# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T10:57:43+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Nature Chemistry') AND volume = 6 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
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""