V. Shchennikov; Sergey E. Kichanov; Huiyang Gou; Artem M. Abakumov; Ricardo Egoavil; Johan Verbeeck; Catherine McCammon; Vadim Dyadkin; Dmitry Chernyshov; Sander van Smaalen; Leonid S. Dubrovinsky","Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation","Nature Chemistry","2016","8","","501","508","10.1038/nchem.2478","","x-ray","0.68884","synchrotron","","0.0582","0.0518","","","0.0845","0.085","","","","4.27","4.27","3.62","","","","has coordinates","215811","2020-10-21","18:00:00",""
"1551315","8.583","0.0004","39.2492","0.0005","12.5425","0.0011","90","","90","","90","","4225.3","0.4","","","","","","","","","","","","2","P 1","P 1","1","","","","- Fe4 O5 -","- Fe48 O60 -","- Fe192 O240 -","4","4","","Sergey V. Ovsyannikov; Maxim Bykov; Elena Bykova; Denis P. Kozlenko; Alexander A. Tsirlin; Alexander E. Karkin; Vladimir V. Shchennikov; Sergey E. Kichanov; Huiyang Gou; Artem M. Abakumov; Ricardo Egoavil; Johan Verbeeck; Catherine McCammon; Vadim Dyadkin; Dmitry Chernyshov; Sander van Smaalen; Leonid S. Dubrovinsky","Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation","Nature Chemistry","2016","8","","501","508","10.1038/nchem.2478","","","","","","","","","","","","","","","","","","","","","has coordinates","215812","2020-10-21","18:00:00",""
"1551316","8.9571","0.0009","5.9973","0.0006","9.1546","0.0009","90","","90","","90","","491.77","0.08","300","2","300.15","","","","","","","","","5","P m n 21","P 2ac -2","31","","quinuclidinium perrhenate","","- C7 H14 N O4 Re -","- C7 H14 N O4 Re -","- C14 H28 N2 O8 Re2 -","2","0.5","","Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe","Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules","Nature Chemistry","2016","8","","946","952","10.1038/nchem.2567","","","0.71073","MoKα","","0.0148","0.0147","","","0.0368","0.0368","","","","","","1.152","","","","has coordinates","215813","2020-10-21","18:00:00",""
"1551317","6.36","0.002","6.36","0.002","6.36","0.002","89.912","0.003","89.912","0.003","89.912","0.003","257.26","0.14","350","","350","","","","","","","","","5","R 3 m :R","P 3* -2","160","","quinuclidinium perrhenate","","- C7 H14 N O4 Re -","- C6.9993 N0.9999 O4.0002 Re -","- C6.9993 N0.9999 O4.0002 Re -","1","0.166667","","Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe","Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules","Nature Chemistry","2016","8","","946","952","10.1038/nchem.2567","","","0.71073","MoKα","","0.0255","0.0255","","","0.0624","0.0624","","","","","","1.154","","","","has coordinates","215814","2020-10-21","18:00:00",""
"1551318","6.3881","0.0011","6.3881","0.0011","6.3881","0.0011","90","","90","","90","","260.68","0.08","380","","380","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","quinuclidinium perrhenate","","- C7 H14 N O4 Re -","- C7.9992 O4 Re -","- C7.9992 O4 Re -","1","0.0208333","","Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe","Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules","Nature Chemistry","2016","8","","946","952","10.1038/nchem.2567","","","0.71073","MoKα","","0.0381","0.0375","","","0.0994","0.1","","","","","","1.179","","","","has coordinates","215815","2020-10-21","18:00:00",""
"1551319","20.1798","0.0008","20.1798","0.0008","20.1798","0.0008","90","","90","","90","","8217.7","0.6","100","2","100","","","","","","","","","4","P 41 3 2","P 4bd 2ab 3","213","","","","- C30 H62 N8 O16 -","- C30 H36 N8 O16 -","- C240 H288 N64 O128 -","8","0.333333","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71075","MoKα","","0.0627","0.057","","","0.1809","0.1854","","","","","","1.48","","","","has coordinates","215816","2020-10-21","18:00:00",""
"1551320","23.6949","0.0013","13.4437","0.0007","18.9583","0.0011","90","","98.83","0.002","90","","5967.5","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C72 H69 N11 -","- C72 H65.7968 N11 -","- C288 H263.187 N44 -","4","0.5","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.0916","0.0702","","","0.1828","0.2027","","","","","","1.031","","","","has coordinates,has disorder","215817","2020-10-21","18:00:00",""
"1551321","20.792","0.004","20.792","0.004","45.156","0.009","90","","90","","120","","16906","6","400","","400","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.710747","MoKα","K-L~3~","0.0925","0.0742","","","0.2008","0.229","","","","","","1.053","","","","has coordinates,has disorder","215818","2020-10-21","18:00:00",""
"1551322","20.804","0.003","20.804","0.003","45.126","0.007","90","","90","","120","","16914","4","400","2","450","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H234 N35 -","- C648 H702 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.710747","MoKα","K-L~3~","0.0892","0.0678","","","0.1934","0.2233","","","","","","1.025","","","","has coordinates,has disorder","215819","2020-10-21","18:00:00",""
"1551323","20.4108","0.0007","20.4108","0.0007","44.6718","0.0017","90","","90","","120","","16117","1","100","","100","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0524","0.0433","","","0.1164","0.1232","","","","","","1.057","","","","has coordinates,has disorder","215820","2020-10-21","18:00:00",""
"1551324","20.6365","0.0016","20.6365","0.0016","44.899","0.004","90","","90","","120","","16559","2","300","","300","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0865","0.046","","","0.1236","0.1546","","","","","","1.081","","","","has coordinates,has disorder","215821","2020-10-21","18:00:00",""
"1551325","20.718","0.002","20.718","0.002","44.992","0.005","90","","90","","120","","16725","3","300","","300","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C218.02 H246.5 Cl1.5 N35 O1.5 -","- C218.02 H240.5 Cl1.5 N35 O0.84 -","- C654.06 H721.5 Cl4.5 N105 O2.52 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0963","0.0737","","","0.2022","0.2282","","","","","","1.055","","","","has coordinates,has disorder","215822","2020-10-21","18:00:00",""
"1551326","20.6071","0.0011","20.6071","0.0011","44.949","0.003","90","","90","","120","","16530.4","1.7","293","","293","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.6889","Synchrotron","","0.0798","0.0583","","","0.161","0.1801","","","","","","1.036","","","","has coordinates,has disorder","215823","2020-10-21","18:00:00",""
"1551327","20.5397","0.0011","20.5397","0.0011","44.747","0.003","90","","90","","120","","16348.7","1.7","100","","100","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C226 H268 Cl6 N35 O8 -","- C223.93 H260 Cl6 N35 O8.02 -","- C671.79 H780 Cl18 N105 O24.06 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0745","0.0662","","","0.19","0.2001","","","","","","1.062","","","","has coordinates,has disorder","215824","2020-10-21","18:00:00",""
"1551328","21.7305","0.0017","19.737","0.0015","22.9973","0.0017","90","","105.506","0.002","90","","9504.4","1.3","100","","100","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C80 H119 Cl2 N12 O9.5 -","- C79.75 H114 Cl1.75 N12 O9.5 -","- C319 H456 Cl7 N48 O38 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.0943","0.0869","","","0.2458","0.2563","","","","","","1.017","","","","has coordinates,has disorder","215825","2020-10-21","18:00:00",""
"1551329","21.644","0.0009","19.7822","0.0008","23.2696","0.0015","90","","105.704","0.001","90","","9591.4","0.8","100","","100","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C83 H137 N12 O15 -","- C83 H129 N12 O15 -","- C332 H516 N48 O60 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.1234","0.1152","","","0.3264","0.3387","","","","","","1.6","","","","has coordinates,has disorder","215826","2020-10-21","18:00:00",""
"1551330","33.883","0.008","20.467","0.005","25.712","0.006","90","","95.249","0.008","90","","17756","7","300","2","300","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C72 H84 N12 -","- C72 H84 N12 -","- C576 H672 N96 -","8","2","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.1186","0.0907","","","0.2331","0.2673","","","","","","1.075","","","","has coordinates","215827","2020-10-21","18:00:00",""
"1551331","34.692","0.002","19.8867","0.0013","26.6702","0.0018","90","","93.334","0.002","90","","18369","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C155.5 H234 Cl N24 O21.5 -","- C155.5 H213 Cl N24 O21.375 -","- C622 H852 Cl4 N96 O85.5 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.710747","MoKα","K-L~3~","0.1071","0.0977","","","0.2645","0.2748","","","","","","1.052","","","","has coordinates,has disorder","215828","2020-10-21","18:00:00",""
"1551332","34.796","0.003","19.8984","0.0014","26.7636","0.0018","90","","93.452","0.002","90","","18497","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C154 H208.5 Cl9 N24 O11.75 -","- C154 H199 Cl9 N24 O11.75 -","- C616 H796 Cl36 N96 O47 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.1833","0.1641","","","0.4202","0.4368","","","","","","1.94","","","","has coordinates,has disorder","215829","2020-10-21","18:00:00",""
"1551333","15.8532","0.0007","15.8532","0.0007","33.088","0.002","90","","90","","120","","7201.7","0.6","100","","100","","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C108 H252 N24 O45 -","- C108 H162 N24 O45 -","- C216 H324 N48 O90 -","2","0.333333","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.1342","0.1156","","","0.3141","0.3388","","","","","","1.426","","","","has coordinates,has disorder","288467","2023-12-21","09:11:23",""
"1551334","28.107","0.005","6.679","0.0006","13.398","0.002","90","","117.776","0.013","90","","2225.4","0.6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H21 Br O10 -","- C19 H21 Br O10 -","- C76 H84 Br4 O40 -","4","1","","Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath","A multistep single-crystal-to-single-crystal bromodiacetylene dimerization","Nature Chemistry","2013","5","","327","334","10.1038/nchem.1575","","","0.71073","MoKα","","0.0764","0.0539","","","0.1286","0.1424","","","","","","1.107","","","","has coordinates,has disorder","215831","2020-10-21","18:00:00",""
"1551335","28.5038","0.0003","6.6628","0.0006","13.4137","0.0007","90","","117.232","0.002","90","","2265.1","0.2","173","","173","","","","","","","","MAT ETH Zurich","4","C 1 2 1","C 2y","5","","","","- C19 H21 Br O10 -","- C19 H21 Br O10 -","- C76 H84 Br4 O40 -","4","1","","Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath","A multistep single-crystal-to-single-crystal bromodiacetylene dimerization","Nature Chemistry","2013","5","","327","334","10.1038/nchem.1575","","","0.71073","MoKα","","0.113","0.0808","","","0.2071","0.2282","","","","","","1.367","","","","has coordinates,has disorder","215832","2020-10-21","18:00:00",""
"1551336","7.2835","0.0002","12.3657","0.0004","24.4205","0.001","90","","90","","90","","2199.45","0.13","223","","223","","","","","","","","MAT ETH Zurich","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Br O10 -","- C19 H21 Br O10 -","- C76 H84 Br4 O40 -","4","1","","Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath","A multistep single-crystal-to-single-crystal bromodiacetylene dimerization","Nature Chemistry","2013","5","","327","334","10.1038/nchem.1575","","","0.71073","MoKα","","0.0756","0.0559","","","0.1501","0.1645","","","","","","1.087","","","","has coordinates","215833","2020-10-21","18:00:00",""
"1551337","22.058","0.008","36.936","0.013","39.49","0.012","91.137","0.015","101.582","0.003","105.808","0.008","30232","18","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C260 H304 N32 O83 P16 -","- C243.5 H249 N32 O83 P16 -","- C974 H996 N128 O332 P64 -","4","2","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","1.54178","CuKα","","0.2182","0.1765","","","0.4459","0.4834","","","","","","1.452","","","","has coordinates","215834","2020-10-21","18:00:00",""
"1551338","42.984","0.002","52.9718","0.0014","33.962","0.002","90","","126.304","0.002","90","","62319","5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C259 H311 Cl3 N32 O83 P16 Si -","- C195 H151 Cl3 N32 O83 P16 Si -","- C1560 H1208 Cl24 N256 O664 P128 Si8 -","8","1","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","1.54178","CuKα","","0.3397","0.1574","","","0.3276","0.3615","","","","","","0.971","","","","has coordinates","215835","2020-10-21","18:00:00",""
"1551339","26.415","0.017","28.192","0.014","42.64","0.02","85.65","0.011","75.41","0.02","75.48","0.05","29745","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C508 H592 N64 O163 P32 -","- C454 H427 N64 O163 P32 -","- C908 H854 N128 O326 P64 -","2","1","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","0.81","","","0.2616","0.2081","","","0.4845","0.5207","","","","","","1.691","","","","has coordinates","215836","2020-10-21","18:00:00",""
"1551340","17.006","0.003","20.157","0.004","24.463","0.005","75.85","0.03","69.66","0.03","85.93","0.03","7623","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H168 N16 O39 P8 -","- C140 H168 N16 O39 P8 -","- C280 H336 N32 O78 P16 -","2","1","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","1.54178","CuKα","","0.1456","0.1245","","","0.3044","0.3189","","","","","","1.259","","","","has coordinates","215837","2020-10-21","18:00:00",""
"1551341","17.041","0.003","52.198","0.01","14.911","0.003","90","","106.91","0.03","90","","12690","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C127 H128 Cl0 N20 O24 -","- C127 H128 N20 O24 -","- C508 H512 N80 O96 -","4","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","1.54178","CuKα","","0.2592","0.1297","","","0.2556","0.2888","","","","","","1.311","","","","has coordinates,has disorder","215838","2020-10-21","18:00:00",""
"1551342","27.392","0.006","35.87","0.007","28.337","0.006","90","","90.14","0.03","90","","27842","10","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C238 H226 N40 O44 -","- C238 H226 N40 O44 -","- C952 H904 N160 O176 -","4","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.8","","","0.1185","0.1048","","","0.2709","0.28","","","","","","1.757","","","","has coordinates,has disorder","215839","2020-10-21","18:00:00",""
"1551343","29.331","0.004","29.331","0.004","59.183","0.012","90","","90","","120","","44094","12","293","2","293","2","","","","","","","","5","P 3","P 3","143","","","","- C488 H460 Cl12 N80 O88 -","- C463 H383 Cl12 N80 O88 -","- C1389 H1149 Cl36 N240 O264 -","3","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.85","","","0.1421","0.1251","","","0.2917","0.2986","","","","","","1.74","","","","has coordinates,has disorder","215840","2020-10-21","18:00:00",""
"1551344","19.1113","0.0013","28.614","0.002","35.75","0.003","71.488","0.002","81.839","0.002","75.011","0.002","17869","2","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C256 H246 N44 O46 -","- C256 H246 N44 O46 -","- C512 H492 N88 O92 -","2","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","1.54178","CuKα","","0.1729","0.1089","","","0.2468","0.2663","","","","","","1.058","","","","has coordinates,has disorder","215841","2020-10-21","18:00:00",""
"1551345","18.008","0.004","18.419","0.004","30.513","0.006","78.68","0.03","88.33","0.03","65.83","0.03","9039","4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C312 H313 Cl24 N44 O50 -","- C312 H313 Cl24 N44 O50 -","- C312 H313 Cl24 N44 O50 -","1","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.85001","","","0.1212","0.1019","","","0.2438","0.2527","","","","","","1.824","","","","has coordinates,has disorder","215842","2020-10-21","18:00:00",""
"1551346","25.286","0.005","26.901","0.005","27.418","0.006","108.71","0.03","107.77","0.03","109.81","0.03","14718","10","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C112 H104 N18 O21 -","- C112 H104 N18 O21 -","- C448 H416 N72 O84 -","4","4","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.8","","","0.1282","0.1021","","","0.2517","0.2747","","","","","","0.949","","","","has coordinates","215843","2020-10-21","18:00:00",""
"1551355","7.4858","0.0004","21.374","0.0012","21.5083","0.0013","90","","91.545","0.002","90","","3440.1","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3-((S)-5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-2-fluoro- N,N-dimethylpropan-1-aminium (2R,3R)-2,3-bis(benzoyloxy)-3-carboxypropanoate","","- C38 H34 F2 N2 O9 -","- C38 H34 F2 N2 O9 -","- C152 H136 F8 N8 O36 -","4","2","","Pauline Adler; Christopher J. Teskey; Daniel Kaiser; Marion Holy; Harald H. Sitte; Nuno Maulide","Alpha-Fluorination of carbonyls with nucleophilic fluorine","Nature Chemistry","2019","11","","329","334","10.1038/s41557-019-0215-z","","x-ray","0.71073","MoKα","","0.1032","0.0809","","","0.1755","0.1895","","","","","","1.071","","","","has coordinates,has disorder","215873","2020-10-21","18:00:00",""
"1551356","9.2109","0.0004","9.2109","0.0004","76.327","0.003","90","","90","","120","","5608.1","0.4","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C36 H30 Cl2 F12 Mn N4 -","- C36 H30 Cl2 F12 Mn N4 -","- C216 H180 Cl12 F72 Mn6 N24 -","6","1","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","1.54178","CuKα","","0.0495","0.0493","","","0.1197","0.1199","","","","","","1.129","","","","has coordinates","215874","2020-10-21","18:00:00",""
"1551357","10.5506","0.0004","10.5506","0.0004","25.221","0.0012","90","","90","","120","","2431.35","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C24 H32 F12 Mn N6 Sb2 -","- C24 H32 F12 Mn N6 Sb2 -","- C72 H96 F36 Mn3 N18 Sb6 -","3","0.5","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","0.71073","MoKα","","0.0214","0.0204","","","0.042","0.0423","","","","","","1.13","","","","has coordinates","215875","2020-10-21","18:00:00",""
"1551358","10.7987","0.0004","9.1936","0.0003","27.3628","0.0011","90","","97.543","0.001","90","","2693.04","0.17","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","1","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","1.54178","CuKα","","0.042","0.0413","","","0.1168","0.1175","","","","","","1.074","","","","has coordinates,has disorder","215876","2020-10-21","18:00:00",""
"1551359","10.7688","0.0003","16.7429","0.0004","15.5965","0.0004","90","","101.666","0.0007","90","","2753.97","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H37 O8.5 -","- C29 H37 O8.5 -","- C116 H148 O34 -","4","2","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","1.54178","CuKα","","0.0467","0.0438","","","0.1094","0.1122","","","","","","1.096","","","","has coordinates,has disorder","279817","2022-12-09","07:50:21",""
"1551362","7.4654","0.0004","8.3783","0.0004","17.0551","0.0008","97.595","0.004","100.424","0.004","90.636","0.004","1039.27","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C48 H40 N8 O8 S4 -","4","2","","Xiaoyan Wang; Linjiang Chen; Samantha Y. Chong; Marc A. Little; Yongzhen Wu; Wei-Hong Zhu; Rob Clowes; Yong Yan; Martijn A. Zwijnenburg; Reiner Sebastian Sprick; Andrew I. Cooper","Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water","Nature Chemistry","2018","10","","1180","1189","10.1038/s41557-018-0141-5","","x-ray","0.6889","synchrotron","","0.0849","0.0789","","","0.2109","0.217","","","","","","1.028","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1551363","5.8666","0.0002","10.0313","0.0003","13.5015","0.0004","90","","97.082","0.003","90","","788.5","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O4 S2 -","- C18 H12 N2 O4 S2 -","- C36 H24 N4 O8 S4 -","2","0.5","","Xiaoyan Wang; Linjiang Chen; Samantha Y. Chong; Marc A. Little; Yongzhen Wu; Wei-Hong Zhu; Rob Clowes; Yong Yan; Martijn A. Zwijnenburg; Reiner Sebastian Sprick; Andrew I. Cooper","Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water","Nature Chemistry","2018","10","","1180","1189","10.1038/s41557-018-0141-5","","x-ray","0.6889","Synchrotron","","0.055","0.0496","","","0.1308","0.1353","","","","","","1.034","","","","has coordinates","215881","2020-10-21","18:00:00",""
"1551364","9.757","0.002","19.778","0.004","20.491","0.004","113.73","0.03","95.26","0.03","90.27","0.03","3600.9","1.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl2 Co N6 O8 -","- C36 H30 Cl2 Co N6 O8 -","- C144 H120 Cl8 Co4 N24 O32 -","4","2","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","0.71073","MoKα","","0.2604","0.1614","","","0.4041","0.4562","","","","","","1.363","","","","has coordinates","215882","2020-10-21","18:00:00",""
"1551365","21.469","0.004","31.178","0.006","34.437","0.007","90","","96.87","0.03","90","","22885","8","180","2","180","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C390 H330 Cl20 Co10 N60 O76 -","- C390 H330 Cl16 Co10 N60 O60 -","- C780 H660 Cl32 Co20 N120 O120 -","2","0.5","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","0.71073","MoKα","","0.1992","0.157","","","0.3787","0.413","","","","","","1.424","","","","has coordinates","215883","2020-10-21","18:00:00",""
"1551366","70.5877","0.0007","79.1494","0.001","80.8163","0.001","90","","90","","90","","451519","9","120","2","120","2","","","","","","","","9","F d d d :2","-F 2uv 2vw","70","","","","- C422 H343.5 Cl Co10 F114 N76 O46 P7.5 S23 -","- C403.5 H343.5 Cl Co10 F58.5 N67 O9 P7.5 S7.51 -","- C12912 H10992 Cl32 Co320 F1872 N2144 O288 P240 S240.32 -","32","1","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","1.54184","CuKα","","0.3405","0.2186","","","0.5124","0.5616","","","","","","1.736","","","","has coordinates,has disorder","215884","2020-10-21","18:00:00",""
"1551367","70.759","0.003","79.508","0.002","81.13","0.002","90","","90","","90","","456430","3","100","2","100","2","","","","","","","","9","F d d d :2","-F 2uv 2vw","70","","","","- C423 H345 Cl Co10 F111 N76 O47 P7 S23 -","- C407.5 H345 Cl Co10 F64.5 N68.5 O16 P7 S11.26 -","- C13040 H11040 Cl32 Co320 F2064 N2192 O512 P224 S360.32 -","32","1","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","0.6889","","","0.2646","0.2374","","","0.5673","0.5905","","","","","","1.657","","","","has coordinates,has disorder","215885","2020-10-21","18:00:00",""
"1551368","24.7578","0.0002","24.7578","0.0002","41.4172","0.001","90","","90","","120","","21985.5","0.6","120","2","120","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C188 H168 Co4 F24 N34 O24 S8 -","- C171.5 H143.997 Co4 F22.5 N28 O22.5 S7.5 -","- C686 H575.988 Co16 F90 N112 O90 S30 -","4","0.333333","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","1.54178","CuKα","","0.1226","0.1027","","","0.2835","0.3019","","","","","","1.113","","","","has coordinates","287876","2023-11-30","07:26:55",""
"1551369","19.8457","0.0004","23.3538","0.0006","27.1601","0.0005","106.247","0.002","106.538","0.002","101.356","0.002","11049.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C144.25 H160 Br0.8 N36.25 O69.5 S2 -","- C144.25 H160 Br0.8 N36.25 O69.5 S2 -","- C288.5 H320 Br1.6 N72.5 O139 S4 -","2","1","","Joseph M. Rogers; Sunbum Kwon; Simon J. Dawson; Pradeep K. Mandal; Hiroaki Suga; Ivan Huc","Ribosomal synthesis and folding of peptide-helical aromatic foldamer hybrids","Nature Chemistry","2018","10","","405","412","10.1038/s41557-018-0007-x","","","1.54184","CuKα","","0.1592","0.1355","","","0.3964","0.4202","","","","","","1.689","","","","has coordinates,has disorder","215887","2020-10-21","18:00:00",""
"1551370","22.586","0.005","12.292","0.003","29.421","0.006","90","","92.34","0.03","90","","8161","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F6 K6 Mn Na3 O76 W17 -","- F6 K6 Mn Na3 O76 W17 -","- F24 K24 Mn4 Na12 O304 W68 -","4","0.5","","Roy E. Schreiber; Lothar Houben; Sharon G. Wolf; Gregory Leitus; Zhong-Ling Lang; Jorge J. Carbo; Josep M. Poblet; Ronny Neumann","Real-time molecular scale observation of crystal formation","Nature Chemistry","2017","9","","369","373","10.1038/nchem.2675","","","0.71073","MoKα","","0.0859","0.0499","","","0.1118","0.1288","","","","","","1.02","","","","has coordinates","215888","2020-10-21","18:00:00",""
"1551371","17.983","0.004","18.413","0.004","22.333","0.005","90","","90","","90","","7395","3","100","2","100","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- Cs11 F12 K5 Mn2 Na2 O128 W34 -","- Cs11 F12 K5 Mn1.9992 Na2 O128 W34.0008 -","- Cs22 F24 K10 Mn3.9984 Na4 O255.999 W68.0016 -","2","0.125","","Roy E. Schreiber; Lothar Houben; Sharon G. Wolf; Gregory Leitus; Zhong-Ling Lang; Jorge J. Carbo; Josep M. Poblet; Ronny Neumann","Real-time molecular scale observation of crystal formation","Nature Chemistry","2017","9","","369","373","10.1038/nchem.2675","","","0.71073","MoKα","","0.0951","0.0787","","","0.1908","0.2001","","","","","","1.178","","","","has coordinates,has disorder","215889","2020-10-21","18:00:00",""
"1551372","10.4819","0.0003","10.4819","0.0003","57.62","0.002","90","","90","","90","","6330.7","0.3","147","2","147","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C28 H42 N7 O6.5 -","- C28 H42 N7 O6.5 -","- C224 H336 N56 O52 -","8","1","","John R. Frost; Conor C. G. Scully; Andrei K. Yudin","Oxadiazole grafts in peptide macrocycles","Nature Chemistry","2016","8","","1105","1111","10.1038/nchem.2636","","","1.54178","CuKα","","0.0399","0.0386","","","0.0992","0.1","","","","","","1.082","","","","has coordinates,has disorder","215890","2020-10-21","18:00:00",""
"1551373","19.3322","0.0008","19.3322","0.0008","28.9191","0.0013","90","","90","","120","","9360","0.7","100","2","100","","","","","","","","","4","R 3 :H","R 3","146","","1,5,10-(1,8)trianthracena-2,4,5,8,9,11-hexaoxa-3,7(1,3,5)ditriazinabicyclo[3.3.3]undecaphane","","- C168 H88 N26 O18 -","- C168.001 H88.0008 N26.0004 O18 -","- C504.004 H264.002 N78.0012 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","x-ray","0.71073","MoKα","","0.0641","0.0563","","","0.1491","0.1568","","","","","","1.034","","","","has coordinates,has disorder","215891","2020-10-21","18:00:00",""
"1551374","19.3695","0.0004","19.3695","0.0004","28.9712","0.001","90","","90","","120","","9413.1","0.4","115","2","115","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C168 H88 N26 O18 -","- C168.12 H88.08 N26.04 O18 -","- C504.36 H264.24 N78.12 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","","0.71073","MoKα","","0.1237","0.0924","","","0.2541","0.2862","","","","","","1.046","","","","has coordinates,has disorder","215892","2020-10-21","18:00:00",""
"1551375","19.4976","0.0006","19.4976","0.0006","29.0508","0.0016","90","","90","","120","","9564.3","0.7","99.99","","99.99","","","","","","","","","4","R 3 :H","R 3","146","","poly(1,5,10-(1,8)trianthracena-2,4,5,8,9,11-hexaoxa-3,7(1,3,5)ditriazinabicyclo[3.3.3]undecaphane)","","- C168 H88 N26 O18 -","- C168.001 H88.0158 N26.0004 O18 -","- C504.004 H264.047 N78.0012 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","x-ray","1.54178","CuKα","","0.1256","0.0987","","","0.2715","0.3055","","","","","","1.165","","","","has coordinates,has disorder","215893","2020-10-21","18:00:00",""
"1551376","19.5973","0.0005","19.5973","0.0005","27.8613","0.001","90","","90","","120","","9266.7","0.5","100","2","100","","","","","","","","","4","P 31","P 31","144","","1,5,10-(1,8)trianthracena-2,4,5,8,9,11-hexaoxa-3,7(1,3,5)ditriazinabicyclo[3.3.3]undecaphane","","- C162 H84 N24 O18 -","- C162 H84 N24 O18 -","- C486 H252 N72 O54 -","3","1","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","x-ray","1.54178","CuKα","","0.1279","0.1104","","","0.2835","0.3059","","","","","","1.206","","","","has coordinates,has disorder","215894","2020-10-21","18:00:00",""
"1551377","19.4393","0.0005","19.4393","0.0005","28.547","0.002","90","","90","","120","","9342.3","0.7","115","2","115","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C168 H88 N26 O18 -","- C168.12 H88.08 N26.04 O18 -","- C504.36 H264.24 N78.12 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","","0.71073","MoKα","","0.2333","0.1195","","","0.3079","0.3914","","","","","","1.107","","","","has coordinates,has disorder","215895","2020-10-21","18:00:00",""
"1551384","17.018","0.003","19.782","0.004","33.512","0.007","81.76","0.03","88.25","0.03","82.41","0.03","11067","4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C206 H209 N40 O40 -","- C205.5 H208.5 N40.5 O40 -","- C411 H417 N81 O80 -","2","2","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","0.8","synchrotron","","0.2522","0.1217","","","0.2979","0.4099","","","","","","1.135","","","","has coordinates","275434","2022-05-16","05:31:56",""
"1551385","24.443","0.0006","21.3714","0.0005","46.5745","0.001","90","0.001","101.926","0.001","90","0.001","23804.5","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C206 H210 N40 O40 -","- C206 H210 N40 O40 -","- C824 H840 N160 O160 -","4","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","1.54178","CuKα","","0.2254","0.1677","","","0.4601","0.5103","","","","","","1.47","","","","has coordinates","215914","2020-10-21","18:00:00",""
"1551386","29.18","0.006","31.72","0.006","32.14","0.006","69.39","0.03","73.89","0.03","68.09","0.03","25465","11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C412 H420 N80 O82 -","- C412 H420 N80 O82 -","- C824 H840 N160 O164 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","0.78","synchrotronradiation","","0.1761","0.138","","","0.4015","0.4328","","","","","","1.706","","","","has coordinates","215915","2020-10-21","18:00:00",""
"1551387","20.683","","24.6762","0.0001","25.9639","0.0019","117.362","0.003","93.86","0.008","103.065","0.006","11237.4","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C205 H206 N40 O45 -","- C205 H206 N40 O40 -","- C410 H412 N80 O80 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","1.54148","CuKα","","0.2346","0.1719","","","0.4644","0.5136","","","","","","1.35","","","","has coordinates","215916","2020-10-21","18:00:00",""
"1551388","17.5372","0.0014","19.8099","0.0016","33.578","0.003","105.041","0.003","90.103","0.002","108.356","0.003","10648","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C188 H186 Cl0 F N36 O36 -","- C188 H186 F N36 O36 -","- C376 H372 F2 N72 O72 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","1.54178","CuKα","","0.1906","0.1538","","","0.3813","0.4228","","","","","","1.437","","","","has coordinates","215917","2020-10-21","18:00:00",""
"1551389","17.554","0.004","19.747","0.004","33.398","0.007","74.98","0.03","89.62","0.03","71.99","0.03","10600","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C191 H189 Cl6 F2 N35 O36 -","- C191 H189 Cl6 F2 N35 O36 -","- C382 H378 Cl12 F4 N70 O72 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","0.85043","synchrotronradiationESRFFIP","","0.1571","0.1265","","","0.3559","0.379","","","","","","1.527","","","","has coordinates","215918","2020-10-21","18:00:00",""
"1551390","13.52","0.002","14.217","0.002","17.557","0.003","103.495","0.002","103.098","0.002","102.405","0.003","3065.8","0.8","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C65 H65 N5 -","- C65 H65 N5 -","- C130 H130 N10 -","2","1","","Semin Lee; Chun-Hsing Chen; Amar H. Flood","A pentagonal cyanostar macrocycle with cyanostilbene CH donors binds anions and forms dialkylphosphate [3]rotaxanes","Nature Chemistry","2013","5","","704","710","10.1038/nchem.1668","","","0.71073","MoKα","","0.1665","0.113","","0.4339","0.3528","0.4339","","","","","","0.9949","","","","has coordinates,has disorder","215919","2020-10-21","18:00:00",""
"1551391","17.781","0.003","18.62","0.003","31.361","0.005","74.262","0.008","76.314","0.009","66.192","0.007","9048","3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C174 H196 N17 O13.5 P -","- C174 H196 N17 O13.5 P -","- C348 H392 N34 O27 P2 -","2","1","","Semin Lee; Chun-Hsing Chen; Amar H. Flood","A pentagonal cyanostar macrocycle with cyanostilbene CH donors binds anions and forms dialkylphosphate [3]rotaxanes","Nature Chemistry","2013","5","","704","710","10.1038/nchem.1668","","","0.71073","MoKα","","0.2004","0.14","","0.3785","0.3307","0.3785","","","","","","0.9925","","","","has coordinates,has disorder","215920","2020-10-21","18:00:00",""
"1551392","48.517","0.005","48.517","0.005","64.134","0.007","90","","90","","120","","130740","2","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C628.5 H496.5 B115.5 Co12 F81 N117 O54 S27 -","- C586.5 H489.75 B126 Co12 N101.25 -","- C3519 H2938.5 B756 Co72 N607.5 -","6","0.333333","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1767","0.1491","","","0.3782","0.3995","","","","","","1.208","","","","has coordinates,has disorder","215921","2020-10-21","18:00:00",""
"1551393","26.438","0.013","30.374","0.016","31.047","0.01","67.3","0.04","84.86","0.04","78.93","0.07","22569","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C764 H707 B264 Co12 N115 O -","- C744 H693.244 B276 Co12 N117 O -","- C744 H693.244 B276 Co12 N117 O -","1","0.5","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1467","0.1303","","","0.3477","0.3628","","","","","","0.988","","","","has coordinates,has disorder","215922","2020-10-21","18:00:00",""
"1551394","40.2042","0.0009","54.2465","0.0018","40.2935","0.0009","90","","90.408","0.002","90","","87875","4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C618 H355.5 B5.5 Co12 F133 N117 O74 S37 -","- C581 H355.5 B5.5 Co12 F22 N98.5 -","- C2324 H1422 B22 Co48 F88 N394 -","4","1","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1676","0.1492","","","0.3951","0.4133","","","","","","1.289","","","","has coordinates,has disorder","215923","2020-10-21","18:00:00",""
"1551395","17.8908","0.0016","7.3739","0.0006","15.4074","0.0014","90","","90","","90","","2032.6","0.3","170","2","170","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H31 Cl N5 Ni O6 -","- C14 H31 Cl N5 Ni O6 -","- C56 H124 Cl4 N20 Ni4 O24 -","4","1","","Jaeheung Cho; Ritimukta Sarangi; Jamespandi Annaraj; Sung Yeon Kim; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam","Geometric and electronic structure and reactivity of a mononuclear 'side-on' nickel(iii)-peroxo complex","Nature Chemistry","2009","1","","568","572","10.1038/nchem.366","","","0.71073","MoKα","","0.0475","0.0384","","","0.0862","0.0876","","","","","","0.946","","","","has coordinates","215924","2020-10-21","18:00:00",""
"1551396","8.969","0.003","8.969","0.003","14.521","0.011","90","","90","","90","","1168.1","1","273","2","273","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C14 Cl2 N5 Ni O8 -","- C14 Cl2 N5 Ni O8 -","- C28 Cl4 N10 Ni2 O16 -","2","0.125","","Jaeheung Cho; Ritimukta Sarangi; Jamespandi Annaraj; Sung Yeon Kim; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam","Geometric and electronic structure and reactivity of a mononuclear 'side-on' nickel(iii)-peroxo complex","Nature Chemistry","2009","1","","568","572","10.1038/nchem.366","","","0.71073","MoKα","","0.0909","0.0712","","","0.1963","0.2047","","","","","","0.971","","","","has coordinates","215925","2020-10-21","18:00:00",""
"1551397","7.5075","0.0008","15.2605","0.0016","7.4436","0.0008","90","","90","","90","","852.8","0.16","298","2","298","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C14 H10 Fe N6 Pt -","- C14 H10 Fe N6 Pt -","- C28 H20 Fe2 N12 Pt2 -","2","0.125","","Shun Sakaida; Kazuya Otsubo; Osami Sakata; Chulho Song; Akihiko Fujiwara; Masaki Takata; Hiroshi Kitagawa","Crystalline coordination framework endowed with dynamic gate-opening behaviour by being downsized to a thin film","Nature Chemistry","2016","8","","377","383","10.1038/nchem.2469","","","0.71073","MoKα","","0.0072","0.0072","","","0.0173","0.0173","","","","","","1.014","","","","has coordinates","215926","2020-10-21","18:00:00",""
"1551398","10.5311","0.0001","6.7935","0.0001","10.9017","0.0001","90","","112.687","0.001","90","","719.593","0.015","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C34 H36 N4 O6 -","2","1","","David L. Niquille; Douglas A. Hansen; Takahiro Mori; David Fercher; Hajo Kries; Donald Hilvert","Nonribosomal biosynthesis of backbone-modified peptides","Nature Chemistry","2018","10","","282","287","10.1038/nchem.2891","","x-ray","1.54184","CuKα","","0.0266","0.0266","","","0.0705","0.0706","","","","","","1.045","","","","has coordinates","215927","2020-10-21","18:00:00",""
"1551399","7.1977","0.00006","9.65236","0.00005","18.11426","0.00009","90","","90","","90","","1258.48","0.014","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","David L. Niquille; Douglas A. Hansen; Takahiro Mori; David Fercher; Hajo Kries; Donald Hilvert","Nonribosomal biosynthesis of backbone-modified peptides","Nature Chemistry","2018","10","","282","287","10.1038/nchem.2891","","x-ray","1.54184","CuKα","","0.0322","0.0313","","","0.0824","0.0831","","","","","","1.064","","","","has coordinates","215928","2020-10-21","18:00:00",""
"1551400","14.37","0.002","15.135","0.002","19.376","0.003","76.883","0.002","70.416","0.002","65.366","0.002","3590.2","0.9","167","2","167","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H53 B Cl4 F24 N3 P S2 -","- C68 H53 B Cl4 F24 N3 P S2 -","- C136 H106 B2 Cl8 F48 N6 P2 S4 -","2","1","","Scott E. Denmark; Eduard Hartmann; David J. P. Kornfilt; Hao Wang","Mechanistic, crystallographic, and computational studies on the catalytic, enantioselective sulfenofunctionalization of alkenes","Nature Chemistry","2014","6","","1056","1064","10.1038/nchem.2109","","","0.71073","MoKα","","0.1075","0.0746","","","0.2062","0.2315","","","","","","1.046","","","","has coordinates,has disorder","215930","2020-10-21","18:00:00",""
"1551401","12.005","0.0006","12.2783","0.0006","14.5779","0.0007","67.081","0.002","73.258","0.002","88.706","0.002","1885.47","0.16","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H76 Cl12 N6 O2 P2 Sb2 Se2 -","- C56 H60 Cl12 N6 P2 Sb2 Se2 -","- C56 H60 Cl12 N6 P2 Sb2 Se2 -","1","0.5","","Scott E. Denmark; Eduard Hartmann; David J. P. Kornfilt; Hao Wang","Mechanistic, crystallographic, and computational studies on the catalytic, enantioselective sulfenofunctionalization of alkenes","Nature Chemistry","2014","6","","1056","1064","10.1038/nchem.2109","","","1.54178","CuKα","","0.0315","0.03","","","0.0805","0.0816","","","","","","1.047","","","","has coordinates,has disorder","215931","2020-10-21","18:00:00",""
"1551402","35.1918","0.0018","47.1545","0.0018","33.4757","0.001","90","","90","","90","","55551","4","200","2","100","2","","","","","","","synthesis as described","8","P b a m","-P 2 2ab","55","","","","- C448 H415 B7 F6 Fe6 N40 O15 P -","- C508.94 H401 B7.67 F6 Fe6 N40 O15 P -","- C2035.76 H1604 B30.68 F24 Fe24 N160 O60 P4 -","4","0.5","","David A. Leigh; Robin G. Pritchard; Alexander J. Stephens","A Star of David catenane","Nature Chemistry","2013","6","","978","982","10.1038/nchem.2056","","x-ray","0.6889","synchrotron","","0.2373","0.1727","","","0.3425","0.3685","","","","","","1.586","","","","has coordinates,has disorder","215932","2020-10-21","18:00:00",""
"1551403","13.9006","0.0008","16.113","0.0009","17.2618","0.001","90","","93.095","0.001","90","","3860.7","0.4","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 F6 N5 O8 S2 Zn -","- C29 H29 F6 N5 O8 S2 Zn -","- C116 H116 F24 N20 O32 S8 Zn4 -","4","1","","Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith","Superoxide dismutase activity enabled by a redox-active ligand rather than metal","Nature Chemistry","2018","10","","1207","1212","10.1038/s41557-018-0137-1","","","0.71073","MoKα","","0.0582","0.0457","","","0.1033","0.1099","","","","","","1.0523","","","","has coordinates","215933","2020-10-21","18:00:00",""
"1551404","16.6985","0.0016","12.4092","0.0012","17.7201","0.0017","90","","90","","90","","3671.9","0.6","180.45","","180.45","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C31 H34 F6 N6 O9 S2 Zn -","- C31 H34 F6 N6 O9 S2 Zn -","- C124 H136 F24 N24 O36 S8 Zn4 -","4","1","","Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith","Superoxide dismutase activity enabled by a redox-active ligand rather than metal","Nature Chemistry","2018","10","","1207","1212","10.1038/s41557-018-0137-1","","","0.71073","MoKα","","0.0715","0.0591","","","0.1128","0.1226","","","","","","1.0592","","","","has coordinates,has Fobs","215935","2020-10-21","18:00:00",""
"1551405","10.2291","0.0006","11.3937","0.0006","12.5182","0.0007","93.769","0.002","113.627","0.001","103.02","0.002","1282.25","0.13","180","","180","","","","","","","","","4","P -1","-P 1","2","","2-({(2-{bis{(pyridin-2-yl)methyl}amino}ethyl){(pyridin-2-yl)methyl]amino]methyl)benzene-1,4-diol methanol solvate","","- C28 H33 N5 O3 -","- C28 H33 N5 O3 -","- C56 H66 N10 O6 -","2","1","","Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith","Superoxide dismutase activity enabled by a redox-active ligand rather than metal","Nature Chemistry","2018","10","","1207","1212","10.1038/s41557-018-0137-1","","","0.71073","MoKα","","0.0677","0.0588","","","0.1218","0.1294","","","","","","1.0795","","","","has coordinates,has Fobs","215936","2020-10-21","18:00:00",""
"1551413","15.0023","0.0014","6.9693","0.0009","17.7197","0.0015","90","","112.945","0.002","90","","1706.1","0.3","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C21 H15 N3 O3 Pd -","- C21 H15 N3 O3 Pd -","- C84 H60 N12 O12 Pd4 -","4","2","","Van T. Tran; John A. Gurak Jr; Kin S. Yang; Keary M. Engle","Activation of diverse carbon-heteroatom and carbon-carbon bonds via palladium(ii)-catalysed beta-X elimination","Nature Chemistry","2018","10","","1126","1133","10.1038/s41557-018-0110-z","","x-ray","0.71073","MoKα","","0.0498","0.0461","","","0.1074","0.1095","","","","","","1.044","","","","has coordinates","215951","2020-10-21","18:00:00",""
"1551414","10.5489","0.0015","10.6184","0.0015","19.274","0.002","76.628","0.004","84.772","0.005","81.899","0.005","2075.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 N6 O10 Pd2 -","- C46 H38 N6 O10 Pd2 -","- C92 H76 N12 O20 Pd4 -","2","1","","Van T. Tran; John A. Gurak Jr; Kin S. Yang; Keary M. Engle","Activation of diverse carbon-heteroatom and carbon-carbon bonds via palladium(ii)-catalysed beta-X elimination","Nature Chemistry","2018","10","","1126","1133","10.1038/s41557-018-0110-z","","x-ray","0.71073","MoKα","","0.0472","0.0307","","","0.0597","0.065","","","","","","1.025","","","","has coordinates","215952","2020-10-21","18:00:00",""
"1551415","16.0089","0.0007","25.8622","0.001","29.879","0.0011","89.88","0.002","89.852","0.002","72.396","0.002","11791.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C194 H146 Br8 Cl17 Fe6.5 N40 O21 -","- C194 H144 Br8 Cl17 Fe6.5 N40 O21 -","- C388 H288 Br16 Cl34 Fe13 N80 O42 -","2","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.1088","0.0751","","","0.2218","0.2426","","","","","","1.053","","","","has coordinates,has disorder","215953","2020-10-21","18:00:00",""
"1551416","33.0443","0.0019","19.184","0.0011","41.84","0.002","90","","111.339","0.002","90","","24705","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C196 H165 Cl12 Fe6 N35 O24 -","- C196 H165 Cl12 Fe6 N35 O24 -","- C784 H660 Cl48 Fe24 N140 O96 -","4","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.1228","0.0919","","","0.2458","0.2713","","","","","","1.02","","","","has coordinates,has disorder","287876","2023-11-30","07:26:55",""
"1551417","42.114","0.003","54.516","0.003","14.0878","0.0009","90","","107.763","0.004","90","","30802","3","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C192 H150 F24 Fe6 N36 O12 P4 S6 -","- C192 H150 F24 Fe6 N36 O12 P4 S6 -","- C768 H600 F96 Fe24 N144 O48 P16 S24 -","4","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.2051","0.1411","","","0.3353","0.3902","","","","","","1.231","","","","has coordinates","215955","2020-10-21","18:00:00",""
"1551418","59.465","0.005","16.8956","0.0015","62.436","0.005","90","","116.189","0.003","90","","56290","8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C234 H234 Br12.75 Fe6 K0.75 N30 O42.25 -","- C234 H234 Br12.75 Fe6 K0.75 N30 O42.25 -","- C1872 H1872 Br102 Fe48 K6 N240 O338 -","8","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.1586","0.1243","","","0.3352","0.3586","","","","","","1.392","","","","has coordinates,has disorder","215956","2020-10-21","18:00:00",""
"1551419","10.5002","0.0007","10.3073","0.001","16.5868","0.0017","90","","93.853","0.008","90","","1791.1","0.3","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H50 N2 O11 -","- C37 H50 N2 O11 -","- C74 H100 N4 O22 -","2","1","","Russell R. A. Kitson; Chuan-Hsin Chang; Rui Xiong; Huw E. L. Williams; Adrienne L. Davis; William Lewis; Donna L. Dehn; David Siegel; S. Mark Roe; Chrisostomos Prodromou; David Ross; Christopher J. Moody","Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90","Nature Chemistry","2013","5","","307","314","10.1038/nchem.1596","","","1.5418","CuKα","","0.1233","0.0844","","","0.1962","0.2266","","","","","","1.056","","","","has coordinates","215957","2020-10-21","18:00:00",""
"1551420","14.82958","0.000064","14.82958","0.000064","11.773164","0.000051","90","","90","","90","","2589.11","0.019","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C16 H20 Al2 O16 -","- C16 Al2 O22.5 -","- C64 Al8 O90 -","4","0.25","","Sihai Yang; Junliang Sun; Anibal J. Ramirez-Cuesta; Samantha K. Callear; William I. F. David; Daniel P. Anderson; Ruth Newby; Alexander J. Blake; Julia E. Parker; Chiu C. Tang; Martin Schroder","Selectivity and direct visualization of carbon dioxide and sulfur dioxide in a decorated porous host","Nature Chemistry","2012","4","","887","894","10.1038/nchem.1457","","","0.826949","","","","","","","","","","","","","","","","","","has coordinates","215958","2020-10-21","18:00:00",""
"1551421","14.824318","0.000064","14.824318","0.000064","11.805704","0.000051","90","","90","","90","","2594.43","0.019","273","2","273","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C19.2 H8 Al2 O16.4 -","- C19.1862 H8 Al2 O16.3722 -","- C76.7448 H32 Al8 O65.4888 -","4","0.25","","Sihai Yang; Junliang Sun; Anibal J. Ramirez-Cuesta; Samantha K. Callear; William I. F. David; Daniel P. Anderson; Ruth Newby; Alexander J. Blake; Julia E. Parker; Chiu C. Tang; Martin Schroder","Selectivity and direct visualization of carbon dioxide and sulfur dioxide in a decorated porous host","Nature Chemistry","2012","4","","887","894","10.1038/nchem.1457","","","0.826126","","","","","","","","","","","","","","","","","","has coordinates","215959","2020-10-21","18:00:00",""
"1551422","14.84741","0.0001","14.84741","0.0001","11.805642","0.000082","90","","90","","90","","2602.5","0.03","273","2","273","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C16 H8 Al2 O18 S4 -","- C16 H8 Al2 O18 S4 -","- C64 H32 Al8 O72 S16 -","4","0.25","","Sihai Yang; Junliang Sun; Anibal J. Ramirez-Cuesta; Samantha K. Callear; William I. F. David; Daniel P. Anderson; Ruth Newby; Alexander J. Blake; Julia E. Parker; Chiu C. Tang; Martin Schroder","Selectivity and direct visualization of carbon dioxide and sulfur dioxide in a decorated porous host","Nature Chemistry","2012","4","","887","894","10.1038/nchem.1457","","","0.826126","","","","","","","","","","","","","","","","","","has coordinates","215960","2020-10-21","18:00:00",""
"1551423","17.2768","0.0002","17.2768","0.0002","20.4482","0.0003","90","","90","","90","","6103.54","0.13","100","0.2","100","0.2","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O16.8 S8 -","- C80 H104 Ag12 F12 N8 O16.8 S8 -","- C160 H208 Ag24 F24 N16 O33.6 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0448","0.0444","","","0.1177","0.1179","","","","","","1.21","","","","has coordinates,has disorder","215961","2020-10-21","18:00:00",""
"1551424","17.2793","0.0003","17.2793","0.0003","19.8246","0.0006","90","","90","","90","","5919.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C88 H128 Ag12 F12 N8 O12 S8 -","- C88 H128 Ag12 F12 N8 O12 S8 -","- C176 H256 Ag24 F24 N16 O24 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0419","0.0403","","","0.1038","0.1052","","","","","","1.036","","","","has coordinates,has disorder","215962","2020-10-21","18:00:00",""
"1551425","17.1887","0.0003","17.1887","0.0003","20.4219","0.0019","90","","90","","90","","6033.7","0.6","100","0.05","100","0.05","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C84 H108 Ag12 Cl12 F12 N8 O8 S8 -","- C84 H108 Ag12 Cl12 F12 N8 O8 S8 -","- C168 H216 Ag24 Cl24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0827","0.0526","","","0.1107","0.1251","","","","","","1.066","","","","has coordinates,has disorder","215963","2020-10-21","18:00:00",""
"1551426","17.3814","0.0001","17.3814","0.0001","20.0977","0.0003","90","","90","","90","","6071.78","0.1","210","0.1","210","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C82.4 H107.6 Ag12 F12 N9.2 O6 S8 -","- C82.4 H107.6 Ag12 F12 N9.2 O6 S8 -","- C164.8 H215.2 Ag24 F24 N18.4 O12 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0398","0.0338","","","0.0927","0.0966","","","","","","1.072","","","","has coordinates,has disorder","215964","2020-10-21","18:00:00",""
"1551427","17.27","0.002","17.27","0.002","20.04","0.004","90","","90","","90","","5977","1.5","180","0.1","180","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C83 H110 Ag12 F12 N8 O9 S8 -","- C83 H108 Ag12 F12 N8 O9 S8 -","- C166 H216 Ag24 F24 N16 O18 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0599","0.0512","","","0.1183","0.1218","","","","","","1.195","","","","has coordinates,has disorder","215965","2020-10-21","18:00:00",""
"1551428","17.2498","0.0003","17.2498","0.0003","21.101","0.0016","90","","90","","90","","6278.7","0.5","100.3","0.5","100.3","0.5","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C98 H140 Ag12 F12 N8 O8 S8 -","- C98 H140 Ag12 F12 N8 O8 S8 -","- C196 H280 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0723","0.0514","","","0.1061","0.1149","","","","","","1.044","","","","has coordinates,has disorder","215966","2020-10-21","18:00:00",""
"1551429","15.4518","0.0004","15.8621","0.0004","17.9312","0.0004","91.3274","0.0019","95.0852","0.0019","94.9884","0.0019","4358.91","0.19","279.99","0.1","279.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H75 Ag12 F18 N7 O12 S6 -","- C50 H75 Ag12 F17.9997 N7 O12 S6 -","- C100 H150 Ag24 F35.9994 N14 O24 S12 -","2","1","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0447","0.033","","","0.0859","0.0925","","","","","","1.035","","","","has coordinates,has disorder","215967","2020-10-21","18:00:00",""
"1551430","17.34149","0.00013","17.34149","0.00013","20.1671","0.0004","90","","90","","90","","6064.8","0.14","290","0.1","290","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O8 S8 -","- C80 H104 Ag12 F12 N8 O8 S8 -","- C160 H208 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0349","0.0319","","","0.0812","0.0831","","","","","","1.062","","","","has coordinates,has disorder","215968","2020-10-21","18:00:00",""
"1551431","17.29649","0.00013","17.29649","0.00013","19.8753","0.0003","90","","90","","90","","5946.07","0.11","100","0.2","100","0.2","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O8 S8 -","- C80 H104 Ag12 F12 N8 O8 S8 -","- C160 H208 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0653","0.065","","","0.1584","0.1589","","","","","","1.228","","","","has coordinates,has disorder","215969","2020-10-21","18:00:00",""
"1551432","17.33048","0.00014","17.33048","0.00014","20.251","0.0004","90","","90","","90","","6082.3","0.14","289.96","0.15","289.96","0.15","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O8 S8 -","- C80 H104 Ag12 F12 N8 O8 S8 -","- C160 H208 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0335","0.0316","","","0.0846","0.0861","","","","","","1.071","","","","has coordinates,has disorder","215970","2020-10-21","18:00:00",""
"1551433","17.1785","0.0002","17.1785","0.0002","20.8487","0.0005","90","","90","","90","","6152.47","0.18","100","0.1","100","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H136 Ag12 F12 N8 O16 S8 -","- C96 H136 Ag12 F12 N8 O16 S8 -","- C192 H272 Ag24 F24 N16 O32 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.036","0.0359","","","0.0925","0.0925","","","","","","1.251","","","","has coordinates,has disorder","215971","2020-10-21","18:00:00",""
"1551434","17.298","0.0001","17.298","0.0001","20.5393","0.0004","90","","90","","90","","6145.79","0.13","100.01","0.1","100.01","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C104 H128 Ag12 F12 N8 O8 S8 -","- C104 H128 Ag12 F12 N8 O8 S8 -","- C208 H256 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0359","0.0282","","","0.0576","0.06","","","","","","1.051","","","","has coordinates,has disorder","215972","2020-10-21","18:00:00",""
"1551435","17.26652","0.00013","17.26652","0.00013","20.5352","0.0003","90","","90","","90","","6122.21","0.11","100.2","0.6","100.2","0.6","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C94 H120 Ag12 F12 N8 O8 S8 -","- C93 H119 Ag12 F12 N8 O8 S8 -","- C186 H238 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0477","0.0387","","","0.0842","0.0874","","","","","","1.108","","","","has coordinates,has disorder","215973","2020-10-21","18:00:00",""
"1551436","17.3073","0.0006","17.3073","0.0006","20.4745","0.0009","90","","90","","90","","6133","0.4","100.1","","100.1","","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C104 H124 Ag12 F16 N8 O8 S8 -","- C104 H124 Ag12 F16 N8 O8 S8 -","- C208 H248 Ag24 F32 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0214","0.0206","","","0.0559","0.0566","","","","","","1.077","","","","has coordinates,has disorder","215974","2020-10-21","18:00:00",""
"1551437","17.23734","0.00016","17.23734","0.00016","20.5923","0.0004","90","","90","","90","","6118.51","0.14","99.6","0.2","99.6","0.2","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C92 H114 Ag12 Cl2 F12 N8 O8 S8 -","- C90 H113 Ag12 Cl F12 N8 O8 S8 -","- C180 H226 Ag24 Cl2 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0355","0.0334","","","0.0867","0.088","","","","","","1.097","","","","has coordinates,has disorder","215975","2020-10-21","18:00:00",""
"1551438","17.2292","0.0003","17.2292","0.0003","20.5453","0.0009","90","","90","","90","","6098.8","0.3","100.15","0.1","100.15","0.1","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C92 H114 Ag12 Br2 F12 N8 O8 S8 -","- C90 H113 Ag12 Br F12 N8 O8 S8 -","- C180 H226 Ag24 Br2 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.059","0.0433","","","0.0939","0.1008","","","","","","1.05","","","","has coordinates,has disorder","215976","2020-10-21","18:00:00",""
"1551439","17.2105","0.0002","17.2105","0.0002","20.6982","0.0008","90","","90","","90","","6130.8","0.3","100","","100","","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C92 H114 Ag12 F12 I2 N8 O8 S8 -","- C90 H113 Ag12 F12 I N8 O8 S8 -","- C180 H226 Ag24 F24 I2 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0666","0.0552","","","0.151","0.1583","","","","","","1.112","","","","has coordinates,has disorder","215977","2020-10-21","18:00:00",""
"1551440","17.2348","0.0003","17.2348","0.0003","20.8923","0.0009","90","","90","","90","","6205.8","0.3","100.3","0.5","100.3","0.5","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H124 Ag12 F12 N8 O8 S8 -","- C96 H124 Ag12 F12 N8 O8 S8 -","- C192 H248 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0725","0.0559","","","0.1293","0.1387","","","","","","1.083","","","","has coordinates,has disorder","215978","2020-10-21","18:00:00",""
"1551441","17.2529","0.0003","17.2529","0.0003","20.6795","0.0007","90","","90","","90","","6155.5","0.3","100","0.1","100","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H124 Ag12 F12 N8 O8 S8 -","- C96 H124 Ag12 F12 N8 O8 S8 -","- C192 H248 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0446","0.0442","","","0.1201","0.1204","","","","","","1.149","","","","has coordinates,has disorder","215979","2020-10-21","18:00:00",""
"1551442","17.2603","0.0001","17.2603","0.0001","20.5849","0.0005","90","","90","","90","","6132.61","0.16","100","0.1","100","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H124 Ag12 F12 N8 O8 S8 -","- C92 H124 Ag12 F12 N8 O8 S8 -","- C184 H248 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0248","0.0223","","","0.0537","0.0545","","","","","","1.031","","","","has coordinates,has disorder","215980","2020-10-21","18:00:00",""
"1551446","12.1881","0.0003","24.5629","0.0006","12.5908","0.0003","90","","117.009","0.002","90","","3358.27","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 Cl N7 O8 -","- C31 H44 Cl N7 O8 -","- C124 H176 Cl4 N28 O32 -","4","1","","Hongyu Li; Hennie Valkenier; Luke W. Judd; Peter R. Brotherhood; Sabir Hussain; James A. Cooper; Ondrej Jurcek; Hazel A. Sparkes; David N. Sheppard; Anthony P. Davis","Efficient, non-toxic anion transport by synthetic carriers in cells and epithelia","Nature Chemistry","2016","8","","24","32","10.1038/nchem.2384","","","0.71073","MoKα","","0.0706","0.0433","","","0.0889","0.0994","","","","","","1.019","","","","has coordinates","216014","2020-10-21","18:00:00",""
"1551447","21.255","0.0007","5.7151","0.001","18.8051","0.0006","90","","124.093","0.005","90","","1891.7","0.4","150","","150","","","","","","","",".","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Br4 -","- C20 H10 Br4 -","- C80 H40 Br16 -","4","0.5","","Niko Pavlicek; Przemyslaw Gawel; Daniel R. Kohn; Zsolt Majzik; Yaoyao Xiong; Gerhard Meyer; Harry L. Anderson; Leo Gross","Polyyne formation via skeletal rearrangement induced by atomic manipulation","Nature Chemistry","2018","10","","853","858","10.1038/s41557-018-0067-y","","","1.54184","CuKα","","0.0497","0.0493","","0.1224","0.1216","0.1224","","","","","","1.0902","","","","has coordinates,has Fobs","216015","2020-10-21","18:00:00",""
"1551448","12.0069","0.0004","3.9729","0.0002","22.0798","0.0007","90","","100.208","0.003","90","","1036.58","0.07","150","","150","","","","","","","",".","3","P 1 2/c 1","-P 2yc","13","","","","- C24 H10 Br4 -","- C24 H10 Br4 -","- C48 H20 Br8 -","2","0.5","","Niko Pavlicek; Przemyslaw Gawel; Daniel R. Kohn; Zsolt Majzik; Yaoyao Xiong; Gerhard Meyer; Harry L. Anderson; Leo Gross","Polyyne formation via skeletal rearrangement induced by atomic manipulation","Nature Chemistry","2018","10","","853","858","10.1038/s41557-018-0067-y","","","1.54184","CuKα","","0.0525","0.0499","","0.1282","0.1222","0.1282","","","","","","1.0504","","","","has coordinates,has Fobs","216016","2020-10-21","18:00:00",""
"1551449","10.6051","0.0007","4.9313","0.0003","23.4977","0.0016","90","","98.092","0.007","90","","1216.62","0.14","150","","150","","","","","","","",".","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H10 Br4 -","- C28 H10 Br4 -","- C56 H20 Br8 -","2","0.5","","Niko Pavlicek; Przemyslaw Gawel; Daniel R. Kohn; Zsolt Majzik; Yaoyao Xiong; Gerhard Meyer; Harry L. Anderson; Leo Gross","Polyyne formation via skeletal rearrangement induced by atomic manipulation","Nature Chemistry","2018","10","","853","858","10.1038/s41557-018-0067-y","","","1.54184","CuKα","","0.0734","0.0596","","0.1766","0.1585","0.1761","","","","","","1.1965","","","","has coordinates,has disorder,has Fobs","216017","2020-10-21","18:00:00",""
"1551450","9.5942","0.0014","27.26","0.004","12.3336","0.0018","90","","103.662","0.004","90","","3134.4","0.8","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 -","- C46 H30 -","- C184 H120 -","4","1","","Shane R. Yost; Jiye Lee; Mark W. B. Wilson; Tony Wu; David P. McMahon; Rebecca R. Parkhurst; Nicholas J. Thompson; Daniel N. Congreve; Akshay Rao; Kerr Johnson; Matthew Y. Sfeir; Moungi G. Bawendi; Timothy M. Swager; Richard H. Friend; Marc A. Baldo; Troy Van Voorhis","A transferable model for singlet-fission kinetics","Nature Chemistry","2014","6","","492","497","10.1038/nchem.1945","","","0.71073","MoKα","","0.0582","0.0461","","","0.1225","0.1314","","","","","","1.046","","","","has coordinates","216018","2020-10-21","18:00:00",""
"1551451","9.4146","0.0016","10.2146","0.0018","10.8759","0.0019","86.298","0.003","79.729","0.003","65.456","0.003","936.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H30 Cl4 S2 -","- C50 H30 Cl4 S2 -","- C50 H30 Cl4 S2 -","1","0.5","","Shane R. Yost; Jiye Lee; Mark W. B. Wilson; Tony Wu; David P. McMahon; Rebecca R. Parkhurst; Nicholas J. Thompson; Daniel N. Congreve; Akshay Rao; Kerr Johnson; Matthew Y. Sfeir; Moungi G. Bawendi; Timothy M. Swager; Richard H. Friend; Marc A. Baldo; Troy Van Voorhis","A transferable model for singlet-fission kinetics","Nature Chemistry","2014","6","","492","497","10.1038/nchem.1945","","","0.71073","MoKα","","0.0889","0.0492","","","0.1023","0.1177","","","","","","1.042","","","","has coordinates,has disorder","216019","2020-10-21","18:00:00",""
"1551452","14.8532","0.0014","17.3921","0.0015","7.2295","0.0007","90","","90.676","0.002","90","","1867.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 S2 -","- C26 H16 S2 -","- C104 H64 S8 -","4","1","","Shane R. Yost; Jiye Lee; Mark W. B. Wilson; Tony Wu; David P. McMahon; Rebecca R. Parkhurst; Nicholas J. Thompson; Daniel N. Congreve; Akshay Rao; Kerr Johnson; Matthew Y. Sfeir; Moungi G. Bawendi; Timothy M. Swager; Richard H. Friend; Marc A. Baldo; Troy Van Voorhis","A transferable model for singlet-fission kinetics","Nature Chemistry","2014","6","","492","497","10.1038/nchem.1945","","","0.71073","MoKα","","0.0628","0.0453","","","0.1199","0.1301","","","","","","1.046","","","","has coordinates,has disorder","216020","2020-10-21","18:00:00",""
"1551453","14.8228","0.00013","14.8228","0.00013","11.7919","0.0001","90","","90","","90","","2590.86","0.04","","","273","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","NOTT-300-4C2H2","- C24 H16 Al2 O10 -","- C24 H16 Al2 O10 -","- C96 H64 Al8 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","x-ray","0.826126","synchrotron","","","","","","","","","0.05","","","","1.73","","","","has coordinates","216022","2020-10-21","18:00:00",""
"1551454","14.80469","0.000033","14.80469","0.000033","11.801726","0.000035","90","","90","","90","","2586.69","0.011","","","273","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","NOTT-300-2.5C2H4","- C21 H18 Al2 O10 -","- C21.0688 H18.1376 Al2 O10 -","- C84.2752 H72.5504 Al8 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","x-ray","0.826126","synchrotron","","","","","","","","","0.05","","","","2.74","","","","has coordinates","216023","2020-10-21","18:00:00",""
"1551455","14.785355","0.000083","14.785355","0.000083","11.77396","0.00015","90","","90","","90","","2573.87","0.04","","","100","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","NOTT-300 C2D2","- C21.4 H8 Al2 D5.4 O10 -","- C21.0068 H8 Al2 D5.0068 O10 -","- C84.0272 H32 Al8 D20.0272 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","neutron","","ToF","","","","","","","","","0.006","","","","3.31","","","","has coordinates","216024","2020-10-21","18:00:00",""
"1551456","14.794232","0.000096","14.794232","0.000096","11.77851","0.00018","90","","90","","90","","2577.95","0.05","","","10","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","NOTT-300 C2D4","- C19.6 H8 Al2 D7.2 O10 -","- C19.6416 H8 Al2 D7.2832 O10 -","- C78.5664 H32 Al8 D29.1328 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","neutron","","ToF","","","","","","","","","0.015","","","","3.83","","","","has coordinates","216025","2020-10-21","18:00:00",""
"1551457","14.79549","0.00011","14.79549","0.00011","11.77847","0.0002","90","","90","","90","","2578.38","0.05","","","10","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","NOTT-300 C2D6","- C18.6 H8 Al2 D6.8 O10 -","- C18.7776 H8 Al2 D8.3328 O10 -","- C75.1104 H32 Al8 D33.3312 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","neutron","","ToF","","","","","","","","","0.014","","","","4.17","","","","has coordinates","216026","2020-10-21","18:00:00",""
"1551478","38.1839","0.0002","38.1839","0.0002","57.9645","0.0004","90","","90","","120","","73190.3","0.7","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","tris(iso-nicotinoyl)cyclotriguaiacyclene copper bromide","","- C266 H240 Br12 Cu6 N18 O63 S7 -","- C266 H240 Br12 Cu6 N18 O63 S7 -","- C2394 H2160 Br108 Cu54 N162 O567 S63 -","9","0.5","","Flora L. Thorp-Greenwood; Alexander N. Kulak; Michaele J. Hardie","An infinite chainmail of M6L6 metallacycles featuring multiple Borromean links","Nature Chemistry","2015","7","","526","531","10.1038/nchem.2259","","","1.54184","CuKα","","0.1369","0.1302","","","0.3568","0.3698","","","","","","1.808","","","","has coordinates,has disorder","216050","2020-10-21","18:00:00",""
"1551479","14.2786","0.0006","20.4647","0.0009","20.6937","0.0009","60.5","0.001","72.537","0.001","85.477","0.001","5003","0.4","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H14 F12 -","- C44 H14 F12 -","- C176 H56 F48 -","4","2","","Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King","A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization","Nature Chemistry","2014","6","","774","778","10.1038/nchem.2008","","","0.71073","MoKα","","0.0863","0.0587","","","0.167","0.1776","","","","","","1.076","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1551480","14.115","0.004","19.247","0.005","19.52","0.005","64.137","0.004","72.069","0.004","84.957","0.004","4533","2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C88 H28 F24 -","- C88 H28 F24 -","- C176 H56 F48 -","2","1","","Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King","A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization","Nature Chemistry","2014","6","","774","778","10.1038/nchem.2008","","","0.71073","MoKα","","0.2101","0.1037","","","0.2428","0.2737","","","","","","1.057","","","","has coordinates","216052","2020-10-21","18:00:00",""
"1551481","14.237","0.002","17.662","0.003","18.188","0.003","70.106","0.002","75.162","0.003","84.727","0.003","4157.1","1.1","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C88 H28 F24 -","- C88 H28 F24 -","- C176 H56 F48 -","2","1","","Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King","A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization","Nature Chemistry","2014","6","","774","778","10.1038/nchem.2008","","","0.71073","MoKα","","0.1675","0.0929","","","0.2547","0.2923","","","","","","1.035","","","","has coordinates","216053","2020-10-21","18:00:00",""
"1551482","9.014","0.002","14.577","0.003","15.651","0.004","94.34","0.003","93.101","0.004","96.984","0.004","2031.2","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H14 F12 -","- C44 H14 F12 -","- C88 H28 F24 -","2","1","","Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King","A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization","Nature Chemistry","2014","6","","774","778","10.1038/nchem.2008","","","0.71073","MoKα","","0.1629","0.0882","","","0.2433","0.2789","","","","","","1.012","","","","has coordinates","216054","2020-10-21","18:00:00",""
"1551483","25.4839","0.0007","33.5954","0.001","37.4035","0.001","89.22","0.002","83.44","0.002","80.438","0.002","31370.6","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C336 H264 F96 Fe8 N96 Sb16 -","- C336 H264 F26.7 Fe8 N96 Sb4.45 -","- C672 H528 F53.4 Fe16 N192 Sb8.9 -","2","1","","Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke","Signal transduction in a covalent post-assembly modification cascade","Nature Chemistry","2017","9","","1276","1281","10.1038/nchem.2839","","","0.6889","synchrotron","","0.1772","0.1408","","","0.3916","0.4176","","","","","","1.137","","","","has coordinates,has disorder","216055","2020-10-21","18:00:00",""
"1551484","22.2379","0.001","22.4501","0.0009","30.1489","0.0016","69.385","0.002","86.301","0.003","78.614","0.002","13810.4","1.1","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C232 H194.5 F48 Fe4 N42.5 O24.5 P8 -","- C232 H194.5 F42 Fe4 N42.5 O24.5 P7 -","- C464 H389 F84 Fe8 N85 O49 P14 -","2","1","","Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke","Signal transduction in a covalent post-assembly modification cascade","Nature Chemistry","2017","9","","1276","1281","10.1038/nchem.2839","","","1.54178","CuKα","","0.1689","0.1232","","","0.3327","0.3803","","","","","","1.261","","","","has coordinates,has disorder","216056","2020-10-21","18:00:00",""
"1551485","53.942","0.002","28.539","0.0007","41.2325","0.0015","90","","90.231","0.003","90","","63475","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C279 H244.5 As8 F48 Fe4 N37.5 O24 -","- C279 H244.5 As6.8 F40.8 Fe4 N37.5 O24 -","- C2232 H1956 As54.4 F326.4 Fe32 N300 O192 -","8","1","","Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke","Signal transduction in a covalent post-assembly modification cascade","Nature Chemistry","2017","9","","1276","1281","10.1038/nchem.2839","","","0.6889","synchrotron","","0.1627","0.1431","","","0.372","0.3909","","","","","","1.114","","","","has coordinates,has disorder","216057","2020-10-21","18:00:00",""
"1551486","6.3339","0.001","15.5864","0.0014","17.6362","0.0017","88.14","0.008","83.243","0.011","78.306","0.01","1693","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 F4 I2 N6 O4 -","- C30 H32 F4 I2 N6 O4 -","- C60 H64 F8 I4 N12 O8 -","2","1","","Lorenzo Meazza; Jonathan A. Foster; Katharina Fucke; Pierangelo Metrangolo; Giuseppe Resnati; Jonathan W. Steed","Halogen-bonding-triggered supramolecular gel formation","Nature Chemistry","2013","5","","42","47","10.1038/nchem.1496","","","0.7107","MoKα","","0.1319","0.0689","","","0.1146","0.1529","","","","","","1.027","","","","has coordinates","216058","2020-10-21","18:00:00",""
"1551487","4.6214","0.0007","9.4623","0.0015","28.332","0.005","90","","91.188","0.003","90","","1238.7","0.3","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 F4 I2 N6 O2 -","- C22 H20 F4 I2 N6 O2 -","- C44 H40 F8 I4 N12 O4 -","2","0.5","","Lorenzo Meazza; Jonathan A. Foster; Katharina Fucke; Pierangelo Metrangolo; Giuseppe Resnati; Jonathan W. Steed","Halogen-bonding-triggered supramolecular gel formation","Nature Chemistry","2013","5","","42","47","10.1038/nchem.1496","","","0.7107","MoKα","","0.051855","0.043799","","","","0.070696","","","","","","1.28163","","","","has coordinates","216059","2020-10-21","18:00:00",""
"1551488","19.934","0.004","10.691","0.002","29.55","0.007","90","","101.58","0.003","90","","6169","2","123","2","123","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C57 H33 F10 N6 O3 -","- C57 H33 F10 N6 O3 -","- C228 H132 F40 N24 O12 -","4","1","","Jackson D. Megiatto Jr; Dalvin D. Mendez-Hernandez; Marely E. Tejeda-Ferrari; Anne-Lucie Teillout; Manuel J. Llansola-Portoles; Gerdenis Kodis; Oleg G. Poluektov; Tijana Rajh; Vladimiro Mujica; Thomas L. Groy; Devens Gust; Thomas A. Moore; Ana L. Moore","A bioinspired redox relay that mimics radical interactions of the Tyr-His pairs of photosystem II","Nature Chemistry","2014","6","","423","428","10.1038/nchem.1862","","","0.71073","MoKα","","0.1501","0.0774","","","0.1946","0.2276","","","","","","0.978","","","","has coordinates","216060","2020-10-21","18:00:00",""
"1551489","10.181","0.002","16.443","0.003","18.458","0.005","72.977","0.017","83.516","0.018","72.387","0.015","2815.1","1.1","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H34 Cl8 -","- C84 H34 Cl8 -","- C168 H68 Cl16 -","2","1","","Katsuaki Kawasumi; Qianyan Zhang; Yasutomo Segawa; Lawrence T. Scott; Kenichiro Itami","A grossly warped nanographene and the consequences of multiple odd-membered-ring defects","Nature Chemistry","2013","5","","739","744","10.1038/nchem.1704","","","0.71075","MoKα","","0.2215","0.1222","","","0.3111","0.3814","","","","","","1.051","","","","has coordinates,has disorder","288183","2023-12-08","14:42:10",""
"1551490","17.444","0.003","10.8686","0.0019","12.1775","0.0019","90","","92.014","0.006","90","","2307.3","0.7","100","2","100.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 O2 -","- C32 H28 O2 -","- C128 H112 O8 -","4","1","","Paul J. Evans; Evan R. Darzi; Ramesh Jasti","Efficient room-temperature synthesis of a highly strained carbon nanohoop fragment of buckminsterfullerene","Nature Chemistry","2014","6","","404","408","10.1038/nchem.1888","","","1.54178","CuKα","","0.0575","0.0523","","","0.0968","0.0984","","","","","","1.05","","","","has coordinates","216062","2020-10-21","18:00:00",""
"1551491","9.8337","0.0002","11.6263","0.0003","35.5613","0.0008","90","","90","","90","","4065.71","0.16","100","2","100","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C30 H20 -","- C30 H20 -","- C240 H160 -","8","1","","Paul J. Evans; Evan R. Darzi; Ramesh Jasti","Efficient room-temperature synthesis of a highly strained carbon nanohoop fragment of buckminsterfullerene","Nature Chemistry","2014","6","","404","408","10.1038/nchem.1888","","","1.54178","CuKα","","0.0488","0.0486","","","0.1279","0.1281","","","","","","1.102","","","","has coordinates","216063","2020-10-21","18:00:00",""
"1551498","6.90351","0.00004","6.97713","0.00004","10.82548","0.00006","90","","90","","90","","521.428","0.005","","","296","","","","","","","","","5","I m m m","-I 2 2","71","","","CrCl2pyz2","- C8 H16 Cl2 Cr N4 -","- C8 H16 Cl2 Cr N4 -","- C16 H32 Cl4 Cr2 N8 -","2","0.125","","Kasper S. Pedersen; Panagiota Perlepe; Michael L. Aubrey; Daniel N. Woodruff; Sebastian E. Reyes-Lillo; Anders Reinholdt; Laura Voigt; Zheshen Li; Kasper Borup; Mathieu Rouzieres; Dumitru Samohvalov; Fabrice Wilhelm; Andrei Rogalev; Jeffrey B. Neaton; Jeffrey R. Long; Rodolphe Clerac","Formation of the layered conductive magnet CrCl2(pyrazine)2 through redox-active coordination chemistry","Nature Chemistry","2018","10","","1056","1061","10.1038/s41557-018-0107-7","powder diffraction","x-ray","0.82626","synchrotron","","","","","","","","","","","","","4.9211","","","","has coordinates","216099","2020-10-21","18:00:00",""
"1551499","13.4559","0.0003","15.142","0.0004","23.1601","0.0006","90","","93.2","0.001","90","","4711.5","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20.5 Cl3 Cr N4 O4.25 -","- C20 H20.5 Cl3 Cr N4 O4.25 -","- C160 H164 Cl24 Cr8 N32 O34 -","8","2","","Kasper S. Pedersen; Panagiota Perlepe; Michael L. Aubrey; Daniel N. Woodruff; Sebastian E. Reyes-Lillo; Anders Reinholdt; Laura Voigt; Zheshen Li; Kasper Borup; Mathieu Rouzieres; Dumitru Samohvalov; Fabrice Wilhelm; Andrei Rogalev; Jeffrey B. Neaton; Jeffrey R. Long; Rodolphe Clerac","Formation of the layered conductive magnet CrCl2(pyrazine)2 through redox-active coordination chemistry","Nature Chemistry","2018","10","","1056","1061","10.1038/s41557-018-0107-7","","x-ray","1.34139","GaKα","","0.0332","0.0317","","","0.0812","0.0825","","","","","","1.074","","","","has coordinates,has disorder","216100","2020-10-21","18:00:00",""
"1551500","47.726","0.005","47.726","0.005","39.415","0.008","90","","90","","120","","77750","2","100","","100","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C384 H306 F30 Fe6 N36 O24 P5 -","- C384 F29.9994 Fe6 N36 O24 P4.9999 -","- C2304 F179.996 Fe36 N216 O144 P29.9994 -","6","0.333333","","Liang Zhang; Alexander J. Stephens; Alina L. Nussbaumer; Jean-Francois Lemonnier; Pia Jurcek; Inigo J. Vitorica-Yrezabal; David A. Leigh","Stereoselective synthesis of a composite knot with nine crossings","Nature Chemistry","2018","10","","1083","1088","10.1038/s41557-018-0124-6","","x-ray","0.6889","Synchrotron","","0.343","0.2678","","","0.5742","0.6393","","","","","","2.608","","","","has coordinates,has disorder","216102","2020-10-21","18:00:00",""
"1551501","7.2806","0.0005","18.2421","0.0011","10.1075","0.0006","90","","94.886","0.001","90","","1337.53","0.15","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cu-SIP-3","","","- C8 H9 Cu2 O11 S -","- C8 H9 Cu2 O11 S -","- C32 H36 Cu8 O44 S4 -","4","1","","Bo Xiao; Peter J. Byrne; Paul S. Wheatley; David S. Wragg; Xuebo Zhao; Ashleigh J. Fletcher; K. Mark Thomas; Lars Peters; John S. O. Evans; John E. Warren; Wuzong Zhou; Russell E. Morris","Chemically blockable transformation and ultraselective low-pressure gas adsorption in a non-porous metal organic framework","Nature Chemistry","2009","1","","289","294","10.1038/nchem.254","","","0.7103","synchrotron","","0.0574","0.0423","","","0.1034","0.1126","","","","","","1.037","","","","has coordinates","216103","2020-10-21","18:00:00",""
"1551502","13.833","0.006","19.434","0.012","12.102","0.007","90","","139.16","0.03","90","","2128","2","500","2","500","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cu-SIP-3","","","- C16 H6 Cu4 O16 S2 -","- C16 H6 Cu4 O16 S2 -","- C64 H24 Cu16 O64 S8 -","4","1","","Bo Xiao; Peter J. Byrne; Paul S. Wheatley; David S. Wragg; Xuebo Zhao; Ashleigh J. Fletcher; K. Mark Thomas; Lars Peters; John S. O. Evans; John E. Warren; Wuzong Zhou; Russell E. Morris","Chemically blockable transformation and ultraselective low-pressure gas adsorption in a non-porous metal organic framework","Nature Chemistry","2009","1","","289","294","10.1038/nchem.254","","","0.6911","Synchrotron","","0.1176","0.0512","","","0.121","0.1551","","","","","","1.04","","","","has coordinates","216104","2020-10-21","18:00:00",""
"1551503","7.492","0.004","18.289","0.009","10.942","0.006","90","","90.778","0.007","90","","1499.1","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cu-SIP-3-pyridine","","","- C13 H10 Cu2 N O9 S -","- C13 H10 Cu2 N O9 S -","- C52 H40 Cu8 N4 O36 S4 -","4","1","","Bo Xiao; Peter J. Byrne; Paul S. Wheatley; David S. Wragg; Xuebo Zhao; Ashleigh J. Fletcher; K. Mark Thomas; Lars Peters; John S. O. Evans; John E. Warren; Wuzong Zhou; Russell E. Morris","Chemically blockable transformation and ultraselective low-pressure gas adsorption in a non-porous metal organic framework","Nature Chemistry","2009","1","","289","294","10.1038/nchem.254","","","0.6942","Synchrotron","","0.121","0.0734","","","0.1869","0.2068","","","","","","1.074","","","","has coordinates","216105","2020-10-21","18:00:00",""
"1551504","9.8867","0.0006","25.51","0.0012","24.7353","0.0014","90","","90.22","0.02","90","","6238.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61.5 H F S3 -","- C61.5 F S3 -","- C492 F8 S24 -","8","2","","Andrea Krachmalnicoff; Richard Bounds; Salvatore Mamone; Shamim Alom; Maria Concistre; Benno Meier; Karel Kouril; Mark E. Light; Mark R. Johnson; Stephane Rols; Anthony J. Horsewill; Anna Shugai; Urmas Nagel; Toomas Room; Marina Carravetta; Malcolm H. Levitt; Richard J. Whitby","The dipolar endofullerene HF@C60","Nature Chemistry","2016","8","","953","957","10.1038/nchem.2563","","x-ray","0.71073","MoKα","","0.1682","0.0878","","","0.1911","0.2368","","","","","","1.017","","","","has coordinates","275434","2022-05-16","05:31:56",""
"1551505","27.2747","0.0012","38.8257","0.0017","42.232","0.002","90","","108.089","0.003","90","","42512","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","M8L12 cubic cage with benzisoxazole guest","","","- C367 H317 B16 Co8 F64 N73 O25 -","- C367 H317 B12 Co8 F48 N73 O25 -","- C1468 H1268 B48 Co32 F192 N292 O100 -","4","0.5","","William Cullen; M. Cristina Misuraca; Christopher A. Hunter; Nicholas H. Williams; Michael D. Ward","Highly efficient catalysis of the Kemp elimination in the cavity of a cubic coordination cage","Nature Chemistry","2016","8","","231","236","10.1038/nchem.2452","","","0.71073","MoKα","","0.2881","0.1561","","","0.4039","0.4535","","","","","","1.104","","","","has coordinates","216108","2020-10-21","18:00:00",""
"1551506","9.0184","0.0008","13.0497","0.0011","13.4511","0.0012","70.619","0.009","71.953","0.008","71.335","0.009","1377.6","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H24 N6 O4 Zn -","- C8 H24 N6 O4 Zn -","- C32 H96 N24 O16 Zn4 -","4","2","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0923","0.0881","","","0.2348","0.2385","","","","","","0.902","","","","has coordinates","216109","2020-10-21","18:00:00",""
"1551507","8.9542","0.0016","8.9542","0.0016","10.433","0.0019","90","","90","","120","","724.4","0.2","288","2","288","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H24 N6 O4 Zn -","- C8 H24 N6 O3.9996 Zn -","- C16 H48 N12 O7.9992 Zn2 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0429","0.0425","","","0.1263","0.1269","","","","","","1.217","","","","has coordinates","216110","2020-10-21","18:00:00",""
"1551508","9.257","0.002","14.963","0.003","9.967","0.002","90","","94.028","0.005","90","","1377.1","0.5","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H23.5 N6 Ni O4 -","- C8 H24 N6 Ni O4 -","- C32 H96 N24 Ni4 O16 -","4","1","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0486","0.0466","","","0.1328","0.137","","","","","","1.14","","","","has coordinates","216111","2020-10-21","18:00:00",""
"1551509","8.866","0.003","8.866","0.003","10.486","0.003","90","","90","","120","","713.8","0.4","263","2","263","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O3.9996 -","- C16 H48 N12 Ni2 O7.9992 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71073","MoKα","","0.0656","0.0652","","","0.1495","0.1506","","","","","","1.365","","","","has coordinates,has disorder","216112","2020-10-21","18:00:00",""
"1551510","9.272","0.002","14.975","0.003","9.964","0.002","90","","93.966","0.005","90","","1380.2","0.5","263","2","263","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O4 -","- C32 H96 N24 Ni4 O16 -","4","1","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0528","0.0505","","","0.1524","0.1565","","","","","","1.243","","","","has coordinates","216113","2020-10-21","18:00:00",""
"1551511","8.875","0.003","8.875","0.003","10.488","0.003","90","","90","","120","","715.4","0.4","283","2","283","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O3.9996 -","- C16 H48 N12 Ni2 O7.9992 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0557","0.0555","","","0.1776","0.1779","","","","","","1.654","","","","has coordinates","216114","2020-10-21","18:00:00",""
"1551512","9.283","0.012","14.938","0.019","9.972","0.012","90","","93.88","0.03","90","","1380","3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 D12 N6 Ni O4 -","- C8 H12 D12 N6 Ni O4 -","- C32 H48 D48 N24 Ni4 O16 -","4","1","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.1391","0.0846","","","0.1975","0.2279","","","","","","1.063","","","","has coordinates","216115","2020-10-21","18:00:00",""
"1551513","8.882","0.009","8.882","0.009","10.504","0.01","90","","90","","120","","717.6","1.2","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H12 D12 N6 Ni O4 -","- C8 H12 D12 N6 Ni O3.9996 -","- C16 H24 D24 N12 Ni2 O7.9992 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0384","0.031","","","0.0688","0.0733","","","","","","1.017","","","","has coordinates","216116","2020-10-21","18:00:00",""
"1551538","11.726","0.003","17.511","0.005","17.758","0.005","90","","90","","90","","3646.3","1.7","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H34 Cl F3 N2 -","- C45 H34 Cl F3 N2 -","- C180 H136 Cl4 F12 N8 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.0767","0.0621","","","0.1447","0.1553","","","","","","1.061","","","","has coordinates","288183","2023-12-08","14:42:20",""
"1551539","11.095","0.003","15.395","0.005","16.048","0.007","86.404","0.019","88.39","0.02","71.517","0.018","2594.5","1.6","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H57 Cl3 F3 N O2 Si -","- C56 H57 Cl3 F3 N O2 Si -","- C112 H114 Cl6 F6 N2 O4 Si2 -","2","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.1163","0.0888","","","0.2479","0.2685","","","","","","1.042","","","","has coordinates,has disorder","288183","2023-12-08","14:42:30",""
"1551540","7.973","0.0018","24.778","0.005","15.926","0.004","90","","101.836","0.005","90","","3079.4","1.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 F3 O -","- C40 H33 F3 O -","- C160 H132 F12 O4 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.1146","0.073","","","0.1845","0.2393","","","","","","1.098","","","","has coordinates","288183","2023-12-08","14:42:35",""
"1551541","8.6566","0.0007","19.9388","0.0016","22.106","0.002","90","","90","","90","","3815.5","0.6","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H41 F3 O -","- C50 H41 F3 O -","- C200 H164 F12 O4 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.0602","0.0507","","","0.1289","0.1399","","","","","","1.085","","","","has coordinates","288183","2023-12-08","14:42:48",""
"1551542","16.718","0.004","12.216","0.003","16.184","0.004","90","","99","0.006","90","","3264.5","1.4","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H33 F3 N2 O -","- C40 H33 F3 N2 O -","- C160 H132 F12 N8 O4 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.117","0.0699","","","0.1675","0.2285","","","","","","1.085","","","","has coordinates,has disorder","288183","2023-12-08","14:42:52",""
"1551543","29.47019","0.00018","17.3534","0.00007","38.00346","0.00016","90","","103.98","0.0007","90","","18859.6","0.17","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C276 H174 Co6 P6 Te8 -","- C276.12 H174 Co6 P6 Te8 -","- C1104.48 H696 Co24 P24 Te32 -","4","0.5","","Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy","Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal","Nature Chemistry","2017","9","","1170","1174","10.1038/nchem.2844","","x-ray","0.71073","MoKα","","0.0594","0.0472","","","0.1156","0.1246","","","","","","1.066","","","","has coordinates,has disorder","216153","2020-10-21","18:00:00",""
"1551544","16.9985","0.0004","16.9985","0.0004","55.684","0.0015","90","","90","","120","","13934.2","0.6","100","","100","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C234 H126 Co6 P6 Te8 -","- C234 H126 Co6 P6 Te8 -","- C702 H378 Co18 P18 Te24 -","3","0.0833333","","Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy","Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal","Nature Chemistry","2017","9","","1170","1174","10.1038/nchem.2844","","x-ray","0.71073","MoKα","","0.1076","0.0933","","","0.2857","0.3068","","","","","","1.066","","","","has coordinates,has disorder","216154","2020-10-21","18:00:00",""
"1551545","26.5695","0.001","17.056","0.0005","21.1219","0.0008","90","","104.26","0.004","90","","9276.9","0.6","102","4","102","4","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C246 H126 Co6 N8 P6 Te8 -","- C246 H126 Co6 N8 P6 Te8 -","- C492 H252 Co12 N16 P12 Te16 -","2","0.25","","Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy","Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal","Nature Chemistry","2017","9","","1170","1174","10.1038/nchem.2844","","x-ray","1.54184","CuKα","","0.1162","0.1048","","","0.2802","0.2957","","","","","","1.19","","","","has coordinates,has disorder","216155","2020-10-21","18:00:00",""
"1551546","9.414","0.0002","9.4615","0.0002","23.4843","0.0005","87.8308","0.0017","79.2432","0.0018","63.911","0.002","1843.3","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H54 N2 O3 -","- C43 H54 N2 O3 -","- C86 H108 N4 O6 -","2","1","","Lixu Yang; Catherine Adam; Gary S. Nichol; Scott L. Cockroft","How much do van der Waals dispersion forces contribute to molecular recognition in solution?","Nature Chemistry","2013","5","","1006","1010","10.1038/nchem.1779","","","1.54184","CuKα","","0.0675","0.0656","","","0.1689","0.1706","","","","","","1.038","","","","has coordinates,has disorder","216156","2020-10-21","18:00:00",""
"1551824","46.241","0.002","46.241","0.002","46.241","0.002","90","","90","","90","","98874","7","150","2","150","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","diaquodinitrotetra{tris[3-(3-pyridyl)benzoyl]cyclotriguaiacylene} tetrapalladium(II) nitrate dimethylsulfoxide solvate","","- C252 H220 N20 O68 Pd4 S6 -","- C252 H216 N14 O50 Pd4 S6 -","- C3024 H2592 N168 O600 Pd48 S72 -","12","0.25","","Tanya K. Ronson; Julie Fisher; Lindsay P. Harding; Pierre J. Rizkallah; John E. Warren; Michaele J. Hardie","Stellated polyhedral assembly of a topologically complicated Pd4L4 'Solomon cube'","Nature Chemistry","2009","1","","212","216","10.1038/nchem.213","","","0.6939","synchrotron","","0.1331","0.1189","","","0.2772","0.2839","","","","","","1.92","","","","has coordinates,has disorder","216445","2020-10-21","18:00:00",""
"1551825","10.3347","0.0005","5.7397","0.0001","10.3885","0.0002","90","","106.53","0.01","90","","590.76","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Chlorotrinitromethane","'Chlorotrinitromethane'","","- C Cl N3 O6 -","- C Cl N3 O6 -","- C4 Cl4 N12 O24 -","4","1","","Michael Gobel; Boris H. Tchitchanov; Jane S. Murray; Peter Politzer; Thomas M. Klapotke","Chlorotrinitromethane and its exceptionally short carbon-chlorine bond","Nature Chemistry","2009","1","","229","235","10.1038/nchem.179","","","0.71073","MoKα","","0.0323","0.0305","","","0.0774","0.0792","","","","","","1.056","","","","has coordinates","216446","2020-10-21","18:00:00",""
"1551826","20.5708","0.0008","21.4332","0.0008","24.3151","0.0008","92.087","0.003","91.4","0.003","112.299","0.004","9903.7","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C194 H201 Cl8 N27 O54 Zn4 -","- C194 H201 Cl8 N27 O54 Zn4 -","- C388 H402 Cl16 N54 O108 Zn8 -","2","1","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.2255","0.133","","","0.3079","0.3727","","","","","","1.314","","","","has coordinates","216447","2020-10-21","18:00:00",""
"1551827","19.6706","0.0005","22.8014","0.0005","25.4507","0.0005","99.269","0.002","107.063","0.002","106.023","0.002","10118.2","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C55.5 H49.5 F6 N6 O6 -","- C55.5 H49.5 F6 N6 O6 -","- C444 H396 F48 N48 O48 -","8","4","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.1903","0.1124","","","0.2724","0.332","","","","","","1.236","","","","has coordinates,has disorder","279817","2022-12-09","07:50:26",""
"1551828","12.1557","0.0005","24.1339","0.001","39.3371","0.0009","85.206","0.002","87.55","0.002","75.675","0.004","11139.3","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C190 H147 Cl6 F18 N20 O44 Zn3 -","- C190 H147 Cl6 F18 N20 O44 Zn3 -","- C380 H294 Cl12 F36 N40 O88 Zn6 -","2","1","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.3131","0.1543","","","0.3195","0.4101","","","","","","1.176","","","","has coordinates,has disorder","216449","2020-10-21","18:00:00",""
"1551829","33.7737","0.0007","19.1957","0.0005","37.7788","0.0007","90","","101.142","0.002","90","","24030.7","0.9","120","2","120","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C124 H98 Cl4 F12 N10 O30 Zn2 -","- C124 H98 Cl4 F12 N10 O30 Zn2 -","- C744 H588 Cl24 F72 N60 O180 Zn12 -","6","1.5","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.1465","0.0928","","","0.223","0.2593","","","","","","1.137","","","","has coordinates,has disorder","277994","2022-09-20","08:32:41",""
"1551830","27.934","0.0009","7.5162","0.0003","26.0371","0.0007","90","","95.548","0.003","90","","5441.1","0.3","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Fe6 -","- C72 H60 Fe6 -","- C288 H240 Fe24 -","4","0.5","","Michael S. Inkpen; Stefan Scheerer; Michael Linseis; Andrew J. P. White; Rainer F. Winter; Tim Albrecht; Nicholas J. Long","Oligomeric ferrocene rings","Nature Chemistry","2016","8","","825","830","10.1038/nchem.2553","","","0.71073","MoKα","","0.0458","0.0325","","","0.0654","0.0701","","","","","","1.042","","","","has coordinates,has disorder","216451","2020-10-21","18:00:00",""
"1551831","7.4131","0.0006","13.207","0.0009","14.5753","0.001","94.319","0.006","99.791","0.006","98.987","0.006","1381.32","0.18","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C74 H64 Fe6 -","- C74 H64 Fe6 -","- C74 H64 Fe6 -","1","0.5","","Michael S. Inkpen; Stefan Scheerer; Michael Linseis; Andrew J. P. White; Rainer F. Winter; Tim Albrecht; Nicholas J. Long","Oligomeric ferrocene rings","Nature Chemistry","2016","8","","825","830","10.1038/nchem.2553","","","1.54184","CuKα","","0.0526","0.0375","","","0.0852","0.0921","","","","","","1.007","","","","has coordinates,has disorder","216452","2020-10-21","18:00:00",""
"1551832","14.7965","0.0004","14.7965","0.0004","38.3211","0.001","90","","90","","120","","7265.9","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85.82 H25.82 B12 Cl5.46 F60 O12.99 -","- C85.82 H25.82 B12 Cl5.46 F60 O12.994 -","- C257.46 H77.46 B36 Cl16.38 F180 O38.982 -","3","0.166667","","Elaine A. Qian; Alex I. Wixtrom; Jonathan C. Axtell; Azin Saebi; Dahee Jung; Pavel Rehak; Yanxiao Han; Elamar Hakim Moully; Daniel Mosallaei; Sylvia Chow; Marco S. Messina; Jing Yang Wang; A. Timothy Royappa; Arnold L. Rheingold; Heather D. Maynard; Petr Kral; Alexander M. Spokoyny","Atomically precise organomimetic cluster nanomolecules assembled via perfluoroaryl-thiol SNAr chemistry","Nature Chemistry","2017","9","","333","340","10.1038/nchem.2686","","","1.54178","CuKα","","0.0311","0.0304","","","0.0806","0.0811","","","","","","1.094","","","","has coordinates,has disorder","216453","2020-10-21","18:00:00",""
"1551833","19.211","0.003","19.674","0.003","22.866","0.004","97.606","0.005","114.089","0.005","109.756","0.005","7048","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C156 H72 B12 F60 O12 -","- C156 H72 B12 F60 O12 -","- C312 H144 B24 F120 O24 -","2","1","","Elaine A. Qian; Alex I. Wixtrom; Jonathan C. Axtell; Azin Saebi; Dahee Jung; Pavel Rehak; Yanxiao Han; Elamar Hakim Moully; Daniel Mosallaei; Sylvia Chow; Marco S. Messina; Jing Yang Wang; A. Timothy Royappa; Arnold L. Rheingold; Heather D. Maynard; Petr Kral; Alexander M. Spokoyny","Atomically precise organomimetic cluster nanomolecules assembled via perfluoroaryl-thiol SNAr chemistry","Nature Chemistry","2017","9","","333","340","10.1038/nchem.2686","","","0.71073","MoKα","","0.1771","0.068","","","0.1509","0.203","","","","","","1.008","","","","has coordinates","216454","2020-10-21","18:00:00",""
"1551834","7.95564","0.00014","16.3879","0.0003","26.8668","0.0005","90","","90","","90","","3502.79","0.11","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 Cl6 N2 O2 Os S -","- C35 H32 Cl6 N2 O2 Os S -","- C140 H128 Cl24 N8 O8 Os4 S4 -","4","1","","James P. C. Coverdale; Isolda Romero-Canelon; Carlos Sanchez-Cano; Guy J. Clarkson; Abraha Habtemariam; Martin Wills; Peter J. Sadler","Asymmetric transfer hydrogenation by synthetic catalysts in cancer cells","Nature Chemistry","2018","10","","347","354","10.1038/nchem.2918","","x-ray","0.71073","MoKα","","0.0436","0.0328","","","0.0539","0.057","","","","","","1.024","","","","has coordinates","216455","2020-10-21","18:00:00",""
"1551835","7.95923","0.00012","16.394","0.0003","26.878","0.0005","90","","90","","90","","3507.14","0.11","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 Cl6 N2 O2 Os S -","- C35 H32 Cl6 N2 O2 Os S -","- C140 H128 Cl24 N8 O8 Os4 S4 -","4","1","","James P. C. Coverdale; Isolda Romero-Canelon; Carlos Sanchez-Cano; Guy J. Clarkson; Abraha Habtemariam; Martin Wills; Peter J. Sadler","Asymmetric transfer hydrogenation by synthetic catalysts in cancer cells","Nature Chemistry","2018","10","","347","354","10.1038/nchem.2918","","x-ray","0.71073","MoKα","","0.0489","0.0361","","","0.0581","0.0623","","","","","","1.024","","","","has coordinates","216456","2020-10-21","18:00:00",""
"1551836","10.778","0.0015","16.187","0.002","10.773","0.0014","90","","103.801","0.005","90","","1825.2","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H47 Cl Cs N7 O2 -","- C39 H47 Cl Cs N7 O2 -","- C78 H94 Cl2 Cs2 N14 O4 -","2","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71073","MoKα","","0.0529","0.041","","","0.0797","0.0837","","","","","","1.028","","","","has coordinates","216457","2020-10-21","18:00:00",""
"1551837","10.6334","0.0012","20.29","0.002","21.869","0.003","66.724","0.003","81.164","0.003","88.956","0.003","4278.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H122 Cl2 N15 Na O9 -","- C85 H117 Cl2 N15 Na O9 -","- C170 H234 Cl4 N30 Na2 O18 -","2","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71073","MoKα","","0.37","0.1668","","","0.313","0.4299","","","","","","1.064","","","","has coordinates","216458","2020-10-21","18:00:00",""
"1551838","21.179","0.0014","9.0172","0.0006","20.4471","0.0013","90","","94.011","0.002","90","","3895.3","0.4","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H51 Cl Cs N7 O2 -","- C41 H51 Cl Cs N7 O2 -","- C164 H204 Cl4 Cs4 N28 O8 -","4","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71073","MoKα","","0.0323","0.0303","","","0.0687","0.0694","","","","","","1.207","","","","has coordinates","216459","2020-10-21","18:00:00",""
"1551839","33.279","0.005","18.277","0.004","31.785","0.005","90","","108.793","0.009","90","","18302","6","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H138 Cl2 N15 Na O9 -","- C86 H114 Cl2 N15 Na O9 -","- C688 H912 Cl16 N120 Na8 O72 -","8","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71073","MoKα","","0.1421","0.0722","","","0.1931","0.2621","","","","","","0.978","","","","has coordinates","282761","2023-04-20","06:46:01",""
"1551840","10.466","0.0003","11.298","0.0004","20.076","0.0005","90","","104.461","0.002","90","","2298.67","0.12","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H71 Cl N8 O2 -","- C49 H71 Cl N8 O2 -","- C98 H142 Cl2 N16 O4 -","2","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71075","MoKα","","0.197","0.0989","","","0.1795","0.2217","","","","","","1.266","","","","has coordinates,has disorder","216461","2020-10-21","18:00:00",""
"1551841","12.8727","0.0009","9.6907","0.0006","30.04","0.002","90","","94.735","0.002","90","","3734.6","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 N7 O4 -","- C41 H55 N7 O4 -","- C164 H220 N28 O16 -","4","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71074","MoKα","","0.1715","0.0715","","","0.12","0.1545","","","","","","1.066","","","","has coordinates","216462","2020-10-21","18:00:00",""
"1551842","12.6815","0.0002","9.7814","0.0002","29.9349","0.0009","90","","94.805","0.002","90","","3700.16","0.15","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H53 N5 O6 -","- C41 H53 N5 O6 -","- C164 H212 N20 O24 -","4","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71075","MoKα","","0.0902","0.0478","","","0.1049","0.121","","","","","","1.024","","","","has coordinates","216463","2020-10-21","18:00:00",""
"1551843","8.8644","0.0006","10.8121","0.0007","18.0451","0.0012","84.427","0.004","84.854","0.004","70.356","0.004","1618.13","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 B F19 Si -","- C32 H16 B F19 Si -","- C64 H32 B2 F38 Si2 -","2","1","","Adrian Y. Houghton; Juha Hurmalainen; Akseli Mansikkamaki; Warren E. Piers; Heikki M. Tuononen","Direct observation of a borane-silane complex involved in frustrated Lewis-pair-mediated hydrosilylations","Nature Chemistry","2014","6","","983","988","10.1038/nchem.2063","","","1.54178","CuKα","","0.0463","0.0413","","","0.1152","0.1204","","","","","","1.043","","","","has coordinates","216464","2020-10-21","18:00:00",""
"1551844","23.6365","0.0015","23.6365","0.0015","7.1651","0.0006","90","","90","","90","","4003","0.5","295.65","","295.65","","","","","","","","","3","I 41/a :2","-I 4ad","88","E4-1a","tetrakis(4-((E)-phenyldiazenyl)phenyl)methane","","- C49 H36 N8 -","- C49 H36 N8 -","- C196 H144 N32 -","4","0.25","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.1546","0.0611","","","0.1585","0.1836","","","","","","0.85","","","","has coordinates","216465","2020-10-21","18:00:00",""
"1551845","24.2515","0.0011","24.2515","0.0011","7.7078","0.0005","90","","90","","90","","4533.2","0.4","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","E4-1b form I","","","- C53 H44 N8 -","- C53 H44 N8 -","- C212 H176 N32 -","4","0.25","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.2338","0.066","","","0.1519","0.2275","","","","","","0.941","","","","has coordinates,has disorder","216466","2020-10-21","18:00:00",""
"1551846","24.072","0.002","24.072","0.002","7.4555","0.0012","90","","90","","90","","4320.2","0.9","297.65","","297.65","","","","","","","","","3","I 41/a :2","-I 4ad","88","E4-1b form II","tetrakis(4-((E)-p-tolyldiazenyl)phenyl)methane","","- C53 H44 N8 -","- C53 H44 N8 -","- C212 H176 N32 -","4","0.25","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.3267","0.0903","","","0.1848","0.2853","","","","","","0.955","","","","has coordinates","216467","2020-10-21","18:00:00",""
"1551847","20.205","0.005","20.205","0.005","7.278","0.002","90","","90","","90","","2971.2","1.3","296","","296","","","","","","","","","3","I -4","I -4","82","E4-1c","tetrakis(4-((E)-(4-(tert-butyl)phenyl)diazenyl)phenyl)methane","","- C16.25 H17 N2 -","- C16.25 H17 N2 -","- C130 H136 N16 -","8","1","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.4675","0.1362","","","0.266","0.4348","","","","","","0.94","","","","has coordinates","216468","2020-10-21","18:00:00",""
"1551848","16.1901","0.0018","10.01","0.0011","21.24","0.003","90","","101.822","0.001","90","","3369.2","0.7","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 B12 Cl11 -","- C19 H23 B12 Cl11 -","- C76 H92 B48 Cl44 -","4","1","","Yoshiaki Shoji; Naoki Tanaka; Koichiro Mikami; Masanobu Uchiyama; Takanori Fukushima","A two-coordinate boron cation featuring C-B±C bonding","Nature Chemistry","2014","6","","498","503","10.1038/nchem.1948","","","0.71069","MoKα","","","0.0249","","","","0.0623","","","","","","1.026","","","","has coordinates","216469","2020-10-21","18:00:00",""
"1551849","15.995","0.003","15.995","0.003","7.7772","0.0012","90","","90","","90","","1989.7","0.6","90","","90","","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","","","- C42 H22 B2 F20 -","- C42 H22 B2 F20 -","- C84 H44 B4 F40 -","2","0.25","","Yoshiaki Shoji; Naoki Tanaka; Koichiro Mikami; Masanobu Uchiyama; Takanori Fukushima","A two-coordinate boron cation featuring C-B±C bonding","Nature Chemistry","2014","6","","498","503","10.1038/nchem.1948","","","0.71069","MoKα","","","0.024","","","","0.0638","","","","","","1.068","","","","has coordinates","216470","2020-10-21","18:00:00",""
"1551850","9.2943","0.0013","10.468","0.0014","14.361","0.002","94.572","0.0016","95.238","0.0018","103.789","0.0015","1343.8","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 B11 Cl11 O -","- C11 H12 B11 Cl11 O -","- C22 H24 B22 Cl22 O2 -","2","1","","Yoshiaki Shoji; Naoki Tanaka; Koichiro Mikami; Masanobu Uchiyama; Takanori Fukushima","A two-coordinate boron cation featuring C-B±C bonding","Nature Chemistry","2014","6","","498","503","10.1038/nchem.1948","","","0.71069","MoKα","","","0.0289","","","","0.0761","","","","","","1.052","","","","has coordinates","216471","2020-10-21","18:00:00",""
"1551851","10.838","0.0008","11.7188","0.0009","15.3855","0.0011","111.957","0.004","95.397","0.004","103.468","0.004","1726.6","0.2","100","1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H118 N2 P4 Ti2 -","- C69 H118 N2 P4 Ti2 -","- C69 H118 N2 P4 Ti2 -","1","0.5","","Douglas P. Solowey; Manoj V. Mane,; Takashi Kurogi; Patrick J. Carroll; Brian C. Manor; Mu-Hyun Baik; Daniel J. Mindiola","A new and selective cycle for dehydrogenation of linear and cyclic alkanes under mild conditions using a base metal","Nature Chemistry","2017","9","","1126","1132","10.1038/nchem.2795","","","0.71073","MoKα","","0.0664","0.0451","","","0.1182","0.1297","","","","","","1.031","","","","has coordinates,has disorder","216472","2020-10-21","18:00:00",""
"1551852","10.1072","0.0004","9.2624","0.0004","15.2719","0.0006","90","","93.254","0.002","90","","1427.4","0.1","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 P -","- C19 H15 P -","- C76 H60 P4 -","4","1","","Douglas P. Solowey; Manoj V. Mane,; Takashi Kurogi; Patrick J. Carroll; Brian C. Manor; Mu-Hyun Baik; Daniel J. Mindiola","A new and selective cycle for dehydrogenation of linear and cyclic alkanes under mild conditions using a base metal","Nature Chemistry","2017","9","","1126","1132","10.1038/nchem.2795","","","0.71073","MoKα","","0.0327","0.0308","","","0.083","0.0851","","","","","","1.061","","","","has coordinates","216473","2020-10-21","18:00:00",""
"1551874","20.4825","0.0007","14.8334","0.0005","25.3877","0.0009","90","","96.261","0.002","90","","7667.4","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Gd2C2@C84.Ni(OEP).1.75toluene.0.25benzene","","","- C135.75 H59.5 Gd2 N4 Ni -","- C135.75 H59.5 Gd2 N4 Ni -","- C543 H238 Gd8 N16 Ni4 -","4","1","","Jianyuan Zhang; Faye L. Bowles; Daniel W. Bearden; W. Keith Ray; Tim Fuhrer; Youqing Ye; Caitlyn Dixon; Kim Harich; Richard F. Helm; Marilyn M. Olmstead; Alan L. Balch; Harry C. Dorn","A missing link in the transformation from asymmetric to symmetric metallofullerene cages implies a top-down fullerene formation mechanism","Nature Chemistry","2013","5","","880","885","10.1038/nchem.1748","","","0.7749","synchrotron","","0.1632","0.1154","","","0.3045","0.3286","","","","","","1.821","","","","has coordinates,has disorder","216515","2020-10-21","18:00:00",""
"1551875","19.853","0.0011","42.232","0.002","14.782","0.0012","90","","90","","90","","12393.7","1.4","133","2","133","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C29 H46 Ir N5 P2 -","- C29 H46 Ir N5 P2 -","- C464 H736 Ir16 N80 P32 -","16","1","","Stefan Michlik; Rhett Kempe","A sustainable catalytic pyrrole synthesis","Nature Chemistry","2013","5","","140","144","10.1038/nchem.1547","","","0.71069","MoKα","","0.081","0.0641","","","0.1434","0.1499","","","","","","0.98","","","","has coordinates","216516","2020-10-21","18:00:00",""
"1551876","23.001","0.0004","23.001","0.0004","17.621","0.0003","90","","90","","120","","8073.4","0.2","133","2","133","2","","","","","","","","5","P 32","P 32","145","","","","- C33 H47 Ir N5 P2 -","- C33 H47 Ir N5 P2 -","- C297 H423 Ir9 N45 P18 -","9","3","","Stefan Michlik; Rhett Kempe","A sustainable catalytic pyrrole synthesis","Nature Chemistry","2013","5","","140","144","10.1038/nchem.1547","","","0.71069","MoKα","","0.0328","0.0303","","","0.0641","0.0647","","","","","","0.958","","","","has coordinates","216517","2020-10-21","18:00:00",""
"1551877","28.3772","0.0019","35.137","0.002","21.3407","0.0013","90","","90","","90","","21279","2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C114.75 H141 N12 -","- C114.695 H102 N12 -","- C917.56 H816 N96 -","8","1","","Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper","Molecular shape sorting using molecular organic cages","Nature Chemistry","2013","5","","276","281","10.1038/nchem.1550","","","0.71073","MoKα","","0.1155","0.106","","","0.3005","0.3055","","","","","","2.345","","","","has coordinates,has disorder","216519","2020-10-21","18:00:00",""
"1551878","20.515","0.003","28.04","0.004","35.607","0.005","90","","90","","90","","20483","5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C108 H129 N12 -","- C107.995 H116.5 N12 -","- C863.96 H932 N96 -","8","2","","Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper","Molecular shape sorting using molecular organic cages","Nature Chemistry","2013","5","","276","281","10.1038/nchem.1550","","","0.71073","MoKα","","0.1101","0.0785","","","0.1999","0.2184","","","","","","1.286","","","","has coordinates,has disorder","216520","2020-10-21","18:00:00",""
"1551879","17.5354","0.001","18.0598","0.0011","24.493","0.002","90","","90.554","0.001","90","","7756.2","0.9","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C88 H104 N12 -","- C86.396 H101.995 N12 -","- C345.584 H407.98 N48 -","4","1","","Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper","Molecular shape sorting using molecular organic cages","Nature Chemistry","2013","5","","276","281","10.1038/nchem.1550","","","0.71073","MoKα","","0.0715","0.0558","","","0.1444","0.1533","","","","","","1.048","","","","has coordinates,has disorder","216521","2020-10-21","18:00:00",""
"1551880","17.701","0.0009","18.026","0.0009","24.9002","0.0018","90","","90.293","0.001","90","","7945","0.8","295","2","295","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C88 H104 N12 -","- C86.488 H102.11 N12 -","- C345.952 H408.44 N48 -","4","1","","Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper","Molecular shape sorting using molecular organic cages","Nature Chemistry","2013","5","","276","281","10.1038/nchem.1550","","","0.71073","MoKα","","0.0677","0.0522","","","0.1414","0.1518","","","","","","1.035","","","","has coordinates,has disorder","216522","2020-10-21","18:00:00",""
"1551881","7.4574","0.0004","5.66","0.0003","19.1444","0.0011","90","","97.282","0.001","90","","801.55","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16.19 Br N2 O1.6 -","- C18 H16.192 Br N2 O1.596 -","- C36 H32.384 Br2 N4 O3.192 -","2","1","","Ling Li; Chao-Yuan Wang; Rongcai Huang; Mark R. Biscoe","Stereoretentive Pd-catalysed Stille cross-coupling reactions of secondary alkyl azastannatranes and aryl halides","Nature Chemistry","2013","5","","607","612","10.1038/nchem.1652","","","0.71073","MoKα","","0.0265","0.0236","","","0.0553","0.0564","","","","","","1.048","","","","has coordinates","216523","2020-10-21","18:00:00",""
"1551882","15.1905","0.0002","14.3672","0.0002","7.2454","0.0001","90","","96.624","0.001","90","","1570.72","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N5 O2 -","- C17 H17 N5 O2 -","- C68 H68 N20 O8 -","4","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","1.54178","CuKα","","0.0389","0.0333","","","0.0877","0.0911","","","","","","1.028","","","","has coordinates","216524","2020-10-21","18:00:00",""
"1551883","7.9462","0.001","27.204","0.003","10.9195","0.0013","90","","96.293","0.002","90","","2346.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 F6 N5 O6 -","- C21 H19 F6 N5 O6 -","- C84 H76 F24 N20 O24 -","4","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","0.71073","MoKα","","0.1297","0.0719","","","0.1922","0.2328","","","","","","1.061","","","","has coordinates","216525","2020-10-21","18:00:00",""
"1551884","7.838","0.002","12.963","0.004","13.201","0.004","106.371","0.003","91.445","0.004","93.803","0.003","1282.7","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Cl2 N6 O11 Zn -","- C19 H22 Cl2 N6 O11 Zn -","- C38 H44 Cl4 N12 O22 Zn2 -","2","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","0.71073","MoKα","","0.0614","0.0456","","","0.1195","0.1309","","","","","","1.027","","","","has coordinates","216526","2020-10-21","18:00:00",""
"1551885","7.7908","0.0008","12.9951","0.0013","15.0442","0.0015","65.683","0.001","84.903","0.001","86.633","0.001","1382.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl2 N6 O10 Zn -","- C23 H24 Cl2 N6 O10 Zn -","- C46 H48 Cl4 N12 O20 Zn2 -","2","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","0.71073","MoKα","","0.0432","0.0326","","","0.0803","0.0866","","","","","","1.056","","","","has coordinates","216527","2020-10-21","18:00:00",""
"1551887","31.466","0.002","18.3593","0.0012","29.875","0.002","90","","126.405","0.0019","90","","13890.4","1.6","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H74 Br4 N4 O11 -","- C72 H74 Br4 N4 O11 -","- C576 H592 Br32 N32 O88 -","8","1","","Kelong Zhu; Giorgio Baggi; Stephen J. Loeb","Ring-through-ring molecular shuttling in a saturated [3]rotaxane","Nature Chemistry","2018","10","","625","630","10.1038/s41557-018-0040-9","","","1.54178","CuKα","","0.2035","0.1067","","","0.2366","0.2919","","","","","","1.039","","","","has coordinates,has disorder","216529","2020-10-21","18:00:00",""
"1551888","13.1755","0.0003","18.6165","0.0005","21.6086","0.0006","86.0293","0.0018","84.4233","0.0016","85.0168","0.0017","5245.3","0.2","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C248 H248 B2 F8 N4 O16 -","- C248 H248 B2 F8 N4 O16 -","- C248 H248 B2 F8 N4 O16 -","1","0.5","","Kelong Zhu; Giorgio Baggi; Stephen J. Loeb","Ring-through-ring molecular shuttling in a saturated [3]rotaxane","Nature Chemistry","2018","10","","625","630","10.1038/s41557-018-0040-9","","","1.54178","CuKα","","0.266","0.1452","","","0.3524","0.4188","","","","","","1.213","","","","has coordinates,has disorder","216530","2020-10-21","18:00:00",""
"1551889","8.6241","0.0001","9.7969","0.0002","18.9232","0.0003","80.469","0.002","83.314","0.001","76.243","0.002","1526.55","0.05","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C29 H31 F14 N O Si -","- C29 H31 F14 N O Si -","- C58 H62 F28 N2 O2 Si2 -","2","2","","Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre","Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals","Nature Chemistry","2017","9","","868","873","10.1038/nchem.2748","","","0.7107","MoKα","","0.0439","0.0413","","","0.122","0.1242","","","","","","1.059","","","","has coordinates","216531","2020-10-21","18:00:00",""
"1551890","29.4752","0.0019","8.8183","0.0006","37.823","0.002","90","","97.4465","0.0018","90","","9748.1","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H26 O2 S -","- C33 H26 O2 S -","- C528 H416 O32 S16 -","16","8","","Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre","Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals","Nature Chemistry","2017","9","","868","873","10.1038/nchem.2748","","","0.71073","MoKα","","0.11","0.0862","","","0.1829","0.1935","","","","","","1.07","","","","has coordinates","216532","2020-10-21","18:00:00",""
"1551891","10.6934","0.0003","17.4932","0.0004","24.2485","0.0006","90","","90","","90","","4536","0.2","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 B F18 N O2 Si -","- C41.9996 H45.9992 B F18 N O1.9999 Si -","- C167.998 H183.997 B4 F72 N4 O7.9996 Si4 -","4","1","","Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre","Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals","Nature Chemistry","2017","9","","868","873","10.1038/nchem.2748","","","0.7107","MoKα","","0.1037","0.0783","","","0.2159","0.2302","","","","","","1.579","","","","has coordinates,has disorder","216533","2020-10-21","18:00:00",""
"1551898","32.4066","0.0002","32.4066","0.0002","23.1808","0.0002","90","","90","","90","","24344.2","0.3","150","2","150","2","","","","","","","","7","P 4","P 4","75","","","","- C620 H1016 I8 K8 N160 O168 Si32 -","- C620 H1016 I8 K8 N160 O168 Si32 -","- C620 H1016 I8 K8 N160 O168 Si32 -","1","0.25","","David Gonzalez-Rodriguez; Joost L. J. van Dongen; Martin Lutz; Anthony L. Spek; Albertus P. H. J. Schenning; E. W. Meijer","G-quadruplex self-assembly regulated by Coulombic interactions","Nature Chemistry","2009","1","","151","155","10.1038/nchem.177","","","0.71073","MoKα","","0.0984","0.0724","","","0.1922","0.2065","","","","","","1.026","","","","has coordinates","216561","2020-10-21","18:00:00",""
"1551899","16.039","0.002","16.038","0.002","9.9156","0.0013","90","","90","","90","","2550.6","0.6","193","2","193","2","","","","","","","chemical synthesis","5","P m m n :2","-P 2ab 2a","59","DCP1","(Acetato)(10-benzo[h]quinolinato)palladium(II) dimer","","- C30 H22 N2 O4 Pd2 -","- C30 H22 N2 O4 Pd2 -","- C120 H88 N8 O16 Pd8 -","4","0.5","","David C. Powers; Tobias Ritter","Bimetallic Pd(III) complexes in palladium-catalysed carbon-heteroatom bond formation","Nature Chemistry","2009","1","","302","309","10.1038/nchem.246","","","0.71073","MoKα","","0.0297","0.0282","","","0.0701","0.0713","","","","","","1.12","","","","has coordinates,has disorder","216562","2020-10-21","18:00:00",""
"1551900","16.7605","0.0005","17.7508","0.0005","14.1762","0.0004","90","","117.053","0.002","90","","3756.1","0.2","193","2","193","2","","","","","","","chemical synthesis","7","C 1 2/c 1","-C 2yc","15","tr040","(Acetato){10-benzo[<i>h</i>]quinolinato)chloropalladium(III) Dimer . Iodobenzene . Dichloromethane Solvate","","- C37 H29 Cl4 I N2 O4 Pd2 -","- C36 H27 Cl2 I N2 O4 Pd2 -","- C144 H108 Cl8 I4 N8 O16 Pd8 -","4","0.5","","David C. Powers; Tobias Ritter","Bimetallic Pd(III) complexes in palladium-catalysed carbon-heteroatom bond formation","Nature Chemistry","2009","1","","302","309","10.1038/nchem.246","","","0.71073","MoKα","","0.0491","0.0336","","","0.0761","0.0804","","","","","","1.075","","","","has coordinates,has disorder","216564","2020-10-21","18:00:00",""
"1551901","10.0632","0.0002","11.2475","0.0002","13.923","0.0002","96.989","0.001","95.423","0.001","108.992","0.001","1463.85","0.05","193","2","193","2","","","","","","","chemical synthesis","6","P -1","-P 1","2","DCP2","Tris(μ~2~-acetato)-bis(benzo[<i>h<ι>]quinolato)-(μ~2~-chloro)- tripalladium(II)","","- C32 H25 Cl N2 O6 Pd3 -","- C32 H25 Cl N2 O6 Pd3 -","- C64 H50 Cl2 N4 O12 Pd6 -","2","1","","David C. Powers; Tobias Ritter","Bimetallic Pd(III) complexes in palladium-catalysed carbon-heteroatom bond formation","Nature Chemistry","2009","1","","302","309","10.1038/nchem.246","","","0.71073","MoKα","","0.0479","0.0369","","","0.0792","0.0834","","","","","","1.091","","","","has coordinates","216565","2020-10-21","18:00:00",""
"1551902","16.3668","0.0004","17.4864","0.0004","26.005","0.0006","90","","90","","90","","7442.5","0.3","193","2","193","2","","","","","","","chemical synthesis","6","P b c a","-P 2ac 2ab","61","DCP-IV-15","Bis(acetato)bis(μ~2~-acetato)-bis(10-benzo[<i>h</i>]quinolato)- dipalladium(III) bis(dichloromethane) solvate","","- C36 H32 Cl4 N2 O8 Pd2 -","- C36 H32 Cl4 N2 O8 Pd2 -","- C288 H256 Cl32 N16 O64 Pd16 -","8","1","","David C. Powers; Tobias Ritter","Bimetallic Pd(III) complexes in palladium-catalysed carbon-heteroatom bond formation","Nature Chemistry","2009","1","","302","309","10.1038/nchem.246","","","0.71073","MoKα","","0.0866","0.0428","","","0.0819","0.0969","","","","","","1.005","","","","has coordinates,has disorder","216566","2020-10-21","18:00:00",""
"1551903","8.368","0.0005","8.3711","0.0005","21.6926","0.0014","90","","93.54","0.005","90","","1516.65","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cl2 Fe N4 -","- C14 H8 Cl2 Fe N4 -","- C56 H32 Cl8 Fe4 N16 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.6889","","","0.0936","0.0919","","","0.2328","0.234","","","","","","1.16","","","","has coordinates,has disorder","216567","2020-10-21","18:00:00",""
"1551904","8.3356","0.0014","8.3352","0.0011","18.758","0.003","90","","96.965","0.013","90","","1293.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Fe N4 -","- C14 H10 Fe N4 -","- C56 H40 Fe4 N16 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.6889","synchrotron","","0.0871","0.0813","","","0.2198","0.2275","","","","","","1.117","","","","has coordinates,has disorder","216568","2020-10-21","18:00:00",""
"1551905","8.2809","0.0006","8.2718","0.0006","21.798","0.003","90","","92.418","0.008","90","","1491.8","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Fe N4 -","- C16 H12 Fe N4 -","- C64 H48 Fe4 N16 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.71073","MoKα","","0.097","0.0818","","","0.1957","0.2027","","","","","","1.176","","","","has coordinates,has disorder","216569","2020-10-21","18:00:00",""
"1551906","8.2958","0.0006","8.2991","0.0006","22.299","0.002","90","","92.44","0.008","90","","1533.8","0.2","150.02","0.1","150.02","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H8 Br2 Fe N4 -","- C14 H8 Br2 Fe N4 -","- C56 H32 Br8 Fe4 N16 -","4","1","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.71073","MoKα","","0.2505","0.2372","","","0.5361","0.5506","","","","","","2.445","","","","has coordinates,has disorder","216570","2020-10-21","18:00:00",""
"1551907","8.2188","0.0019","8.217","0.002","21.481","0.013","90","","97.66","0.04","90","","1437.7","1","149.9","0.3","149.9","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Fe N6 -","- C14 H8.5 Fe N6 -","- C56 H34 Fe4 N24 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.71073","MoKα","","0.1986","0.1772","","","0.411","0.4268","","","","","","1.158","","","","has coordinates,has disorder","216571","2020-10-21","18:00:00",""
"1551908","13.747","0.002","8.8403","0.0013","12.9567","0.0018","90","","114.796","0.002","90","","1429.4","0.4","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 B F2 N4 -","- C15 H13 B F2 N4 -","- C60 H52 B4 F8 N16 -","4","1","","Hai Qian; Morgan E. Cousins; Erik H. Horak; Audrey Wakefield; Matthew D. Liptak; Ivan Aprahamian","Suppression of Kasha's rule as a mechanism for fluorescent molecular rotors and aggregation-induced emission","Nature Chemistry","2017","9","","83","87","10.1038/nchem.2612","","","0.71073","MoKα","","0.087","0.0496","","","0.1372","0.1648","","","","","","1.05","","","","has coordinates","216572","2020-10-21","18:00:00",""
"1551909","18.5676","0.0012","18.5676","0.0012","6.8056","0.0006","90","","90","","120","","2031.9","0.3","300","2","300","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C10 H11.33 Cu O6.67 -","- C10 H9 Cu O6.66467 -","- C60 H54 Cu6 O39.988 -","6","0.5","","Lauren N. McHugh; Matthew J. McPherson; Laura J. McCormick; Samuel A. Morris; Paul S. Wheatley; Simon J. Teat; David McKay; Daniel M. Dawson; Charlotte E. F. Sansome; Sharon E. Ashbrook; Corinne A. Stone; Martin W. Smith; Russell E. Morris","Hydrolytic stability in hemilabile metal-organic frameworks","Nature Chemistry","2018","10","","1096","1102","10.1038/s41557-018-0104-x","","","0.7749","synchrotron","","0.0478","0.0367","","","0.0973","0.1033","","","","","","1.061","","","","has coordinates","216574","2020-10-21","18:00:00",""
"1551910","33.028","0.003","33.028","0.003","5.2047","0.0006","90","","90","","120","","4916.9","0.8","300","2","300","2","","","","","","","","4","P 3 1 m","P 3 -2","157","","","","- C10 H8 Cu O5 -","- C10 H8 Cu O5 -","- C180 H144 Cu18 O90 -","18","3","","Lauren N. McHugh; Matthew J. McPherson; Laura J. McCormick; Samuel A. Morris; Paul S. Wheatley; Simon J. Teat; David McKay; Daniel M. Dawson; Charlotte E. F. Sansome; Sharon E. Ashbrook; Corinne A. Stone; Martin W. Smith; Russell E. Morris","Hydrolytic stability in hemilabile metal-organic frameworks","Nature Chemistry","2018","10","","1096","1102","10.1038/s41557-018-0104-x","","","0.7749","synchrotron","","0.1685","0.1515","","","0.3291","0.341","","","","","","1.104","","","","has coordinates,has disorder","216575","2020-10-21","18:00:00",""
"1551911","15.215","0.002","11.5219","0.0018","29.439","0.005","90","","90","","90","","5160.8","1.4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 F3 Ir N O -","- C28 H33 F3 Ir N O -","- C224 H264 F24 Ir8 N8 O8 -","8","1","","Kwangmin Shin; Yoonsu Park; Mu-Hyun Baik; Sukbok Chang","Iridium-catalysed arylation of C-H bonds enabled by oxidatively induced reductive elimination","Nature Chemistry","2018","10","","218","224","10.1038/nchem.2900","","","0.71073","MoKα","","0.0334","0.0224","","","0.0452","0.0492","","","","","","1.116","","","","has coordinates","216576","2020-10-21","18:00:00",""
"1551912","12.1386","0.0011","12.3014","0.0011","19.1744","0.0017","76.241","0.001","77.026","0.001","69.951","0.001","2580.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[MsTpCu-SCPh3]","","","- C60 H67 B Cu N6 S -","- C60 H67 B Cu N6 S -","- C120 H134 B2 Cu2 N12 S2 -","2","1","","Shiyu Zhang; Marie M. Melzer; S. Nermin Sen; Nihan Celebi-Olcum; Timothy H. Warren","A motif for reversible nitric oxide interactions in metalloenzymes","Nature Chemistry","2016","8","","663","669","10.1038/nchem.2502","","","0.71073","MoKα","","0.1012","0.0644","","","0.1496","0.1647","","","","","","1.107","","","","has coordinates","216577","2020-10-21","18:00:00",""
"1551913","40.0234","0.0005","13.3815","0.0002","26.2403","0.0003","90","","125.333","0.001","90","","11465","0.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","MsTpCuNOSCPh3","","","- C67 H65 B Cu F2 N7 O S -","- C67 H65 B Cu F2 N7 O S -","- C536 H520 B8 Cu8 F16 N56 O8 S8 -","8","1","","Shiyu Zhang; Marie M. Melzer; S. Nermin Sen; Nihan Celebi-Olcum; Timothy H. Warren","A motif for reversible nitric oxide interactions in metalloenzymes","Nature Chemistry","2016","8","","663","669","10.1038/nchem.2502","","","0.71073","MoKα","","0.1247","0.0623","","","0.1548","0.1954","","","","","","1.15","","","","has coordinates","216578","2020-10-21","18:00:00",""
"1551914","12.6639","0.0004","15.4161","0.0005","22.4366","0.0008","90","","92.779","0.002","90","","4375.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","iPr2TpCuCNArMe2","","","- C19 H26.5 B0.5 Cl2 Cu0.5 N3.5 -","- C19 H26.5 B0.5 Cl2 Cu0.5 N3.5 -","- C152 H212 B4 Cl16 Cu4 N28 -","8","2","","Shiyu Zhang; Marie M. Melzer; S. Nermin Sen; Nihan Celebi-Olcum; Timothy H. Warren","A motif for reversible nitric oxide interactions in metalloenzymes","Nature Chemistry","2016","8","","663","669","10.1038/nchem.2502","","","0.71073","MoKα","","0.0852","0.0578","","","0.1479","0.1648","","","","","","1.096","","","","has coordinates,has disorder","216579","2020-10-21","18:00:00",""
"1551919","22.883","0.013","9.955","0.003","28.329","0.009","90","","105.871","0.018","90","","6207","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Be Cl2 N -","- C20 H31 Be Cl2 N -","- C240 H372 Be12 Cl24 N12 -","12","3","","Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster","Neutral zero-valent s-block complexes with strong multiple bonding","Nature Chemistry","2016","8","","890","894","10.1038/nchem.2542","","","0.71073","MoKα","","0.0672","0.0396","","","0.0856","0.0974","","","","","","1.019","","","","has coordinates","216648","2020-10-21","18:00:00",""
"1551920","20.214","0.006","9.634","0.004","23.524","0.006","90","","90","","90","","4581","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H35 Be Cl2 N -","- C23 H35 Be Cl2 N -","- C184 H280 Be8 Cl16 N8 -","8","1","","Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster","Neutral zero-valent s-block complexes with strong multiple bonding","Nature Chemistry","2016","8","","890","894","10.1038/nchem.2542","","","0.71073","MoKα","","0.0424","0.0342","","","0.0885","0.0944","","","","","","1.044","","","","has coordinates","216649","2020-10-21","18:00:00",""
"1551921","10.009","0.003","10.854","0.004","11.522","0.003","73.426","0.012","71.114","0.008","78.842","0.011","1128","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H74 Be N2 -","- C52 H74 Be N2 -","- C52 H74 Be N2 -","1","0.5","","Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster","Neutral zero-valent s-block complexes with strong multiple bonding","Nature Chemistry","2016","8","","890","894","10.1038/nchem.2542","","","0.71073","MoKα","","0.0636","0.0469","","","0.1064","0.1152","","","","","","1.038","","","","has coordinates","216650","2020-10-21","18:00:00",""
"1551922","10.205","0.003","11.905","0.003","16.885","0.004","95.186","0.007","92.747","0.007","112.17","0.007","1884.4","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H66 Be N2 -","- C43 H66 Be N2 -","- C86 H132 Be2 N4 -","2","1","","Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster","Neutral zero-valent s-block complexes with strong multiple bonding","Nature Chemistry","2016","8","","890","894","10.1038/nchem.2542","","","0.71073","MoKα","","0.0882","0.0618","","","0.1585","0.1716","","","","","","1.02","","","","has coordinates","216651","2020-10-21","18:00:00",""
"1551923","19.4062","0.0015","30.4471","0.0016","19.8996","0.0008","90","","101.576","0.006","90","","11518.8","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H72 Cl6 N18 O27 -","- C80.5 H74 Cl2 N14 O11 -","- C322 H296 Cl8 N56 O44 -","4","1","","Hao Li; Huacheng Zhang; Aaron D. Lammer; Ming Wang; Xiaopeng Li; Vincent M. Lynch; Jonathan L. Sessler","Quantitative self-assembly of a purely organic three-dimensional catenane in water","Nature Chemistry","2015","7","","1003","1008","10.1038/nchem.2392","","","1.54184","CuKα","","0.2648","0.144","","","0.4037","0.451","","","","","","1.031","","","","has coordinates","216652","2020-10-21","18:00:00",""
"1551924","20.0122","0.0015","9.8352","0.0007","7.4416","0.0006","90","","90.639","0.005","90","","1464.59","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N O3 W -","- C15 H10 F3 N O3 W -","- C60 H40 F12 N4 O12 W4 -","4","1","","Tianfei Liu; Meiyuan Guo; Andreas Orthaber; Reiner Lomoth; Marcus Lundberg; Sascha Ott; Leif Hammarstrom","Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions","Nature Chemistry","2018","10","","881","887","10.1038/s41557-018-0076-x","","","0.71073","MoKα","","0.0825","0.072","","","0.1781","0.1859","","","","","","1.138","","","","has coordinates","216653","2020-10-21","18:00:00",""
"1551925","11.8215","0.0005","6.2202","0.0002","19.1297","0.0008","90","","92.475","0.002","90","","1405.33","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O3 W -","- C15 H13 N O3 W -","- C60 H52 N4 O12 W4 -","4","1","","Tianfei Liu; Meiyuan Guo; Andreas Orthaber; Reiner Lomoth; Marcus Lundberg; Sascha Ott; Leif Hammarstrom","Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions","Nature Chemistry","2018","10","","881","887","10.1038/s41557-018-0076-x","","","0.71073","MoKα","","0.0334","0.0271","","","0.0572","0.0591","","","","","","1.09","","","","has coordinates","216654","2020-10-21","18:00:00",""
"1551926","8.2435","0.0003","8.3778","0.0002","11.8392","0.0004","103.606","0.001","98.72","0.002","108.776","0.001","729.09","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N O4 W -","- C15 H13 N O4 W -","- C30 H26 N2 O8 W2 -","2","1","","Tianfei Liu; Meiyuan Guo; Andreas Orthaber; Reiner Lomoth; Marcus Lundberg; Sascha Ott; Leif Hammarstrom","Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions","Nature Chemistry","2018","10","","881","887","10.1038/s41557-018-0076-x","","","0.71073","MoKα","","0.0249","0.022","","","0.0507","0.052","","","","","","1.121","","","","has coordinates","216655","2020-10-21","18:00:00",""
"1551927","16.9293","0.001","18.4694","0.0007","28.346","0.002","90","","100.629","0.006","90","","8711","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H66 Mn3 N12 O16 -","- C75 H66 Mn3 N12 O16 -","- C300 H264 Mn12 N48 O64 -","4","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.7107","MoKα","","0.1889","0.1272","","","0.2276","0.2533","","","","","","1.186","","","","has coordinates","216656","2020-10-21","18:00:00",""
"1551928","12.236","0.002","33.628","0.007","51.707","0.01","90","","94.19","0.03","90","","21219","7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C150 H132 Cl4 Co2 Mn6 N24 O24 -","- C150 H132 Cl4 Co2 Mn6 N24 O24 -","- C600 H528 Cl16 Co8 Mn24 N96 O96 -","4","1","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","Synchrotron","","0.1105","0.0776","","","0.2017","0.2181","","","","","","1.053","","","","has coordinates,has disorder","216657","2020-10-21","18:00:00",""
"1551929","12.352","0.003","33.725","0.007","13.03","0.003","90","","96.63","0.03","90","","5392","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C79 H66 Cl2 Mn3 N12 O16 Rh2 -","- C79 H66 Cl2 Mn3 N12 O16 Rh2 -","- C158 H132 Cl4 Mn6 N24 O32 Rh4 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","Synchrotron","","0.083","0.0749","","","0.2245","0.2321","","","","","","1.036","","","","has coordinates,has disorder","216658","2020-10-21","18:00:00",""
"1551930","12.359","0.003","33.229","0.007","12.887","0.003","90","","96.42","0.03","90","","5259","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C75 H66 Cl3 Mn3 N12 O16 Rh -","- C75 H66 Mn3 N12 O16 Rh -","- C150 H132 Mn6 N24 O32 Rh2 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","Synchrotron","","0.0946","0.075","","","0.2182","0.2331","","","","","","1.068","","","","has coordinates,has disorder","216659","2020-10-21","18:00:00",""
"1551931","12.3582","0.0005","33.9509","0.0015","12.9507","0.0006","90","","99.89","0.004","90","","5353","0.4","105","8","105","8","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C80 H72 Cl0 I2 Mn3 N13 O14 Rh -","- C80 H72 I1.5 Mn3 N13 O14 Rh -","- C160 H144 I3 Mn6 N26 O28 Rh2 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","MoKα","","0.1706","0.1076","","","0.2892","0.3271","","","","","","1.001","","","","has coordinates,has disorder","216660","2020-10-21","18:00:00",""
"1551932","12.289","0.003","32.302","0.007","25.974","0.005","90","","93.57","0.03","90","","10291","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H66 Mn3 N12 O12 -","- C75 H66 Mn3 N12 O12 -","- C300 H264 Mn12 N48 O48 -","4","1","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","Synchrotron","","0.077","0.0565","","","0.1608","0.1704","","","","","","1.07","","","","has coordinates,has disorder","216661","2020-10-21","18:00:00",""
"1551933","12.3989","0.0012","33.418","0.003","12.9445","0.0016","90","","98.312","0.011","90","","5307.2","1","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C75 H66 Cl2 Co Mn3 N12 O16 -","- C75 H66 Cl2 Co Mn3 N12 O16 -","- C150 H132 Cl4 Co2 Mn6 N24 O32 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.7107","MoKα","","0.1277","0.0928","","","0.2256","0.2419","","","","","","1.066","","","","has coordinates","216662","2020-10-21","18:00:00",""
"1551959","7.0956","0.0002","11.5517","0.0003","24.171","0.0017","90","","90","","90","","1981.21","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C104 H92 N4 O16 -","4","1","","Tatiana Caneque; Filipe Gomes; Trang Thi Mai; Giovanni Maestri; Max Malacria; Raphael Rodriguez","Synthesis of marmycin A and investigation into its cellular activity","Nature Chemistry","2015","7","","744","751","10.1038/nchem.2302","","","1.54187","CuKα","","0.1324","0.0612","","","0.1471","0.2174","","","","","","0.993","","","","has coordinates","216723","2020-10-21","18:00:00",""
"1551960","9.8002","0.0008","11.4061","0.001","30.952","0.003","90","","90","","90","","3459.9","0.5","100","2","100","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C34.48 H34.96 Cl0.96 O14 -","- C34.478 H34.956 Cl0.956 O14 -","- C137.912 H139.824 Cl3.824 O56 -","4","0.5","","Tian Qin; Sarah L. Skraba-Joiner; Zeinab G. Khalil; Richard P. Johnson; Robert J. Capon; John A. Porco Jr","Atropselective syntheses of (-) and (+) rugulotrosin A utilizing point-to-axial chirality transfer","Nature Chemistry","2015","7","","234","240","10.1038/nchem.2173","","","1.54178","CuKα","","0.0398","0.0394","","","0.1254","0.1259","","","","","","1.217","","","","has coordinates,has disorder","216724","2020-10-21","18:00:00",""
"1551961","11.3036","0.0004","15.895","0.0005","11.5465","0.0004","90","","111.075","0.001","90","","1935.8","0.11","100","2","99.98","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H42 O16 -","- C40 H42 O16 -","- C80 H84 O32 -","2","1","","Tian Qin; Sarah L. Skraba-Joiner; Zeinab G. Khalil; Richard P. Johnson; Robert J. Capon; John A. Porco Jr","Atropselective syntheses of (-) and (+) rugulotrosin A utilizing point-to-axial chirality transfer","Nature Chemistry","2015","7","","234","240","10.1038/nchem.2173","","","1.54178","CuKα","","0.0272","0.027","","","0.074","0.0741","","","","","","1.05","","","","has coordinates,has disorder","216725","2020-10-21","18:00:00",""
"1551962","20.8958","0.0002","12.54925","0.00011","16.04531","0.00016","90","","90","","90","","4207.51","0.07","120","2","120","2","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C33 H77 As N4 Si3 U -","- C33 H77 As N4 Si3 U -","- C132 H308 As4 N16 Si12 U4 -","4","0.5","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.1377","0.1376","","","0.3172","0.3173","","","","","","1.185","","","","has coordinates","216726","2020-10-21","18:00:00",""
"1551963","16.04632","0.00014","12.55844","0.00013","20.9096","0.0002","90","","90","","90","","4213.63","0.07","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H77 As N4 Si3 U -","- C33 H77 As N4 Si3 U -","- C132 H308 As4 N16 Si12 U4 -","4","1","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.1059","0.1052","","","0.2533","0.2537","","","","","","1.302","","","","has coordinates,has disorder","216727","2020-10-21","18:00:00",""
"1551964","16.2073","0.0003","19.3582","0.0003","24.0982","0.0004","90","","104.211","0.0018","90","","7329.3","0.2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H116 As K N4 O10 Si3 U -","- C61 H116 As K N4 O10 Si3 U -","- C244 H464 As4 K4 N16 O40 Si12 U4 -","4","1","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.0756","0.0652","","","0.1762","0.1859","","","","","","1.031","","","","has coordinates,has disorder","216728","2020-10-21","18:00:00",""
"1551965","17.84985","0.00019","34.2192","0.0003","32.8697","0.0003","90","","97.2734","0.0009","90","","19915.5","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40.4 H82.5 As K2 N4 Si3 U -","- C37.5 H79.5 As K2 N4 Si3 U -","- C600 H1272 As16 K32 N64 Si48 U16 -","16","4","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.1293","0.1266","","","0.3242","0.3264","","","","","","1.043","","","","has coordinates,has disorder","279817","2022-12-09","07:50:40",""
"1551966","15.3188","0.0003","18.8965","0.0004","24.8556","0.0003","88.3008","0.0013","89.3347","0.0014","68.8052","0.0019","6705.3","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C52.5 H115.5 As K N6 O6 Si3 U -","- C51 H112 As K N6 O6 Si3 U -","- C204 H448 As4 K4 N24 O24 Si12 U4 -","4","2","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.0577","0.053","","","0.1422","0.1471","","","","","","0.962","","","","has coordinates,has disorder","279817","2022-12-09","07:50:46",""
"1551967","13.1907","0.0004","20.1898","0.0005","22.7981","0.0006","90","","105.065","0.003","90","","5862.9","0.3","120","2","120","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C101 H198 As3 K N8 O10 Si6 U2 -","- C101 H198 As3 K N8 O10 Si6 U2 -","- C202 H396 As6 K2 N16 O20 Si12 U4 -","2","0.5","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.0717","0.0634","","","0.1608","0.1668","","","","","","1.042","","","","has coordinates,has disorder","216731","2020-10-21","18:00:00",""
"1551968","5.556","0.008","5.842","0.008","10.511","0.017","90","","93.54","0.04","90","","340.5","0.9","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H6 F6 -","- C6 H6 F6 -","- C12 H12 F12 -","2","1","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","1.54187","CuKα","","0.0639","0.0604","","","0.1496","0.1519","","","","","","1.036","","","","has coordinates","216732","2020-10-21","18:00:00",""
"1551969","11.166","0.003","12.913","0.003","8.653","0.003","90","","90","","90","","1247.6","0.6","93","","93","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","2","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","0.71075","MoKα","","0.0374","0.0344","","","0.0742","0.0768","","","","","","1.061","","","","has coordinates","216733","2020-10-21","18:00:00",""
"1551970","11.4368","0.0014","11.7139","0.0014","10.7701","0.0013","90","","90","","90","","1442.9","0.3","173","","173","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C6 H8 F4 O2 -","- C6 H8 F4 O2 -","- C48 H64 F32 O16 -","8","2","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","1.54187","CuKα","","0.028","0.0276","","","0.0701","0.0704","","","","","","1.09","","","","has coordinates","216734","2020-10-21","18:00:00",""
"1551971","5.7119","0.0015","5.5655","0.0015","11.244","0.003","90","","93.724","0.008","90","","356.69","0.16","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F5 O -","- C6 H7 F5 O -","- C12 H14 F10 O2 -","2","1","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","0.71075","MoKα","","0.1095","0.0659","","","0.1286","0.1451","","","","","","1.063","","","","has coordinates","216735","2020-10-21","18:00:00",""
"1551972","5.6059","0.0014","7.4253","0.0017","13.076","0.003","90","","97.192","0.003","90","","540","0.2","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 F8 O3 S -","- C7 H6 F8 O3 S -","- C14 H12 F16 O6 S2 -","2","1","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","0.71075","MoKα","","0.0533","0.0522","","","0.1251","0.1257","","","","","","1.059","","","","has coordinates","216736","2020-10-21","18:00:00",""
"1551973","14.3169","0.0003","52.6236","0.001","19.6942","0.0004","90","","90.753","0.001","90","","14836.5","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48.35 H51.66 Cl6.46 N7.34 O1.21 Pd3 -","- C48.106 H48.701 Cl6.45825 N7.345 O0.95825 Pd3 -","- C384.848 H389.608 Cl51.666 N58.76 O7.666 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.1223","0.0724","","","0.1795","0.2112","","","","","","0.961","","","","has coordinates","279817","2022-12-09","07:50:58",""
"1551974","14.3234","0.0003","52.7691","0.001","19.7513","0.0004","90","","90.668","0.001","90","","14927.7","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.22 H52.35 Cl6.56 N7.35 O1.19 Pd3 -","- C48.971 H49.5685 Cl6.56575 N7.3475 O0.92375 Pd3 -","- C391.768 H396.548 Cl52.526 N58.78 O7.39 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.1041","0.0667","","","0.1725","0.198","","","","","","0.989","","","","has coordinates","279817","2022-12-09","07:51:00",""
"1551975","14.3263","0.0003","52.7504","0.001","19.746","0.0004","90","","90.666","0.001","90","","14921.4","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.81 H53.02 Cl6.65 N7.3 O1.28 Pd3 -","- C49.5615 H49.6113 Cl6.6515 N7.29975 O1.03075 Pd3 -","- C396.492 H396.89 Cl53.212 N58.398 O8.246 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.109","0.0676","","","0.1753","0.2039","","","","","","0.987","","","","has coordinates,has disorder","279817","2022-12-09","07:51:01",""
"1551976","14.3197","0.0004","52.525","0.0013","19.6905","0.0005","90","","90.763","0.001","90","","14808.7","0.7","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.21 H52.58 Cl6.58 N7.28 O1.43 Pd3 -","- C48.966 H49.501 Cl6.58075 N7.285 O1.08075 Pd3 -","- C391.728 H396.008 Cl52.646 N58.28 O8.646 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.1347","0.0766","","","0.1994","0.2412","","","","","","0.954","","","","has coordinates,has disorder","279817","2022-12-09","07:51:01",""
"1551977","6.1691","0.0002","10.6043","0.0004","12.4939","0.0005","97.479","0.001","97.453","0.001","99.925","0.001","788.51","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H28 Au N4 -","- C44 H28 Au N4 -","- C44 H28 Au N4 -","1","0.5","","Sebastian Preiss; Christoph Forster; Sven Otto; Matthias Bauer; Patrick Muller; Dariush Hinderberger; Haleh Hashemi Haeri; Luca Carella; Katja Heinze","Structure and reactivity of a mononuclear gold(II) complex","Nature Chemistry","2017","9","","1249","1255","10.1038/nchem.2836","","","0.71073","MoKα","","0.0249","0.0246","","","0.0569","0.0569","","","","","","1.066","","","","has coordinates","216741","2020-10-21","18:00:00",""
"1551978","16.1707","0.0001","13.4756","0.0001","40.4746","0.0003","90","","99.5199","0.0006","90","","8698.35","0.11","150","","150","","","","","","","",".","8","P 1 21/n 1","-P 2yn","14","","","","- C88 H81 B F24 Ga N2 P2 Rh -","- C88 H81 B F24 Ga N2 P2 Rh -","- C352 H324 B4 F96 Ga4 N8 P8 Rh4 -","4","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0719","0.0693","","0.1682","0.1657","0.1682","","","","","","0.9609","","","","has coordinates,has disorder","216742","2020-10-21","18:00:00",""
"1551979","15.8418","0.0002","17.8312","0.0003","19.9771","0.0004","67.4818","0.0016","79.5277","0.0014","88.0398","0.0013","5122.13","0.16","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C87 H114 Al F37 Ga N2 O4 P2 Rh -","- C87 H114 Al F37 Ga N2 O4 P2 Rh -","- C174 H228 Al2 F74 Ga2 N4 O8 P4 Rh2 -","2","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0875","0.0857","","0.2589","0.2565","0.2589","","","","","","1.0248","","","","has coordinates,has disorder","216743","2020-10-21","18:00:00",""
"1551980","11.0613","0.0002","18.6711","0.0003","20.1393","0.0004","87.3183","0.0014","84.9976","0.0015","88.3665","0.0015","4137.67","0.13","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C71 H91 Al F36 Ga N2 O4 P2 Rh -","- C71 H91 Al F36 Ga N2 O4 P2 Rh -","- C142 H182 Al2 F72 Ga2 N4 O8 P4 Rh2 -","2","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0611","0.059","","0.1451","0.1427","0.1451","","","","","","0.9245","","","","has coordinates,has disorder","216744","2020-10-21","18:00:00",""
"1551981","18.3055","0.0004","20.3348","0.0005","22.683","0.0005","95.335","0.002","90.4516","0.0018","93.0358","0.0018","8394.4","0.3","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C72 H93 Al F36 Ga N2 O4 P2 Rh -","- C72 H93 Al F36 Ga N2 O4 P2 Rh -","- C288 H372 Al4 F144 Ga4 N8 O16 P8 Rh4 -","4","2","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0887","0.0775","","0.2101","0.1974","0.2099","","","","","","0.991","","","","has coordinates,has disorder","216745","2020-10-21","18:00:00",""
"1551982","13.5818","0.0002","19.8497","0.0003","19.8951","0.0003","95.6299","0.0012","90.1027","0.0013","91.1299","0.0012","5336.67","0.14","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C95 H119.5 Al F36.5 Ga2 N4 O4 P Rh -","- C95 H119.5 Al F36.5 Ga2 N4 O4 P Rh -","- C190 H239 Al2 F73 Ga4 N8 O8 P2 Rh2 -","2","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0374","0.0362","","0.0935","0.0925","0.0935","","","","","","0.9958","","","","has coordinates,has disorder","216746","2020-10-21","18:00:00",""
"1551988","14.503","0.0011","8.43","0.0006","22.025","0.0013","90","","96.049","0.006","90","","2677.8","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H74 Cl2 Cr2 N4 O2 -","- C58 H74 Cl2 Cr2 N4 O2 -","- C116 H148 Cl4 Cr4 N8 O4 -","2","0.5","","Awal Noor; Germund Glatz; Robert Muller; Martin Kaupp; Serhiy Demeshko; Rhett Kempe","Carboalumination of a chromium-chromium quintuple bond","Nature Chemistry","2009","1","","322","325","10.1038/nchem.255","","","0.71069","MoKα","","0.0665","0.0524","","","0.1395","0.1464","","","","","","1.004","","","","has coordinates","216796","2020-10-21","18:00:00",""
"1551989","11.993","0.0009","12.5339","0.001","12.5675","0.001","62.264","0.006","77.005","0.006","63.04","0.006","1490.1","0.2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H73 Cr2 N4 -","- C65 H73 Cr2 N4 -","- C65 H73 Cr2 N4 -","1","0.5","","Awal Noor; Germund Glatz; Robert Muller; Martin Kaupp; Serhiy Demeshko; Rhett Kempe","Carboalumination of a chromium-chromium quintuple bond","Nature Chemistry","2009","1","","322","325","10.1038/nchem.255","","","0.71073","MoKα","","0.0814","0.064","","","0.186","0.1947","","","","","","1.02","","","","has coordinates","216797","2020-10-21","18:00:00",""
"1551990","12.613","0.001","14.667","0.0012","13.672","0.0012","90","","116.302","0.006","90","","2267.4","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 Cr2 N4 O4 -","- C50 H58 Cr2 N4 O4 -","- C100 H116 Cr4 N8 O8 -","2","0.5","","Awal Noor; Germund Glatz; Robert Muller; Martin Kaupp; Serhiy Demeshko; Rhett Kempe","Carboalumination of a chromium-chromium quintuple bond","Nature Chemistry","2009","1","","322","325","10.1038/nchem.255","","","0.71069","MoKα","","0.0797","0.0528","","","0.123","0.1333","","","","","","1.03","","","","has coordinates","216798","2020-10-21","18:00:00",""
"1551991","5.8389","0.0001","15.0931","0.0003","15.1405","0.0003","90","","90","","90","","1334.29","0.04","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Anna Michrowska; Benjamin List","Concise synthesis of ricciocarpin A and discovery of a more potent analogue","Nature Chemistry","2009","1","","225","228","10.1038/nchem.215","","","0.71073","MoKα","","0.0485","0.0422","","","0.1117","0.1154","","","","","","1.187","","","","has coordinates","216799","2020-10-21","18:00:00",""
"1551992","9.1765","0.0002","10.6118","0.0003","12.1909","0.0003","78.285","0.001","73.718","0.001","84.822","0.001","1115.09","0.05","100","","100","","","","","","","","CH2Cl2/pentane","6","P -1","-P 1","2","","","","- C26 H20 Au Cl N P -","- C26 H20 Au Cl N P -","- C52 H40 Au2 Cl2 N2 P2 -","2","1","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0386","0.0319","","","0.0724","0.0758","","","","","","1.024","","","","has coordinates","216800","2020-10-21","18:00:00",""
"1551993","9.8724","0.0008","20.8516","0.0017","27.507","0.002","90","","90","","90","","5662.5","0.8","100","","100","","","","","","","","CH2Cl2/Pentane","5","P b c a","-P 2ac 2ab","61","","","","- C33 H25 Au Cl3 P -","- C33 H25 Au Cl3 P -","- C264 H200 Au8 Cl24 P8 -","8","1","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0324","0.0208","","","0.0438","0.0487","","","","","","1.108","","","","has coordinates","216801","2020-10-21","18:00:00",""
"1551994","12.9659","0.001","12.8496","0.001","14.088","0.0011","90","","93.714","0.002","90","","2342.2","0.3","100","","100","","","","","","","","dichloromethane/pentane","6","P 1 21/n 1","-P 2yn","14","","1-triphenylphosphine-2,2-dethoxy-ethen-1-yl-chloro-gold(ii)","","- C24 H25 Au Cl O2 P -","- C24 H25 Au Cl O2 P -","- C96 H100 Au4 Cl4 O8 P4 -","4","1","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0258","0.0182","","","0.0534","0.058","","","","","","1.225","","","","has coordinates","216802","2020-10-21","18:00:00",""
"1551995","13.4522","0.0004","13.3471","0.0004","15.5809","0.0004","90","","94.674","0.001","90","","2788.21","0.14","100","","100","","","","","","","","dichloromethane/diethylether","6","P 1 21/n 1","-P 2yn","14","","1,1-di(chloro-gold(i))-2,2-di(ethoxy)vinylidene-triphenylphosphorane","","- C25 H27 Au2 Cl4 O2 P -","- C25 H27 Au2 Cl4 O2 P -","- C100 H108 Au8 Cl16 O8 P4 -","4","1","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0551","0.036","","","0.0762","0.0831","","","","","","1.041","","","","has coordinates","216803","2020-10-21","18:00:00",""
"1551996","9.0467","0.0002","16.8611","0.0004","16.2834","0.0004","90","","96.975","0.001","90","","2465.44","0.1","100","","100","","","","","","","","DCM / pentane","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl3 Ga O2 P -","- C24 H25 Cl3 Ga O2 P -","- C96 H100 Cl12 Ga4 O8 P4 -","4","1","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0495","0.034","","","0.0784","0.0845","","","","","","1.041","","","","has coordinates","216804","2020-10-21","18:00:00",""
"1551997","9.7142","0.0003","36.4547","0.001","14.5834","0.0004","90","","96.126","0.001","90","","5134.9","0.3","100","","100","","","","","","","","DCM/pentane","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cl3 Ga N O P -","- C24 H26 Cl3 Ga N O P -","- C192 H208 Cl24 Ga8 N8 O8 P8 -","8","2","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0609","0.0454","","","0.1045","0.1141","","","","","","1.012","","","","has coordinates","216805","2020-10-21","18:00:00",""
"1551998","10.996","0.0013","14.7856","0.0017","11.4661","0.0013","90","","100.023","0.002","90","","1835.7","0.4","100","","100","","","","","","","","CH3CN/Et2O","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 Cl2 N4 O8 -","- C11 H26 Cl2 N4 O8 -","- C44 H104 Cl8 N16 O32 -","4","1","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0682","0.0581","","","0.193","0.2071","","","","","","0.97","","","","has coordinates","216806","2020-10-21","18:00:00",""
"1551999","10.532","0.002","10.628","0.002","27.069","0.005","90","","90","","90","","3029.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 Cl2 N O4 -","- C30 H41 Cl2 N O4 -","- C120 H164 Cl8 N4 O16 -","4","1","","Jaya Prakash Das; Helena Chechik; Ilan Marek","A unique approach to aldol products for the creation of all-carbon quaternary stereocentres","Nature Chemistry","2009","1","","128","132","10.1038/nchem.131","","","0.71073","MoKα","","0.1554","0.0704","","","0.1695","0.1878","","","","","","0.872","","","","has coordinates","216807","2020-10-21","18:00:00",""
"1552000","10.136","0.002","11.062","0.002","24.411","0.005","90","","90","","90","","2737.1","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 N O4 -","- C29 H39 N O4 -","- C116 H156 N4 O16 -","4","1","","Jaya Prakash Das; Helena Chechik; Ilan Marek","A unique approach to aldol products for the creation of all-carbon quaternary stereocentres","Nature Chemistry","2009","1","","128","132","10.1038/nchem.131","","","0.71073","MoKα","","0.112","0.0502","","","0.1085","0.1205","","","","","","0.981","","","","has coordinates","216809","2020-10-21","18:00:00",""
"1552001","9.512","0.0013","9.512","0.0013","3.987","0.0008","90","","90","","120","","312.41","0.09","173","2","173","2","","","","","","","","5","P 3","P 3","143","Trisodiumbenzenetrihydroxytrisulfonate","","","- C2 H0 Na O4 S -","- C2 Na O4 S -","- C6 Na3 O12 S3 -","3","1","","Jeff A. Hurd; Ramanathan Vaidhyanathan; Venkataraman Thangadurai; Christopher I. Ratcliffe; Igor L. Moudrakovski; George K. H. Shimizu","Anhydrous proton conduction at 150 C in a crystalline metal-organic framework","Nature Chemistry","2009","1","","705","710","10.1038/nchem.402","","","0.71073","MoKα","","0.0418","0.0324","","","0.0652","0.0689","","","","","","1.117","","","","has coordinates,has disorder","216810","2020-10-21","18:00:00",""
"1552002","31.5447","0.0004","15.1571","0.0002","16.326","0.0003","90","","102.94","0.0007","90","","7607.7","0.2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H56 B Cl Ge N4 -","- C37 H56 B Cl Ge N4 -","- C296 H448 B8 Cl8 Ge8 N32 -","8","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","0.71073","MoKα","","0.0631","0.0469","","0.1164","0.1011","0.1164","","","","","","0.9075","","","","has coordinates","216811","2020-10-21","18:00:00",""
"1552003","51.304","0.002","13.7692","0.0006","27.1756","0.0005","90","","101.731","0.003","90","","18796.3","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H92 B2 Ge2 N6 -","- C63 H92 B2 Ge2 N6 -","- C504 H736 B16 Ge16 N48 -","8","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","1.5418","CuKα","","0.1066","0.0793","","","0.2115","0.2418","","","","","","1.12","","","","has coordinates","216812","2020-10-21","18:00:00",""
"1552004","26.718","0.005","18.519","0.004","14.938","0.003","90","","108.53","0.03","90","","7008","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H44 B Ge K N2 -","- C33 H44 B Ge K N2 -","- C264 H352 B8 Ge8 K8 N16 -","8","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","0.71073","MoKα","","0.0985","0.0639","","","0.1663","0.1797","","","","","","1.088","","","","has coordinates,has disorder","216813","2020-10-21","18:00:00",""
"1552005","16.8587","0.0002","19.0488","0.0002","19.5197","0.0002","90","","90","","90","","6268.52","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H94 B2 Ge2 N6 -","- C63 H94 B2 Ge2 N6 -","- C252 H376 B8 Ge8 N24 -","4","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","1.5418","CuKα","","0.0297","0.029","","","0.0975","0.0992","","","","","","0.883","","","","has coordinates,has disorder","216814","2020-10-21","18:00:00",""
"1552006","22.4542","0.0007","10.5244","0.0003","23.651","0.0008","90","","112.271","0.004","90","","5172.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H72 B2 Ge2 N4 -","- C52 H72 B2 Ge2 N4 -","- C208 H288 B8 Ge8 N16 -","4","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","1.5418","CuKα","","0.0442","0.0337","","","0.0884","0.0979","","","","","","1.006","","","","has coordinates","216815","2020-10-21","18:00:00",""
"1552007","13.6923","0.0003","12.3401","0.0002","15.7584","0.0004","90","","97.648","0.002","90","","2638.92","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H76 B2 Ge2 N4 -","- C52 H76 B2 Ge2 N4 -","- C104 H152 B4 Ge4 N8 -","2","0.5","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","1.5418","CuKα","","0.0346","0.0299","","","0.0826","0.0881","","","","","","1.033","","","","has coordinates","216816","2020-10-21","18:00:00",""
"1552008","10.7341","0.0003","19.6772","0.0006","17.8417","0.0005","90","","104.847","0.003","90","","3642.65","0.19","150.01","0.11","150.01","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H63 Th -","- C39 H63 Th -","- C156 H252 Th4 -","4","1","","Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills","Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy","Nature Chemistry","2017","9","","578","583","10.1038/nchem.2692","","","0.71073","MoKα","","0.048","0.0358","","","0.0611","0.0652","","","","","","1.015","","","","has coordinates","216817","2020-10-21","18:00:00",""
"1552009","10.7925","0.0006","19.3497","0.001","17.8721","0.0012","90","","104.314","0.006","90","","3616.4","0.4","150.02","0.14","150.02","0.14","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H63 U -","- C39 H63 U -","- C156 H252 U4 -","4","1","","Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills","Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy","Nature Chemistry","2017","9","","578","583","10.1038/nchem.2692","","x-ray","0.71073","MoKα","","0.1249","0.0588","","","0.085","0.0983","","","","","","0.969","","","","has coordinates","216818","2020-10-21","18:00:00",""
"1552010","20.1","0.002","21.4218","0.0008","20.1165","0.0015","90","","118.596","0.011","90","","7605.1","1.3","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 Cl U -","- C39 H63 Cl U -","- C312 H504 Cl8 U8 -","8","2","","Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills","Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy","Nature Chemistry","2017","9","","578","583","10.1038/nchem.2692","","","0.71073","MoKα","","0.1207","0.0613","","","0.0976","0.118","","","","","","1.028","","","","has coordinates","216819","2020-10-21","18:00:00",""
"1552011","18.991","0.0014","14.9865","0.0011","10.1443","0.0008","90","","110.321","0.001","90","","2707.5","0.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Np(L)Cl","","- C32 H36 Cl N2 Np -","- C32 H36 Cl N2 Np -","- C128 H144 Cl4 N8 Np4 -","4","0.5","","Michal S. Dutkiewicz; Joy H. Farnaby; Christos Apostolidis; Eric Colineau; Olaf Walter; Nicola Magnani; Michael G. Gardiner; Jason B. Love; Nikolas Kaltsoyannis; Roberto Caciuffo; Polly L. Arnold","Organometallic neptunium(III) complexes","Nature Chemistry","2016","8","","797","802","10.1038/nchem.2520","","","0.71073","MoKα","","0.0204","0.0195","","","0.0498","0.0505","","","","","","1.084","","","","has coordinates","216820","2020-10-21","18:00:00",""
"1552012","10.5639","0.0007","13.6771","0.0008","18.1083","0.0011","75.147","0.001","75.732","0.001","84.334","0.001","2449.2","0.3","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","Np2Cl4(L)(THF)3","","- C46 H64 Cl4 N2 Np2 O3.5 -","- C46 H64 Cl4 N2 Np2 O3.5 -","- C92 H128 Cl8 N4 Np4 O7 -","2","1","","Michal S. Dutkiewicz; Joy H. Farnaby; Christos Apostolidis; Eric Colineau; Olaf Walter; Nicola Magnani; Michael G. Gardiner; Jason B. Love; Nikolas Kaltsoyannis; Roberto Caciuffo; Polly L. Arnold","Organometallic neptunium(III) complexes","Nature Chemistry","2016","8","","797","802","10.1038/nchem.2520","","","0.71073","MoKα","","0.0717","0.0414","","","0.0871","0.0997","","","","","","1","","","","has coordinates","216821","2020-10-21","18:00:00",""
"1552013","10.205","0.003","20.025","0.005","17.8","0.004","90","","105.645","0.005","90","","3502.8","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 K N2 Np O3 -","- C37 H48 K N2 Np O3 -","- C148 H192 K4 N8 Np4 O12 -","4","1","","Michal S. Dutkiewicz; Joy H. Farnaby; Christos Apostolidis; Eric Colineau; Olaf Walter; Nicola Magnani; Michael G. Gardiner; Jason B. Love; Nikolas Kaltsoyannis; Roberto Caciuffo; Polly L. Arnold","Organometallic neptunium(III) complexes","Nature Chemistry","2016","8","","797","802","10.1038/nchem.2520","","","0.71073","MoKα","","0.1405","0.0664","","","0.1108","0.125","","","","","","0.978","","","","has coordinates","216822","2020-10-21","18:00:00",""
"1552014","4.9826","","4.9826","","9.9548","","90","","90","","90","","247.141","","","","","","","","","","","","","2","P 4/n c c :2","-P 4a 2ac","130","","","","- O5 Xe2 -","- O5 Xe2 -","- O20 Xe8 -","4","0.25","","Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune","Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure","Nature Chemistry","2016","8","","784","790","10.1038/nchem.2528","","","","","","","","","","","","","","","","","","","","","has coordinates","216823","2020-10-21","18:00:00",""
"1552015","10.0009","","3.206","","11.0813","","90","","93.325","","90","","354.7","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- O Xe2 -","- O Xe2 -","- O8 Xe16 -","8","1","","Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune","Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure","Nature Chemistry","2016","8","","784","790","10.1038/nchem.2528","","","","","","","","","","","","","","","","","","","","","has coordinates","216824","2020-10-21","18:00:00",""
"1552016","8.5363","","3.2173","","4.9636","","90","","90","","90","","136.32","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- O2 Xe3 -","- O2 Xe3 -","- O4 Xe6 -","2","0.125","","Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune","Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure","Nature Chemistry","2016","8","","784","790","10.1038/nchem.2528","","","","","","","","","","","","","","","","","","","","","has coordinates","216825","2020-10-21","18:00:00",""
"1552017","3.5614","","5.7987","","4.4054","","90","","90","","90","","90.978","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O2 Xe -","- O2 Xe -","- O8 Xe4 -","4","0.5","","Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune","Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure","Nature Chemistry","2016","8","","784","790","10.1038/nchem.2528","","","","","","","","","","","","","","","","","","","","","has coordinates","216826","2020-10-21","18:00:00",""
"1552018","7.6536","","3.2888","","4.5277","","90","","90","","90","","113.967","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- O3 Xe -","- O3 Xe -","- O12 Xe4 -","4","1","","Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune","Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure","Nature Chemistry","2016","8","","784","790","10.1038/nchem.2528","","","","","","","","","","","","","","","","","","","","","has coordinates","216827","2020-10-21","18:00:00",""
"1552019","9.321","0.0005","15.264","0.0009","16.653","0.0007","74.721","0.004","84.365","0.004","78.162","0.004","2234.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(NE,N'E,N''E,N'''E)-4,4',4'',4'''-(ethene-1,1,2,2-tetrayl)tetrakis(N-benzylideneaniline)","","- C56 H44 Cl2 N4 -","- C56 H44 Cl2 N4 -","- C112 H88 Cl4 N8 -","2","1","","Laura Ascherl; Torben Sick; Johannes T. Margraf; Saul H. Lapidus; Mona Calik; Christina Hettstedt; Konstantin Karaghiosoff; Markus Doblinger; Timothy Clark; Karena W. Chapman; Florian Auras; Thomas Bein","Molecular docking sites designed for the generation of highly crystalline covalent organic frameworks","Nature Chemistry","2016","8","","310","316","10.1038/nchem.2444","","","0.71073","MoKα","","0.0874","0.0526","","","0.1212","0.1422","","","","","","1.022","","","","has coordinates,has disorder","216828","2020-10-21","18:00:00",""
"1552020","14.393","0.0011","14.6571","0.0011","18.8797","0.0014","87.4893","0.0009","86.8843","0.0009","60.8258","0.0008","3471.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114.93 H54.85 Cl1.84 N4 Ni O0.96 -","- C114.94 H54.88 Cl1.836 N4 Ni O0.97 -","- C229.88 H109.76 Cl3.672 N8 Ni2 O1.94 -","2","1","","Rui Zhang; Michihisa Murata; Tomoko Aharen; Atsushi Wakamiya; Takafumi Shimoaka,; Takeshi Hasegawa; Yasujiro Murata","Synthesis of a distinct water dimer inside fullerene C70","Nature Chemistry","2016","8","","435","441","10.1038/nchem.2464","","","0.71073","MoKα","","0.0423","0.0363","","","0.0869","0.0908","","","","","","1.03","","","","has coordinates,has disorder","216829","2020-10-21","18:00:00",""
"1552021","10.7048","0.0008","10.2381","0.0008","30.816","0.002","90","","92.257","0.002","90","","3374.7","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 Br F O P Pd S -","- C37 H47 Br F O P Pd S -","- C148 H188 Br4 F4 O4 P4 Pd4 S4 -","4","1","","Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa","A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle","Nature Chemistry","2016","8","","860","866","10.1038/nchem.2543","","","0.71073","MoKα","","0.074","0.0557","","","0.0965","0.101","","","","","","1.232","","","","has coordinates","216830","2020-10-21","18:00:00",""
"1552022","11.0067","0.0004","11.0733","0.0004","13.4281","0.0004","90","","90","","90","","1636.62","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Br F O S -","- C19 H14 Br F O S -","- C76 H56 Br4 F4 O4 S4 -","4","1","","Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa","A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle","Nature Chemistry","2016","8","","860","866","10.1038/nchem.2543","","","0.71073","MoKα","","0.0159","0.0152","","","0.0387","0.0389","","","","","","1.101","","","","has coordinates","216831","2020-10-21","18:00:00",""
"1552023","7.3598","0.0003","14.3822","0.0004","15.5984","0.0005","90","","90","","90","","1651.09","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Br F O S -","- C19 H14 Br F O S -","- C76 H56 Br4 F4 O4 S4 -","4","1","","Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa","A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle","Nature Chemistry","2016","8","","860","866","10.1038/nchem.2543","","","0.71073","MoKα","","0.0227","0.0209","","","0.0481","0.0491","","","","","","1.095","","","","has coordinates","216832","2020-10-21","18:00:00",""
"1552024","11.8433","0.0014","16.994","0.002","12.4738","0.0014","90","","102.967","0.003","90","","2446.5","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F3 N5 O4 S -","- C24 H20 F3 N5 O4 S -","- C96 H80 F12 N20 O16 S4 -","4","1","","Qi-Qiang Wang; Sergio Gonell; Stefan H. A. M. Leenders; Maximilian Durr; Ivana Ivanovic-Burmazovic; Joost N. H. Reek","Self-assembled nanospheres with multiple endohedral binding sites pre-organize catalysts and substrates for highly efficient reactions","Nature Chemistry","2016","8","","225","230","10.1038/nchem.2425","","","0.71073","MoKα","","0.0584","0.0413","","","0.1038","0.1176","","","","","","0.912","","","","has coordinates","216833","2020-10-21","18:00:00",""
"1552025","19.8738","0.0016","19.8738","0.0016","19.8738","0.0016","90","","90","","90","","7849.5","1.1","100","2","100.15","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C86 H123 K N2 O10 U -","- C86.0001 H123 K N2 O10 U -","- C344 H492.001 K4 N8 O40 U4 -","4","0.333333","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0389","0.0336","","","0.0721","0.0737","","","","","","1.081","","","","has coordinates,has disorder","216834","2020-10-21","18:00:00",""
"1552026","15.4665","0.0005","18.133","0.0007","19.847","0.0007","90","","92.049","0.003","90","","5562.6","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H86 N3 O3 U -","- C67 H86 N3 O3 U -","- C268 H344 N12 O12 U4 -","4","1","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0338","0.0228","","","0.0472","0.0506","","","","","","1.031","","","","has coordinates","216835","2020-10-21","18:00:00",""
"1552027","41.761","0.002","15.8422","0.0006","24.5005","0.0015","90","","124.439","0.003","90","","13368.2","1.3","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C79 H107 O8 U -","- C79 H107 O8 U -","- C632 H856 O64 U8 -","8","1","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0373","0.026","","","0.0608","0.0655","","","","","","1.05","","","","has coordinates,has disorder","216836","2020-10-21","18:00:00",""
"1552028","11.36","0.002","25.522","0.005","22.856","0.004","90","","97.314","0.003","90","","6573","2","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H105 N3 O7 Si U -","- C70 H105 N3 O7 Si U -","- C280 H420 N12 O28 Si4 U4 -","4","1","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0343","0.0267","","","0.0655","0.0689","","","","","","1.066","","","","has coordinates,has disorder","216837","2020-10-21","18:00:00",""
"1552029","13.8326","0.0004","28.3948","0.0005","15.8845","0.0004","90","","109.685","0.003","90","","5874.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H57 Cl6 O3 Os P3 -","- C65 H57 Cl6 O3 Os P3 -","- C260 H228 Cl24 O12 Os4 P12 -","4","1","","Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia","Stabilization of anti-aromatic and strained five-membered rings with a transition metal","Nature Chemistry","2013","5","","698","703","10.1038/nchem.1690","","","0.71073","MoKα","","0.0405","0.0267","","","0.0488","0.0502","","","","","","0.909","","","","has coordinates","216838","2020-10-21","18:00:00",""
"1552030","13.8145","0.0006","15.1705","0.0006","17.3902","0.0006","80.617","0.003","81.263","0.003","63.058","0.004","3192.9","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H58 B2 Cl5 F8 O3 Os P3 -","- C65 H58 B2 Cl5 F8 O3 Os P3 -","- C130 H116 B4 Cl10 F16 O6 Os2 P6 -","2","1","","Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia","Stabilization of anti-aromatic and strained five-membered rings with a transition metal","Nature Chemistry","2013","5","","698","703","10.1038/nchem.1690","","","0.71073","MoKα","","0.0749","0.0456","","","0.0697","0.0726","","","","","","0.997","","","","has coordinates","216839","2020-10-21","18:00:00",""
"1552031","13.501","0.0003","11.592","0.0003","41.963","0.001","90","","93.416","0.002","90","","6555.7","0.3","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C67.5 H60 B Cl5.5 F4 O2 Os P3 S -","- C67.5 H60 B Cl5.5 F4 O2 Os P3 S -","- C270 H240 B4 Cl22 F16 O8 Os4 P12 S4 -","4","1","","Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia","Stabilization of anti-aromatic and strained five-membered rings with a transition metal","Nature Chemistry","2013","5","","698","703","10.1038/nchem.1690","","","0.71073","MoKα","","0.0849","0.065","","","0.1197","0.1264","","","","","","1.189","","","","has coordinates","216840","2020-10-21","18:00:00",""
"1552032","11.9255","0.0006","16.0492","0.0008","16.8145","0.0009","66.863","0.005","80.698","0.004","80.809","0.004","2904","0.3","133","2","133","2","","","","","","","","9","P -1","-P 1","2","","","","- C70 H58 B Cl F4 N O2 Os P3 -","- C70 H58 B Cl F4 N O2 Os P3 -","- C140 H116 B2 Cl2 F8 N2 O4 Os2 P6 -","2","1","","Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia","Stabilization of anti-aromatic and strained five-membered rings with a transition metal","Nature Chemistry","2013","5","","698","703","10.1038/nchem.1690","","","0.71073","MoKα","","0.0782","0.0557","","","0.0981","0.1111","","","","","","0.911","","","","has coordinates","216841","2020-10-21","18:00:00",""
"1552038","11.6074","0.0007","27.348","0.0014","15.1345","0.0009","90","","97.21","0.003","90","","4766.3","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H58 B Cl2 Fe2 N O S2 -","- C52 H58 B Cl2 Fe2 N O S2 -","- C208 H232 B4 Cl8 Fe8 N4 O4 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0559","0.0384","","","0.0935","0.1003","","","","","","1.047","","","","has coordinates","216856","2020-10-21","18:00:00",""
"1552039","10.788","0.0003","15.1458","0.0005","16.0306","0.0006","85.671","0.002","80.231","0.002","70.333","0.002","2430.25","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 Fe2 S2 -","- C26 H34 Fe2 S2 -","- C104 H136 Fe8 S8 -","4","2","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0337","0.0286","","","0.0722","0.0745","","","","","","1.049","","","","has coordinates","216857","2020-10-21","18:00:00",""
"1552040","10.782","0.008","11.971","0.009","27.44","0.02","90","","97.181","0.009","90","","3514","5","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 F6 Fe2 N2 O P S2 -","- C30 H44 F6 Fe2 N2 O P S2 -","- C120 H176 F24 Fe8 N8 O4 P4 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0587","0.0447","","","0.1391","0.1489","","","","","","1.076","","","","has coordinates","216858","2020-10-21","18:00:00",""
"1552041","20.976","0.014","8.383","0.005","15.189","0.01","90","","90","","90","","2671","3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C27 H38 Fe2 N2 S2 -","- C27 H37 Fe2 N2 S2 -","- C108 H148 Fe8 N8 S8 -","4","0.5","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0748","0.0493","","","0.1297","0.1427","","","","","","1.05","","","","has coordinates","216859","2020-10-21","18:00:00",""
"1552042","11.8105","0.0015","21.889","0.003","12.4062","0.0016","90","","105.239","0.001","90","","3094.5","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 F6 Fe2 N2 P S2 -","- C27 H38 F6 Fe2 N2 P S2 -","- C108 H152 F24 Fe8 N8 P4 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.049","0.0409","","","0.1198","0.1254","","","","","","1.059","","","","has coordinates","216860","2020-10-21","18:00:00",""
"1552043","13.0962","0.0003","17.5004","0.0004","19.4221","0.0004","113.607","0.002","96.424","0.002","108.902","0.002","3705.95","0.18","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H65 B F24 Fe2 N2 O2 S2 -","- C66 H65 B F24 Fe2 N2 O2 S2 -","- C132 H130 B2 F48 Fe4 N4 O4 S4 -","2","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.1395","0.0685","","","0.1777","0.1932","","","","","","0.958","","","","has coordinates,has disorder","216861","2020-10-21","18:00:00",""
"1552044","12.79","0.005","9.938","0.004","36.438","0.013","90","","100.079","0.004","90","","4560","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H59 B Fe2 N2 S2 -","- C51 H59 B Fe2 N2 S2 -","- C204 H236 B4 Fe8 N8 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.1022","0.0518","","","0.1145","0.1297","","","","","","0.962","","","","has coordinates","216862","2020-10-21","18:00:00",""
"1552045","12.471","0.0003","19.5462","0.0005","18.2725","0.0005","90","","90.138","0.002","90","","4454.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 B Fe2 N S2 -","- C50 H56 B Fe2 N S2 -","- C200 H224 B4 Fe8 N4 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0608","0.0456","","","0.1281","0.1374","","","","","","1.072","","","","has coordinates","216863","2020-10-21","18:00:00",""
"1552046","12.5508","0.0005","19.5577","0.0008","18.2624","0.0007","90","","90.383","0.003","90","","4482.7","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H58 B Fe2 N S2 -","- C51 H58 B Fe2 N S2 -","- C204 H232 B4 Fe8 N4 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.1322","0.0704","","","0.1859","0.2075","","","","","","1.079","","","","has coordinates","216864","2020-10-21","18:00:00",""
"1552047","17.3865","0.001","25.0127","0.0011","15.0576","0.0011","90","","90","","90","","6548.3","0.7","120","2","120","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C88 H56 Fe2 N9 -","- C88 H56 Fe2 N9 -","- C352 H224 Fe8 N36 -","4","0.5","","Evgeny V. Kudrik; Pavel Afanasiev; Leonardo X. Alvarez; Patrick Dubourdeaux; Martin Clemancey; Jean-Marc Latour; Genevieve Blondin; Denis Bouchu; Florian Albrieux; Sergey E. Nefedov; Alexander B. Sorokin","An N-bridged high-valent diiron-oxo species on a porphyrin platform that can oxidize methane","Nature Chemistry","2012","4","","1024","1029","10.1038/nchem.1471","","","0.71073","MoKα","","0.0605","0.0439","","","0.0805","0.0856","","","","","","0.881","","","","has coordinates","216865","2020-10-21","18:00:00",""
"1552048","18.928","0.002","18.409","0.003","27.12","0.004","90","","104.089","0.001","90","","9166","2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C120 H96 Fe2 N9 -","- C120 H96 Fe2 N9 -","- C480 H384 Fe8 N36 -","4","0.5","","Evgeny V. Kudrik; Pavel Afanasiev; Leonardo X. Alvarez; Patrick Dubourdeaux; Martin Clemancey; Jean-Marc Latour; Genevieve Blondin; Denis Bouchu; Florian Albrieux; Sergey E. Nefedov; Alexander B. Sorokin","An N-bridged high-valent diiron-oxo species on a porphyrin platform that can oxidize methane","Nature Chemistry","2012","4","","1024","1029","10.1038/nchem.1471","","","0.71073","MoKα","","0.0947","0.0487","","","0.0882","0.0978","","","","","","0.901","","","","has coordinates","216866","2020-10-21","18:00:00",""
"1552049","6.8495","0.0014","18.809","0.004","7.2113","0.0015","90","","101.364","0.007","90","","910.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Californium(III) Borate","","","- B6 Cf H5 O13 -","- B6 Cf H5 O13 -","- B24 Cf4 H20 O52 -","4","0.5","","Matthew J. Polinski; Edward B. Garner III; Remi Maurice; Nora Planas; Jared T. Stritzinger; T. Gannon Parker; Justin N. Cross; Thomas D. Green; Evgeny V. Alekseev; Shelley M. Van Cleve; Wulf Depmeier; Laura Gagliardi; Michael Shatruk; Kenneth L. Knappenberger; Guokui Liu; S. Skanthakumar; Lynda Soderholm; David A. Dixon; Thomas E. Albrecht-Schmitt","Unusual structure, bonding and properties in a californium borate","Nature Chemistry","2014","6","","387","392","10.1038/nchem.1896","","","0.71073","MoKα","","0.0384","0.0277","","","0.0466","0.0547","","","","","","1.147","","","","has coordinates","216867","2020-10-21","18:00:00",""
"1552050","8.246","0.0016","16.988","0.003","16.411","0.003","90","","101.3","0.03","90","","2254.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 N2 O3 P Ru -","- C22 H31 N2 O3 P Ru -","- C88 H124 N8 O12 P4 Ru4 -","4","1","","Ekambaram Balaraman; Eugene Khaskin; Gregory Leitus; David Milstein","Catalytic transformation of alcohols to carboxylic acid salts and H2 using water as the oxygen atom source","Nature Chemistry","2013","5","","122","125","10.1038/nchem.1536","","","0.71073","MoKα","","0.064","0.0512","","","0.1049","0.11","","","","","","1.113","","","","has coordinates,has disorder","216868","2020-10-21","18:00:00",""
"1552051","11.2408","0.001","4.6467","0.0004","25.9293","0.0019","90","","99.857","0.005","90","","1334.36","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H14 Br4 N4 -","- C34 H14 Br4 N4 -","- C68 H28 Br8 N8 -","2","0.5","","Wei Liu; Xin Luo; Yang Bao; Yan Peng Liu; Guo-Hong Ning; Ibrahim Abdelwahab; Linjun Li; Chang Tai Nai; Zhi Gang Hu; Dan Zhao; Bin Liu; Su Ying Quek; Kian Ping Loh","A two-dimensional conjugated aromatic polymer via C-C coupling reaction","Nature Chemistry","2017","9","","563","570","10.1038/nchem.2696","","","1.54178","CuKα","","0.0532","0.0501","","","0.122","0.1253","","","","","","1.162","","","","has coordinates","216869","2020-10-21","18:00:00",""
"1552052","3.77","0.0006","16.615","0.002","17.088","0.003","90","","95.723","0.006","90","","1065","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 N4 -","- C34 H18 N4 -","- C68 H36 N8 -","2","0.5","","Wei Liu; Xin Luo; Yang Bao; Yan Peng Liu; Guo-Hong Ning; Ibrahim Abdelwahab; Linjun Li; Chang Tai Nai; Zhi Gang Hu; Dan Zhao; Bin Liu; Su Ying Quek; Kian Ping Loh","A two-dimensional conjugated aromatic polymer via C-C coupling reaction","Nature Chemistry","2017","9","","563","570","10.1038/nchem.2696","","","0.71073","MoKα","","0.1135","0.0904","","","0.2791","0.3065","","","","","","1.272","","","","has coordinates","216870","2020-10-21","18:00:00",""
"1552053","28.134","0.002","15.138","0.0012","19.4067","0.0014","90","","90","","90","","8265.2","1.1","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C72.5 H40 N12.8 O22.91 Pd2 -","- C72.5 H40 N12.788 O22.864 Pd2 -","- C290 H160 N51.152 O91.456 Pd8 -","4","0.5","","Aleksandr V. Zhukhovitskiy; Mingjiang Zhong; Eric G. Keeler; Vladimir K. Michaelis; Jessie E. P. Sun; Michael J. A. Hore; Darrin J. Pochan; Robert G. Griffin; Adam P. Willard; Jeremiah A. Johnson","Highly branched and loop-rich gels via formation of metal-organic cages linked by polymers","Nature Chemistry","2016","8","","33","41","10.1038/nchem.2390","","","0.71073","MoKα","","0.1056","0.0761","","","0.2273","0.2592","","","","","","1.058","","","","has coordinates,has disorder","216871","2020-10-21","18:00:00",""
"1552054","22.2055","0.0011","22.2055","0.0011","33.1729","0.0017","90","","90","","120","","14165.6","1.2","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C162 H90 O47 Y9 -","- C162 H90 O47 Y9 -","- C324 H180 O94 Y18 -","2","0.0833333","","Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi","Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks","Nature Chemistry","2014","6","","673","680","10.1038/nchem.1982","","","1.54178","CuKα","","0.1102","0.0735","","","0.1998","0.2153","","","","","","0.978","","","","has coordinates,has disorder","216872","2020-10-21","18:00:00",""
"1552055","37.1384","0.0013","37.1384","0.0013","74.478","0.004","90","","90","","120","","88962","6","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C72 H35 Cu3 N O15 -","- C72.5 H35 Cu3 N O15 -","- C870 H420 Cu36 N12 O180 -","12","0.5","","Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi","Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks","Nature Chemistry","2014","6","","673","680","10.1038/nchem.1982","","","1.54178","CuKα","","0.0969","0.0638","","","0.1697","0.1846","","","","","","1.02","","","","has coordinates,has disorder","216873","2020-10-21","18:00:00",""
"1552056","15.2613","0.0009","15.2613","0.0009","19.903","0.0015","90","","90","","90","","4635.6","0.5","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C80 H59 F11 N2 O37 Tb6 -","- C79.5 H59 F11 N2 O37 Tb6 -","- C159 H118 F22 N4 O74 Tb12 -","2","0.125","","Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi","Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks","Nature Chemistry","2014","6","","673","680","10.1038/nchem.1982","","","1.54178","CuKα","","0.0509","0.0435","","","0.1304","0.1384","","","","","","1.08","","","","has coordinates,has disorder","216874","2020-10-21","18:00:00",""
"1552057","14.0129","0.001","14.6036","0.001","4.7205","0.0003","90","","90","","90","","966","0.11","100","","100","","","","","","","","Synthesised.","5","P 21 21 2","P 2 2ab","18","Zinc(GlySer)2 H2O MeOH","Zinc(GlySer)2 H2O MeOH","","- C11.67 H26.67 N4 O10.67 Zn -","- C11.66 H26.64 N4 O10.66 Zn -","- C23.32 H53.28 N8 O21.32 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.710747","MoKα","K-L~3~","0.0586","0.0486","","","0.1197","0.1268","","","","","","1.045","","","","has coordinates,has disorder","216875","2020-10-21","18:00:00",""
"1552058","13.8742","0.0006","14.606","0.0007","4.7321","0.0002","90","","90","","90","","958.94","0.07","100.15","","100.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Zn[(GlyAla)0.5(GlySer)0.5]2 H2O MeOH","","- C10.67 H18 N4 O7.97 Zn -","- C10.66 H18 N4 O7.96 Zn -","- C21.32 H36 N8 O15.92 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","","0.71073","MoKα","","0.072","0.0643","","","0.1779","0.1885","","","","","","1.137","","","","has coordinates,has disorder","216876","2020-10-21","18:00:00",""
"1552059","13.6542","0.0006","14.8585","0.0006","4.7251","0.0002","90","","90","","90","","958.63","0.07","100.15","","100.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Zn[(GlyAla)0.5(GlyThr)0.5]2 H2O MeOH","","- C11.5 H18 N4 O8 Zn -","- C11.5 H18 N4 O8 Zn -","- C23 H36 N8 O16 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.710747","MoKα","K-L~3~","0.0505","0.0478","","","0.1339","0.1372","","","","","","1.068","","","","has coordinates,has disorder","216877","2020-10-21","18:00:00",""
"1552060","11.4558","0.001","13.0673","0.001","7.7695","0.0006","90","","126.716","0.004","90","","932.32","0.14","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H20 N4 O9.5 Zn -","- C12 H20 N4 O9.5 Zn -","- C24 H40 N8 O19 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.710747","MoKα","K-L~3~","0.0558","0.0498","","","0.1131","0.1174","","","","","","1.082","","","","has coordinates,has disorder","216878","2020-10-21","18:00:00",""
"1552061","13.8808","0.001","14.6838","0.0011","4.7401","0.0003","90","","90","","90","","966.14","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12.43 H26.85 N4 O10 Zn -","- C12.426 H26.852 N4 O10 Zn -","- C24.852 H53.704 N8 O20 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.6889","Synchrotron","","0.0512","0.0436","","","0.1088","0.113","","","","","","1.041","","","","has coordinates,has disorder","216879","2020-10-21","18:00:00",""
"1552062","11.151","0.012","14.586","0.016","4.837","0.005","90","","90","","90","","786.7","1.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10.42 H18.85 N4 O8 Zn -","- C10.42 H18.84 N4 O8 Zn -","- C20.84 H37.68 N8 O16 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.6889","Synchrotron","","0.112","0.0901","","","0.2135","0.2303","","","","","","1.055","","","","has coordinates,has disorder","216880","2020-10-21","18:00:00",""
"1552063","8.0123","0.0004","9.5367","0.0005","12.5723","0.0007","76.698","0.004","83.324","0.004","77.616","0.004","910.87","0.09","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H42 Br N O10 -","- C39 H42 Br N O10 -","- C39 H42 Br N O10 -","1","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.0465","0.0401","","","0.0962","0.1031","","","","","","1.072","","","","has coordinates","216881","2020-10-21","18:00:00",""
"1552064","25.835","0.005","10.3517","0.0019","7.2252","0.0013","90","","102.657","0.002","90","","1885.3","0.6","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H22 Br N O6 -","- C18 H22 Br N O6 -","- C72 H88 Br4 N4 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","0.71073","MoKα","","0.0412","0.0332","","","0.0734","0.076","","","","","","1.043","","","","has coordinates","216882","2020-10-21","18:00:00",""
"1552065","6.891","0.004","9.592","0.006","10.273","0.007","102.611","0.007","90.215","0.007","106.979","0.007","632.1","0.7","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O6 -","- C12 H16 O6 -","- C24 H32 O12 -","2","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","0.71073","MoKα","","0.0436","0.0371","","","0.0938","0.0978","","","","","","1.06","","","","has coordinates","216883","2020-10-21","18:00:00",""
"1552066","9.695","0.002","13.257","0.003","12.556","0.003","90","","106.298","0.003","90","","1548.9","0.6","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C68 H72 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","0.71073","MoKα","","0.0382","0.0323","","","0.081","0.087","","","","","","1.032","","","","has coordinates","216884","2020-10-21","18:00:00",""
"1552067","8.9133","0.0003","12.178","0.0005","12.9803","0.0005","90","","90","","90","","1408.96","0.09","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.0335","0.0309","","","0.0823","0.0833","","","","","","1.082","","","","has coordinates","216885","2020-10-21","18:00:00",""
"1552068","6.8942","0.0016","8.0356","0.0018","23.889","0.005","90","","90.741","0.011","90","","1323.3","0.5","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O6 -","- C13 H18 O6 -","- C52 H72 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.0901","0.0776","","","0.2129","0.2188","","","","","","1.103","","","","has coordinates","216886","2020-10-21","18:00:00",""
"1552069","7.7457","0.0016","12.057","0.003","14.063","0.003","90","","98.045","0.002","90","","1300.4","0.5","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O6 -","- C13 H16 O6 -","- C52 H64 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","0.71073","MoKα","","0.042","0.036","","","0.0952","0.1003","","","","","","1.05","","","","has coordinates","216887","2020-10-21","18:00:00",""
"1552070","6.1277","0.0008","7.5181","0.0009","10.9862","0.0014","91.291","0.009","98.594","0.009","91.918","0.01","499.96","0.11","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C22 H24 O10 -","2","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.0404","0.034","","","0.0922","0.0943","","","","","","1.034","","","","has coordinates","216888","2020-10-21","18:00:00",""
"1552071","5.6893","0.0005","10.7024","0.0011","12.4002","0.0012","90","","95.454","0.006","90","","751.62","0.13","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.06","0.046","","","0.1087","0.1126","","","","","","1.013","","","","has coordinates","216889","2020-10-21","18:00:00",""
"1552072","36.5251","0.0012","9.8281","0.0003","10.1059","0.0004","90","","105.682","0.004","90","","3492.7","0.2","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C35.25 H37.25 In N2.75 O12.25 -","- C30 H20 In N O8 -","- C120 H80 In4 N4 O32 -","4","0.5","","Sihai Yang; Xiang Lin; Alexander J. Blake; Gavin S. Walker; Peter Hubberstey; Neil R. Champness; Martin Schroder","Cation-induced kinetic trapping and enhanced hydrogen adsorption in a modulated anionic metal-organic framework","Nature Chemistry","2009","1","","487","493","10.1038/nchem.333","","","0.71073","MoKα","","0.0828","0.0783","","","0.202","0.208","","","","","","1.07","","","","has coordinates","216890","2020-10-21","18:00:00",""
"1552073","36.5845","0.0012","9.7589","0.0003","19.6525","0.0006","90","","103.558","0.002","90","","6820.9","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H25.75 In Li0.75 O13.75 -","- C28 H14 In Li0.5 O9 -","- C224 H112 In8 Li4 O72 -","8","1","","Sihai Yang; Xiang Lin; Alexander J. Blake; Gavin S. Walker; Peter Hubberstey; Neil R. Champness; Martin Schroder","Cation-induced kinetic trapping and enhanced hydrogen adsorption in a modulated anionic metal-organic framework","Nature Chemistry","2009","1","","487","493","10.1038/nchem.333","","","0.71073","MoKα","","0.111","0.085","","","0.197","0.209","","","","","","1.06","","","","has coordinates,has disorder","216891","2020-10-21","18:00:00",""
"1562833","15.2478","0.0011","19.3901","0.0011","19.4093","0.0012","90","","90","","90","","5738.5","0.6","100","2","100","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C19 H9.5 B Li N0.5 O6 -","- C19 H8 B Li N0.5 O6 -","- C152 H64 B8 Li8 N4 O48 -","8","1","","Hu, Yiming; Teat, Simon J.; Gong, Wei; Zhou, Zhou; Jin, Yinghua; Chen, Hongxuan; Wu, Jingyi; Cui, Yong; Jiang, Tao; Cheng, Xinbin; Zhang, Wei","Single crystals of mechanically entwined helical covalent polymers","Nature Chemistry","2021","","","1","","10.1038/s41557-021-00686-2","","","0.7288","synchrotron","","0.0802","0.078","","","0.2131","0.2172","","","","","","1.176","","","","has coordinates","265465","2021-05-24","08:21:07",""
"1562834","15.2523","0.0014","19.3821","0.0018","19.4331","0.0018","90","","90","","90","","5744.8","0.9","100","2","100","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C19 H10 B Li N0.5 O6.25 -","- C19 H8 B Li N0.5 O6.25 -","- C152 H64 B8 Li8 N4 O50 -","8","1","","Hu, Yiming; Teat, Simon J.; Gong, Wei; Zhou, Zhou; Jin, Yinghua; Chen, Hongxuan; Wu, Jingyi; Cui, Yong; Jiang, Tao; Cheng, Xinbin; Zhang, Wei","Single crystals of mechanically entwined helical covalent polymers","Nature Chemistry","2021","","","1","","10.1038/s41557-021-00686-2","","","0.7288","synchrotron","","0.09","0.0882","","","0.2428","0.2475","","","","","","1.115","","","","has coordinates","265465","2021-05-24","08:21:08",""