# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-11T00:02:28+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 Communications') AND volume = 7 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
"1547743","13.642","0.0011","11.1624","0.0009","21.3653","0.0016","90","","95.271","0.002","90","","3239.7","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N4 Ni -","- C30 H18 N4 Ni -","- C180 H108 N24 Ni6 -","6","1.5","","Ryo Nozawa; Hiroko Tanaka; Won-Young Cha; Yongseok Hong; Ichiro Hisaki; Soji Shimizu; Ji-Young Shin; Tim Kowalczyk; Stephan Irle; Dongho Kim; Hiroshi Shinokubo","Stacked antiaromatic porphyrins","Nature Communications","2016","7","","13620","","10.1038/ncomms13620","","","0.71073","MoKα","","0.0675","0.0508","","","0.1289","0.1386","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547744","24.768","0.0002","13.8476","0.0001","33.0065","0.0003","90","","99.5763","0.0004","90","","11162.7","0.16","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cl6 N8 Ni2 S2 -","- C66 H42 Cl6 N8 Ni2 S2 -","- C528 H336 Cl48 N64 Ni16 S16 -","8","1","","Ryo Nozawa; Hiroko Tanaka; Won-Young Cha; Yongseok Hong; Ichiro Hisaki; Soji Shimizu; Ji-Young Shin; Tim Kowalczyk; Stephan Irle; Dongho Kim; Hiroshi Shinokubo","Stacked antiaromatic porphyrins","Nature Communications","2016","7","","13620","","10.1038/ncomms13620","","","0.8","synchrotron","","0.0748","0.0719","","","0.2003","0.2032","","","","","","1.067","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547745","10.3437","0.0012","11.1763","0.0015","19.446","0.002","87.24","0.004","79.489","0.005","88.855","0.004","2207.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1222","0.0597","","","0.1632","0.2144","","","","","","0.985","","","","has coordinates","202174","2020-10-21","18:00:00",""
"1547746","10.343","0.0006","11.1816","0.0008","19.4313","0.0013","87.281","0.002","79.707","0.002","88.818","0.002","2208.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1274","0.0625","","","0.1724","0.224","","","","","","0.994","","","","has coordinates","202175","2020-10-21","18:00:00",""
"1547747","10.3504","0.0007","11.1958","0.0009","19.4394","0.0014","87.289","0.003","79.822","0.003","88.798","0.002","2214.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1344","0.0658","","","0.1863","0.2398","","","","","","0.986","","","","has coordinates","202176","2020-10-21","18:00:00",""
"1547748","10.3258","0.0004","11.1596","0.0004","19.3998","0.0008","87.2796","0.001","79.5728","0.0009","88.8537","0.001","2195.93","0.15","303","2","303","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0708","0.0517","","","0.1334","0.1486","","","","","","1.04","","","","has coordinates","202177","2020-10-21","18:00:00",""
"1547749","10.3579","0.0009","11.21","0.0012","19.4479","0.0018","87.293","0.003","79.94","0.004","88.772","0.003","2220.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1369","0.0646","","","0.1792","0.2375","","","","","","0.982","","","","has coordinates","202178","2020-10-21","18:00:00",""
"1547750","10.3393","0.0004","11.1764","0.0004","19.3966","0.0008","87.3043","0.001","79.8391","0.0009","88.8264","0.0009","2203.63","0.15","318","2","318","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0739","0.0527","","","0.1381","0.155","","","","","","1.042","","","","has coordinates","202179","2020-10-21","18:00:00",""
"1547751","10.3662","0.0012","11.2263","0.0015","19.458","0.002","87.294","0.004","80.055","0.005","88.745","0.004","2227.7","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1418","0.0661","","","0.1848","0.2432","","","","","","0.968","","","","has coordinates","202180","2020-10-21","18:00:00",""
"1547752","10.3758","0.0015","11.2462","0.0019","19.467","0.003","87.299","0.006","80.198","0.006","88.715","0.005","2235.7","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1445","0.0653","","","0.1765","0.2374","","","","","","0.964","","","","has coordinates","202181","2020-10-21","18:00:00",""
"1547753","10.3528","0.0005","11.195","0.0005","19.3916","0.0008","87.3094","0.001","80.1334","0.0009","88.7511","0.001","2211.58","0.17","333","2","333","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0777","0.054","","","0.1407","0.1583","","","","","","1.041","","","","has coordinates","202182","2020-10-21","18:00:00",""
"1547754","10.3815","0.0018","11.262","0.002","19.473","0.004","87.298","0.007","80.314","0.007","88.684","0.006","2241.5","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1453","0.0648","","","0.18","0.2456","","","","","","0.958","","","","has coordinates","202183","2020-10-21","18:00:00",""
"1547755","10.3843","0.0006","11.2809","0.0006","19.3678","0.0011","87.3201","0.0013","81.11","0.0012","88.5831","0.0013","2238.8","0.2","378","2","378","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0948","0.0585","","","0.1536","0.1804","","","","","","1.025","","","","has coordinates","202184","2020-10-21","18:00:00",""
"1547756","10.391","0.002","11.288","0.003","19.483","0.004","87.29","0.008","80.485","0.009","88.65","0.008","2251","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1561","0.0658","","","0.1825","0.2536","","","","","","0.945","","","","has coordinates","202185","2020-10-21","18:00:00",""
"1547757","10.3641","0.0005","11.2179","0.0005","19.3874","0.0008","87.325","0.001","80.4216","0.0009","88.7095","0.001","2219.95","0.17","348","2","348","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0825","0.0558","","","0.1447","0.1642","","","","","","1.045","","","","has coordinates","202186","2020-10-21","18:00:00",""
"1547758","10.3728","0.0006","11.2401","0.0006","19.3827","0.001","87.3342","0.0013","80.6721","0.0012","88.6789","0.0012","2227.3","0.2","360","2","360","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0883","0.0565","","","0.1511","0.1748","","","","","","1.047","","","","has coordinates","202187","2020-10-21","18:00:00",""
"1547950","9.4226","0.0003","10.7168","0.0003","13.2648","0.0004","90","","90","","90","","1339.48","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0328","0.0276","","","0.0645","0.0705","","","","","","1.212","","","","has coordinates","203039","2020-10-21","18:00:00",""
"1547951","9.2129","0.0005","10.5779","0.0005","13.0532","0.0006","90","","90","","90","","1272.08","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0313","0.0286","","","0.0659","0.0687","","","","","","1.104","","","","has coordinates","203040","2020-10-21","18:00:00",""
"1547952","9.1029","0.001","10.5419","0.0009","12.9562","0.0008","90","","90","","90","","1243.3","0.19","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0589","0.0525","","","0.1326","0.1405","","","","","","1.109","","","","has coordinates","203041","2020-10-21","18:00:00",""
"1547953","9.0638","0.0003","10.4978","0.0003","12.9039","0.0004","90","","90","","90","","1227.81","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0298","0.0281","","","0.0668","0.0677","","","","","","1.189","","","","has coordinates","203042","2020-10-21","18:00:00",""
"1547954","8.9159","0.0005","12.7935","0.0006","10.4016","0.0005","90","","91.208","0.004","90","","1186.2","0.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","2","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0388","0.0335","","","0.0739","0.0781","","","","","","1.098","","","","has coordinates","203043","2020-10-21","18:00:00",""
"1547955","8.873","0.001","12.778","0.0009","10.3459","0.001","90","","92.25","0.009","90","","1172.11","0.19","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","2","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.037","0.0337","","","0.0762","0.0777","","","","","","1.097","","","","has coordinates","203044","2020-10-21","18:00:00",""
"1547956","9.6089","0.0003","10.8491","0.0003","13.4542","0.0004","90","","90","","90","","1402.57","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0474","0.0307","","","0.0514","0.0547","","","","","","1.037","","","","has coordinates","203045","2020-10-21","18:00:00",""
"1547957","9.6184","0.0004","10.8488","0.0004","13.4471","0.0004","90","","90","","90","","1403.18","0.09","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0545","0.0457","","","0.1126","0.1187","","","","","","1.21","","","","has coordinates","203046","2020-10-21","18:00:00",""
"1547958","10.3829","0.0006","13.4805","0.0009","9.7632","0.0011","90","","90","","90","","1366.5","0.2","300","","300","","","","100000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0338","0.0301","","0.0342","0.0283","0.0283","","","","","","0.9127","","","","has coordinates","203047","2020-10-21","18:00:00",""
"1547959","10.2971","0.0005","13.4016","0.0009","9.6238","0.001","90","","90","","90","","1328.06","0.18","300","","300","","","","300000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0298","0.0257","","0.0275","0.0222","0.0222","","","","","","0.9141","","","","has coordinates","203048","2020-10-21","18:00:00",""
"1547960","10.118","0.0006","13.259","0.002","9.3321","0.0006","90","","90","","90","","1251.9","0.2","300","","300","","","","1200000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0234","0.0178","","0.024","0.0197","0.0197","","","","","","0.881","","","","has coordinates","203049","2020-10-21","18:00:00",""
"1547961","10.0281","0.0005","13.122","0.002","9.1585","0.0005","90","","90","","90","","1205.2","0.2","300","","300","","","","1800000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0283","0.0234","","0.03","0.023","0.023","","","","","","0.9963","","","","has coordinates","203050","2020-10-21","18:00:00",""
"1547962","9.9548","0.001","12.959","0.005","9.0069","0.0011","90","","90","","90","","1161.9","0.5","300","","300","","","","2600000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0334","0.0287","","0.0382","0.0332","0.0332","","","","","","1.0081","","","","has coordinates","203051","2020-10-21","18:00:00",""
"1547963","9.835","0.002","12.816","0.015","8.746","0.003","90","","90","","90","","1102.4","1.4","300","","300","","","","4300000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0948","0.0702","","0.0599","0.0508","0.0508","","","","","","1.1071","","","","has coordinates","203052","2020-10-21","18:00:00",""
"1547964","10.4093","0.0004","13.5203","0.0005","9.8134","0.0003","90","","90","","90","","1381.11","0.08","300","","300","","","","","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.71073","MoKα","","0.022","0.0194","","0.0206","0.0189","0.0189","","","","","","1.0682","","","","has coordinates","203053","2020-10-21","18:00:00",""
"1547965","10.261","0.0002","13.4766","0.0003","9.5069","0.0002","90","","90","","90","","1314.65","0.05","4","","4","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0151","0.0149","","","0.0339","0.034","","","","","","1.287","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1547966","9.4883","0.0003","10.7299","0.0004","13.3288","0.0005","90","","90","","90","","1356.99","0.08","4","2","3.93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0215","0.0205","","","0.0433","0.0437","","","","","","1.076","","","","has coordinates","203055","2020-10-21","18:00:00",""
"1547967","16.2122","0.0003","16.2122","0.0003","16.0642","0.0007","90","","90","","120","","3656.57","0.19","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C26 H27 Mg3 N O22 -","- C24 H6 Mg3 O22 -","- C48 H12 Mg6 O44 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.075","0.0571","","","0.1693","0.1767","","","","","","1.067","","","","has coordinates","288476","2023-12-21","15:26:10",""
"1547968","16.997","0.0004","16.997","0.0004","14.9864","0.0009","90","","90","","120","","3749.5","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H36 Mg3 N10 O13 -","- C42 H18 Mg3 N9 O13 -","- C84 H36 Mg6 N18 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0754","0.067","","","0.2027","0.2102","","","","","","1.091","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547969","17.4162","0.0004","17.4162","0.0004","14.9154","0.0007","90","","90","","120","","3918.1","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H25 Mn3 N6 O13 -","- C42 H24 Mn3 N6 O13 -","- C84 H48 Mn6 N12 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0423","0.0345","","","0.1005","0.1034","","","","","","1.027","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547970","17.0539","0.0004","17.0539","0.0004","14.9837","0.0007","90","","90","","120","","3774","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H28 Co3 N9 O13 -","- C42 H18 Co3 N9 O13 -","- C84 H36 Co6 N18 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0572","0.05","","","0.1668","0.1719","","","","","","1.004","","","","has coordinates","203059","2020-10-21","18:00:00",""
"1547971","17.0539","0.0004","17.0539","0.0004","14.9837","0.0007","90","","90","","120","","3774","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H28 N9 O13 Zn3 -","- C42 H18 N9 O13 Zn3 -","- C84 H36 N18 O26 Zn6 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0585","0.0501","","","0.1545","0.1611","","","","","","0.98","","","","has coordinates","203060","2020-10-21","18:00:00",""
"1547972","15.9423","0.0003","15.9423","0.0003","16.0411","0.0007","90","","90","","120","","3530.75","0.18","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C24 H19 Mg2 O22 V -","- C24 H6 Mg2.0001 O22 V0.9999 -","- C48 H12 Mg4.0002 O44 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0743","0.0616","","","0.1823","0.1951","","","","","","1.072","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547973","16.6165","0.001","16.6165","0.001","15.3366","0.0019","90","","90","","120","","3667.2","0.6","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H25 Mg2 N6 O19 V -","- C42 H18 Mg2.0001 N6 O19 V0.9999 -","- C84 H36 Mg4.0002 N12 O38 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1229","0.1016","","","0.3266","0.3425","","","","","","1.358","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547974","16.9065","0.0005","16.9065","0.0005","14.7154","0.001","90","","90","","120","","3642.6","0.3","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H22 Mg2 N9 O19 V -","- C42 H12 Mg2.0001 N9 O19 V0.9999 -","- C84 H24 Mg4.0002 N18 O38 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1145","0.0942","","","0.2657","0.2816","","","","","","1.03","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547975","16.8599","0.0012","16.8599","0.0012","14.882","0.003","90","","90","","120","","3663.5","0.8","200","2","200","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C54 H31 Mg2 N6 O13 V -","- C54 H12 Mg2.0001 N6 O13 V0.9999 -","- C108 H24 Mg4.0002 N12 O26 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1364","0.1244","","","0.3459","0.3663","","","","","","1.019","","","","has coordinates,has disorder","288476","2023-12-21","15:26:11",""
"1547976","16.7913","0.0002","16.7913","0.0002","20.6558","0.0005","90","","90","","120","","5043.61","0.15","200","2","200","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C54 H31 Mg2 N6 O13 V -","- C57 H30 Mg2.0001 N6 O13 V0.9999 -","- C114 H60 Mg4.0002 N12 O26 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1207","0.0807","","","0.226","0.2473","","","","","","1.018","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547977","16.9671","0.0005","16.9671","0.0005","15.3079","0.001","90","","90","","120","","3816.5","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H33 Mg3 N7 O19 -","- C42 H18 Mg3 N6 O19 -","- C84 H36 Mg6 N12 O38 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0581","0.0431","","","0.1076","0.1126","","","","","","1.033","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547978","16.9886","0.0016","16.9886","0.0016","15.108","0.003","90","","90","","120","","3776.2","0.9","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H33 Mg3 N7 O16 -","- C42 H15 Mg3 N6 O16 -","- C84 H30 Mg6 N12 O32 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0722","0.0512","","","0.1381","0.1462","","","","","","1.053","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547979","17.0231","0.0011","17.0231","0.0011","14.947","0.003","90","","90","","120","","3751.1","0.8","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H33 Mg3 N7 O13 -","- C42 H24 Mg3 N6 O13 -","- C84 H48 Mg6 N12 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.075","0.0487","","","0.1235","0.132","","","","","","1.005","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547980","25.9071","0.0008","9.1614","0.0003","16.4713","0.0004","90","","100.956","0.001","90","","3838.1","0.2","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N4 Ni O6 P2 -","- C16 H20 N4 Ni O6 P2 -","- C128 H160 N32 Ni8 O48 P16 -","8","1","","Victoria E. Campbell; Monica Tonelli; Irene Cimatti; Jean-Baptiste Moussy; Ludovic Tortech; Yannick J. Dappe; Eric Riviere; Regis Guillot; Sophie Delprat; Richard Mattana; Pierre Seneor; Philippe Ohresser; Fadi Choueikani; Edwige Otero; Florian Koprowiak; Vijay Gopal Chilkuri; Nicolas Suaud; Nathalie Guihery; Anouk Galtayries; Frederic Miserque; Marie-Anne Arrio; Philippe Sainctavit; Talal Mallah","Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devices","Nature Communications","2016","7","","13646","","10.1038/ncomms13646","","x-ray","0.71073","MoKα","","0.0728","0.054","","","0.1274","0.1401","","","","","","1.036","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1547981","26.378","0.0013","9.059","0.0004","16.5517","0.0007","90","","102.286","0.001","90","","3864.6","0.3","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co N4 O6 P2 -","- C16 H20 Co N4 O6 P2 -","- C128 H160 Co8 N32 O48 P16 -","8","1","","Victoria E. Campbell; Monica Tonelli; Irene Cimatti; Jean-Baptiste Moussy; Ludovic Tortech; Yannick J. Dappe; Eric Riviere; Regis Guillot; Sophie Delprat; Richard Mattana; Pierre Seneor; Philippe Ohresser; Fadi Choueikani; Edwige Otero; Florian Koprowiak; Vijay Gopal Chilkuri; Nicolas Suaud; Nathalie Guihery; Anouk Galtayries; Frederic Miserque; Marie-Anne Arrio; Philippe Sainctavit; Talal Mallah","Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devices","Nature Communications","2016","7","","13646","","10.1038/ncomms13646","","x-ray","0.71073","MoKα","","0.0951","0.0524","","","0.1117","0.1299","","","","","","1.031","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1547982","16.43","0.03","10.012","0.015","44.3","0.09","90","","95.65","0.08","90","","7252","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C77 H59 N7 O4 -","- C75.5 H57.75 N7 O4 -","- C302 H231 N28 O16 -","4","2","","Georgios Charalambidis; Evangelos Georgilis; Manas K. Panda; Christopher E. Anson; Annie K. Powell; Stephen Doyle; David Moss; Tobias Jochum; Peter N. Horton; Simon J. Coles; Mathieu Linares; David Beljonne; Jean-Valere Naubron; Jonas Conradt; Heinz Kalt; Anna Mitraki; Athanassios G. Coutsolelos; Teodor Silviu Balaban","A switchable self-assembling and disassembling chiral system based on a porphyrin-substituted phenylalanine-phenylalanine motif","Nature Communications","2016","7","","12657","","10.1038/ncomms12657","","","0.6889","","","0.5577","0.3323","","","0.5374","0.6531","","","","","","1.586","","","","has coordinates,has disorder","203071","2020-10-21","18:00:00",""
"1547983","28.8117","0.0004","29.9302","0.0004","54.0382","0.0005","79.591","0.001","86.179","0.001","83.426","0.0012","45480.7","1","100","","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C664 H852 Ag136.45 Cl3 P S64 -","- C664 H852 Ag136.45 Cl3 P S64 -","- C1328 H1704 Ag272.9 Cl6 P2 S128 -","2","1","","Huayan Yang; Yu Wang; Xi Chen; Xiaojing Zhao; Lin Gu; Huaqi Huang; Juanzhu Yan; Chaofa Xu; Gang Li; Junchao Wu; Alison J. Edwards; Birger Dittrich; Zichao Tang; Dongdong Wang; Lauri Lehtovaara; Hannu Hakkinen; Nanfeng Zheng","Plasmonic twinned silver nanoparticles with molecular precision","Nature Communications","2016","7","","12809","","10.1038/ncomms12809","","","1.54184","CuKα","","0.0994","0.0836","","0.1006","0.0953","0.0916","","","","","","1.1318","","","","has coordinates,has disorder","203072","2020-10-21","18:00:00",""
"1547984","67.3343","0.0006","67.3343","0.0006","188.5858","0.0017","90","","90","","120","","740478","11","100","1","100","1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C1130 H1469 Ag374 Br2 Cl2 S113 -","- C1130 H1469 Ag380 Br2 Cl2 S113 -","- C20340 H26442 Ag6840 Br36 Cl36 S2034 -","18","0.5","","Huayan Yang; Yu Wang; Xi Chen; Xiaojing Zhao; Lin Gu; Huaqi Huang; Juanzhu Yan; Chaofa Xu; Gang Li; Junchao Wu; Alison J. Edwards; Birger Dittrich; Zichao Tang; Dongdong Wang; Lauri Lehtovaara; Hannu Hakkinen; Nanfeng Zheng","Plasmonic twinned silver nanoparticles with molecular precision","Nature Communications","2016","7","","12809","","10.1038/ncomms12809","","","1.54184","CuKα","","0.1307","0.0951","","","0.2846","0.3317","","","","","","1.329","","","","has coordinates,has disorder","203073","2020-10-21","18:00:00",""
"1547985","5.6324","0.0003","26.1594","0.0016","9.3139","0.0005","90","","105.68","0.0019","90","","1321.25","0.13","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","2","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.0528","0.0446","","","0.0925","0.0968","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547986","9.9398","0.0008","30.471","0.003","17.5604","0.0015","90","","97.837","0.003","90","","5268.9","0.8","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H148 Mo2 N8 O17 S -","- C104 H148 Mo2 N8 O17 S -","- C208 H296 Mo4 N16 O34 S2 -","2","1","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.1283","0.0715","","","0.136","0.1585","","","","","","1.008","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1547987","5.279","0.0005","11.5315","0.0008","23.4325","0.0019","90","","90","","90","","1426.4","0.2","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 Cl O3 S -","- C13 H17 Cl O3 S -","- C52 H68 Cl4 O12 S4 -","4","1","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.0434","0.0377","","","0.0785","0.0808","","","","","","1.08","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1547988","26.8296","0.0016","9.6925","0.0005","10.5106","0.0006","90","","101.233","0.0019","90","","2680.9","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Br O3 S -","- C12 H15 Br O3 S -","- C96 H120 Br8 O24 S8 -","8","4","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.1706","0.062","","","0.0935","0.1213","","","","","","0.949","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547989","9.98","0.0004","10.9599","0.0004","21.0009","0.0008","75.729","0.001","78.004","0.001","71.392","0.001","2088.84","0.14","122","2","122.15","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 F6 Ir O2 P2 -","- C48 H44 F6 Ir O2 P2 -","- C96 H88 F12 Ir2 O4 P4 -","2","1","","Kasper S. Pedersen; Jesper Bendix; Alain Tressaud; Etienne Durand; Hogni Weihe; Zaher Salman; Thorbjorn J Morsing; Daniel N. Woodruff; Yanhua Lan; Wolfgang Wernsdorfer; Corine Mathoniere; Stergios Piligkos; Sophia I. Klokishner; Serghei Ostrovsky; Katharina Ollefs; Fabrice Wilhelm; Andrei Rogalev; Rodolphe Clerac","Iridates from the molecular side","Nature Communications","2016","7","","12195","","10.1038/ncomms12195","","","0.71073","MoKα","","0.023","0.0187","","","0.0409","0.0419","","","","","","1.063","","","","has coordinates","203078","2020-10-21","18:00:00",""
"1547990","12.4516","0.0004","12.4516","0.0004","8.1424","0.0003","90","","90","","90","","1262.42","0.07","122","1","122","1","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C5 H6 F1.5 Ir0.25 N2 Zn0.25 -","- C5 H6 F1.5 Ir0.25 N2 Zn0.25 -","- C40 H48 F12 Ir2 N16 Zn2 -","8","","","Kasper S. Pedersen; Jesper Bendix; Alain Tressaud; Etienne Durand; Hogni Weihe; Zaher Salman; Thorbjorn J Morsing; Daniel N. Woodruff; Yanhua Lan; Wolfgang Wernsdorfer; Corine Mathoniere; Stergios Piligkos; Sophia I. Klokishner; Serghei Ostrovsky; Katharina Ollefs; Fabrice Wilhelm; Andrei Rogalev; Rodolphe Clerac","Iridates from the molecular side","Nature Communications","2016","7","","12195","","10.1038/ncomms12195","","","0.71073","MoKα","","0.0252","0.0134","","","0.0297","0.0349","","","","","","1.0337","","","","has coordinates","203079","2020-10-21","18:00:00",""
"1547991","10.0669","0.0009","10.1893","0.0009","11.8996","0.0011","93.574","0.003","99.116","0.003","115.451","0.003","1076.51","0.17","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 Cl6 Ir P2 -","- C48 H40 Cl6 Ir P2 -","- C48 H40 Cl6 Ir P2 -","1","0.5","","Kasper S. Pedersen; Jesper Bendix; Alain Tressaud; Etienne Durand; Hogni Weihe; Zaher Salman; Thorbjorn J Morsing; Daniel N. Woodruff; Yanhua Lan; Wolfgang Wernsdorfer; Corine Mathoniere; Stergios Piligkos; Sophia I. Klokishner; Serghei Ostrovsky; Katharina Ollefs; Fabrice Wilhelm; Andrei Rogalev; Rodolphe Clerac","Iridates from the molecular side","Nature Communications","2016","7","","12195","","10.1038/ncomms12195","","","0.71073","MoKα","","0.0128","0.0127","","","0.033","0.0331","","","","","","1.056","","","","has coordinates","203080","2020-10-21","18:00:00",""
"1547993","32.757","0.002","34.249","0.002","31.088","0.002","90","","90","","90","","34877","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H138.5 N12 O51.25 S6 -","- C48 H84 N12 O51.25 S6 -","- C768 H1344 N192 O820 S96 -","16","1","","Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper","Three-dimensional protonic conductivity in porous organic cage solids","Nature Communications","2016","7","","12750","","10.1038/ncomms12750","","x-ray","0.71073","MoKα","","0.0684","0.066","","","0.1824","0.1854","","","","","","1.057","","","","has coordinates,has disorder","203107","2020-10-21","18:00:00",""
"1547994","32.848","0.006","34.298","0.006","31.413","0.005","90","","90","","90","","35391","11","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H138.5 N12 O51.25 S6 -","- C48 H84 N12 O51.25 S6 -","- C768 H1344 N192 O820 S96 -","16","1","","Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper","Three-dimensional protonic conductivity in porous organic cage solids","Nature Communications","2016","7","","12750","","10.1038/ncomms12750","","x-ray","0.71073","MoKα","","0.1222","0.1051","","","0.2742","0.2909","","","","","","1.036","","","","has coordinates,has disorder","203108","2020-10-21","18:00:00",""
"1547995","20.2276","0.0015","20.2276","0.0015","32.016","0.003","90","","90","","90","","13099.5","1.8","100","","100","","","","","","","","","5","P 41","P 4w","76","","","","- C48 H91 Cl12 N12 O4 -","- C48 H84 Cl11.9999 N12 O4 -","- C384 H672 Cl95.9996 N96 O32 -","8","2","","Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper","Three-dimensional protonic conductivity in porous organic cage solids","Nature Communications","2016","7","","12750","","10.1038/ncomms12750","","x-ray","0.6889","","","0.0803","0.0751","","","0.1844","0.1911","","","","","","1.105","","","","has coordinates,has disorder","203109","2020-10-21","18:00:00",""
"1548007","22.313","0.004","26.967","0.005","12.873","0.003","90","","90","","90","","7746","3","123","2","123","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1737","0.1373","","","0.3141","0.339","","","","","","1.074","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548008","22.143","0.005","26.947","0.006","12.88","0.003","90","","90","","90","","7685","3","123","2","123","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1628","0.1475","","","0.3733","0.3849","","","","","","1.155","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548009","22.283","0.005","26.935","0.006","12.891","0.003","90","","90","","90","","7737","3","153","2","153","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1542","0.1406","","","0.3611","0.3714","","","","","","1.17","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548010","22.39","0.005","26.954","0.006","12.88","0.003","90","","90","","90","","7773","3","173","2","183","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1499","0.1362","","","0.3342","0.344","","","","","","1.122","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548011","22.519","0.005","26.938","0.006","12.867","0.003","90","","90","","90","","7805","3","213","2","213","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.161","0.143","","","0.3729","0.3862","","","","","","1.126","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548012","22.691","0.005","26.989","0.006","12.841","0.003","90","","90","","90","","7864","3","243","2","243","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1542","0.1347","","","0.3316","0.3453","","","","","","1.176","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548013","22.819","0.006","27.035","0.007","12.839","0.003","90","","90","","90","","7921","3","273","2","273","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1693","0.1438","","","0.3428","0.3594","","","","","","1.181","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548014","22.975","0.005","27.014","0.006","12.824","0.003","90","","90","","90","","7959","3","303","2","303","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.169","0.1384","","","0.3404","0.3604","","","","","","1.205","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548015","23.21","0.005","26.944","0.006","12.808","0.003","90","","90","","90","","8010","3","333","2","333","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1713","0.1385","","","0.3228","0.3425","","","","","","1.182","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548016","23.552","0.006","26.838","0.007","12.801","0.003","90","","90","","90","","8091","4","363","2","363","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.2216","0.1867","","","0.409","0.4323","","","","","","1.213","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548017","23.966","0.008","26.5","0.008","12.776","0.004","90","","90","","90","","8114","4","393","2","393","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.265","0.2317","","","0.4529","0.474","","","","","","1.278","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548018","17.856","0.006","17.856","0.006","12.787","0.007","90","","90","","90","","4077","3","438","2","438","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","C10 H8.50 N O2","","","- C10 H8.5 N O2 -","- C10 H8.5 N O2 -","- C160 H136 N16 O32 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.2123","0.1735","","","0.4425","0.4742","","","","","","0.913","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548019","17.491","0.009","17.491","0.009","12.915","0.007","90","","90","","90","","3951","4","303","2","303","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","C10 H8.50 N O2","","","- C10 H8.5 N O2 -","- C10 H6.5 N O2 -","- C160 H104 N16 O32 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.3202","0.2921","","","0.6352","0.6533","","","","","","0.935","","","","has coordinates","203134","2020-10-21","18:00:00",""
"1548020","17.289","0.006","17.289","0.006","12.957","0.004","90","","90","","90","","3873","2","123","2","123","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","C10 H8.50 N O2","","","- C10 H8.5 N O2 -","- C10 H6.5 N O2 -","- C160 H104 N16 O32 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.3197","0.2856","","","0.5842","0.6084","","","","","","0.985","","","","has coordinates","203135","2020-10-21","18:00:00",""
"1548022","23.042","0.005","9.2011","0.0019","20.049","0.004","90","","116.718","0.004","90","","3796.8","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 N6 O10 Pt3 -","- C34 H36 N6 O10 Pt3 -","- C136 H144 N24 O40 Pt12 -","4","0.5","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.1263","0.0596","","","0.1269","0.1499","","","","","","0.905","","","","has coordinates","288183","2023-12-08","14:41:40",""
"1548023","18.7199","0.0006","9.6901","0.0003","23.7454","0.0008","90","","101.185","0.001","90","","4225.5","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H47 N6 O15.5 Pt3 -","- C34 H36 N6 O15.244 Pt3 -","- C136 H144 N24 O60.976 Pt12 -","4","1","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.07","0.0331","","","0.0607","0.0678","","","","","","0.911","","","","has coordinates,has disorder","203148","2020-10-21","18:00:00",""
"1548024","22.9917","0.0008","17.8912","0.0006","20.7881","0.0007","90","","102.477","0.001","90","","8349.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H88 N12 O28 Pt6 -","- C68 H72 N12 O28 Pt6 -","- C272 H288 N48 O112 Pt24 -","4","0.5","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.1143","0.0372","","","0.0552","0.0673","","","","","","0.815","","","","has coordinates,has disorder","288183","2023-12-08","14:41:53",""
"1548025","12.158","0.002","10.943","0.002","16.944","0.003","90","","93.548","0.004","90","","2250","0.7","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H50 N7 O20 Pt3 -","- C34 H36 N7.001 O20.002 Pt3 -","- C68 H72 N14.002 O40.004 Pt6 -","2","0.5","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.0352","0.0249","","","0.0497","0.0512","","","","","","0.873","","","","has coordinates,has disorder","203150","2020-10-21","18:00:00",""
"1548026","14.3496","0.0006","17.9265","0.0008","26.5741","0.0012","89.696","0.004","88.052","0.004","86.937","0.004","6822.1","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H111 B N4 O2 Si3 Th -","- C67 H111 B N4 O2 Si3 Th -","- C268 H444 B4 N16 O8 Si12 Th4 -","4","2","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.2352","0.2147","","","0.488","0.498","","","","","","1.248","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548027","18.6189","0.0005","22.6046","0.0007","22.2818","0.0005","90","","113.726","0.003","90","","8585.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H77 N4 P Si3 Th -","- C33 H77 N4 P Si3 Th -","- C264 H616 N32 P8 Si24 Th8 -","8","2","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.1171","0.0584","","","0.099","0.1192","","","","","","0.981","","","","has coordinates,has disorder","203152","2020-10-21","18:00:00",""
"1548028","13.5631","0.0005","21.2452","0.0007","23.4879","0.0008","90","","90","","90","","6768.1","0.4","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H116 N4 Na O8 P Si3 Th -","- C56 H116 N4 Na O8 P Si3 Th -","- C224 H464 N16 Na4 O32 P4 Si12 Th4 -","4","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.051","0.0377","","","0.0621","0.0659","","","","","","1.01","","","","has coordinates","203153","2020-10-21","18:00:00",""
"1548029","13.8618","0.0004","15.2608","0.0005","22.2411","0.0006","96.043","0.002","91.075","0.002","98.324","0.002","4626.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H167 N8 P Si6 Th2 -","- C80 H167 N8 P Si6 Th2 -","- C160 H334 N16 P2 Si12 Th4 -","2","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.0732","0.0479","","","0.0808","0.0891","","","","","","1.07","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548030","23.1479","0.0007","17.4133","0.0005","26.4947","0.0009","90","","103.615","0.004","90","","10379.4","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H187 N8 Na O9 P Si6 Th2 -","- C84 H187 N8 Na O9 P Si6 Th2 -","- C336 H748 N32 Na4 O36 P4 Si24 Th8 -","4","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.0923","0.0557","","","0.1075","0.1271","","","","","","1.045","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548031","18.4228","0.0013","21.7375","0.0013","20.5577","0.0013","90","","108.19","0.007","90","","7821.2","0.9","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75 H134 B N5 O3 Si3 Th -","- C75 H134 B N5 O3 Si3 Th -","- C300 H536 B4 N20 O12 Si12 Th4 -","4","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","1.54184","CuKα","","0.146","0.0888","","","0.1983","0.2472","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548037","4.9205","0.001","11.812","0.002","14.637","0.003","99.369","0.007","93.376","0.007","98.82","0.007","826.4","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H50 N6 O9 -","- C30 H50 N6 O9 -","- C30 H50 N6 O9 -","1","1","","Tom Guterman; Micha Kornreich; Avigail Stern; Lihi Adler-Abramovich; Danny Porath; Roy Beck; Linda J. W. Shimon; Ehud Gazit","Formation of bacterial pilus-like nanofibres by designed minimalistic self-assembling peptides","Nature Communications","2016","7","","13482","","10.1038/ncomms13482","","","0.7","synchrotron","","0.0472","0.047","","","0.1255","0.1257","","","","","","1.029","","","","has coordinates,has disorder","203162","2020-10-21","18:00:00",""
"1548038","10.0403","0.0004","4.671","0.0001","15.6056","0.0007","90","","106.407","0.004","90","","702.07","0.05","150","2","150","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 -","- C24 H12 -","- C48 H24 -","2","0.5","","Jason Potticary; Lui R. Terry; Christopher Bell; Alexandros N. Papanikolopoulos; Peter C. M. Christianen; Hans Engelkamp; Andrew M. Collins; Claudio Fontanesi; Gabriele Kociok-Kohn; Simon Crampin; Enrico Da Como; Simon R. Hall","An unforeseen polymorph of coronene by the application of magnetic fields during crystal growth","Nature Communications","2016","7","","11555","","10.1038/ncomms11555","","","1.54184","CuKα","","0.0531","0.0474","","","0.1309","0.1405","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548039","10.3855","0.0012","3.8212","0.0003","17.2111","0.0018","90","","96.235","0.01","90","","678.98","0.12","80","2","80","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 -","- C24 H12 -","- C48 H24 -","2","0.5","","Jason Potticary; Lui R. Terry; Christopher Bell; Alexandros N. Papanikolopoulos; Peter C. M. Christianen; Hans Engelkamp; Andrew M. Collins; Claudio Fontanesi; Gabriele Kociok-Kohn; Simon Crampin; Enrico Da Como; Simon R. Hall","An unforeseen polymorph of coronene by the application of magnetic fields during crystal growth","Nature Communications","2016","7","","11555","","10.1038/ncomms11555","","","1.54184","CuKα","","0.1043","0.0752","","","0.1913","0.2203","","","","","","1.008","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548040","11.6193","0.0005","5.5667","0.0002","22.9312","0.001","90","","100.897","0.004","90","","1456.47","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca O6 S Xe0.42 -","- C14 H8 Ca O6 S Xe0.421 -","- C56 H32 Ca4 O24 S4 Xe1.684 -","4","1","","Debasis Banerjee; Cory M. Simon; Anna M. Plonka; Radha K. Motkuri; Jian Liu; Xianyin Chen; Berend Smit; John B. Parise; Maciej Haranczyk; Praveen K. Thallapally","Metal-organic framework with optimally selective xenon adsorption and separation","Nature Communications","2016","7","","11831","","10.1038/ncomms11831","","","1.54184","CuKα","","0.0835","0.0703","","","0.2105","0.2231","","","","","","1.325","","","","has coordinates","203165","2020-10-21","18:00:00",""
"1548041","11.8819","0.0003","5.5555","0.0001","22.6411","0.0005","90","","101.302","0.002","90","","1465.55","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca Kr0.15 O6 S -","- C14 H8 Ca Kr0.1496 O6 S -","- C56 H32 Ca4 Kr0.5984 O24 S4 -","4","1","","Debasis Banerjee; Cory M. Simon; Anna M. Plonka; Radha K. Motkuri; Jian Liu; Xianyin Chen; Berend Smit; John B. Parise; Maciej Haranczyk; Praveen K. Thallapally","Metal-organic framework with optimally selective xenon adsorption and separation","Nature Communications","2016","7","","11831","","10.1038/ncomms11831","","","0.71073","MoKα","","0.0518","0.0411","","","0.0993","0.1059","","","","","","0.997","","","","has coordinates","203166","2020-10-21","18:00:00",""
"1548042","22.3181","0.0005","23.1069","0.0004","22.5654","0.0006","90","","112.263","0.003","90","","10769.5","0.5","150.06","0.14","150.06","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H69 Co N3 O13 Ru2 -","- C45 H69 Co0.9999 N3 O13 Ru2.0001 -","- C360 H552 Co7.9992 N24 O104 Ru16.0008 -","8","2","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","","0.71073","MoKα","","0.0725","0.05","","","0.117","0.1295","","","","","","1.034","","","","has coordinates,has disorder","203167","2020-10-21","18:00:00",""
"1548043","11.466","0.0005","14.9252","0.0009","18.9394","0.0008","84.303","0.004","88.505","0.004","68.403","0.005","2998.5","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C46 H71 Cl2 Co F6 N3 O13 P Ru2 -","- C46 H71 Cl2 Co0.9999 F6 N3 O13 P Ru2.0001 -","- C92 H142 Cl4 Co1.9998 F12 N6 O26 P2 Ru4.0002 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.6889","","","0.1342","0.1192","","","0.3074","0.3372","","","","","","1.435","","","","has coordinates,has disorder","203168","2020-10-21","18:00:00",""
"1548044","24.8796","0.0005","24.8796","0.0005","96.7732","0.0016","90","","90","","120","","51876.7","1.7","100","2","100.15","","","","","","","","","9","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C209 H369 Co Cr14 F16 N5 Ni2 O77 Ru2 -","- C209 H369 Co0.9999 Cr14 F16 N5 Ni2 O77 Ru2.0001 -","- C1254 H2214 Co5.9994 Cr84 F96 N30 Ni12 O462 Ru12.0006 -","6","0.5","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54184","CuKα","","0.1382","0.1276","","","0.3158","0.3266","","","","","","1.308","","","","has coordinates,has disorder","203169","2020-10-21","18:00:00",""
"1548045","19.3835","0.0003","27.6538","0.0004","29.1765","0.0006","76.822","0.0016","84.5616","0.0015","89.7001","0.0013","15156.9","0.5","100.15","","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C216 H347 Cl2 Co Cr14 F16 N9 Ni2 O72 -","- C224 H357 Cl Co Cr14 F16 N9 Ni2 O68 -","- C448 H714 Cl2 Co2 Cr28 F32 N18 Ni4 O136 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.6889","","","0.1586","0.105","","","0.3098","0.3574","","","","","","1.199","","","","has coordinates,has disorder","203170","2020-10-21","18:00:00",""
"1548046","56.308","0.003","16.4647","0.0003","30.7417","0.0009","90","","93.238","0.003","90","","28455","1.8","100","2","100.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C206 H330 Cl2 Co Cr14 F16 N8 Ni2 O72 -","- C206 H330 Cl2 Co Cr14 F16 N8 Ni2 O72 -","- C824 H1320 Cl8 Co4 Cr56 F64 N32 Ni8 O288 -","4","0.5","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.6889","","","0.1752","0.1272","","","0.3574","0.422","","","","","","1.301","","","","has coordinates,has disorder","203171","2020-10-21","18:00:00",""
"1548047","16.6948","0.0003","29.8156","0.0006","31.7036","0.0006","70.4222","0.0018","83.8761","0.0016","77.9945","0.0018","14531.7","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C189 H322 Co Cr14 F16 N8 Ni2 O65 S2 -","- C189 H322 Co Cr14 F16 N8 Ni2 O65 S2 -","- C378 H644 Co2 Cr28 F32 N16 Ni4 O130 S4 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.5418","CuKα","","0.0984","0.0697","","","0.1816","0.1984","","","","","","1.036","","","","has coordinates,has disorder","203172","2020-10-21","18:00:00",""
"1548048","40.103","0.002","9.0797","0.0004","21.8936","0.0012","90","","106.06","0.006","90","","7660.8","0.7","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H27 B2 Co F8 N6 O7 -","- C34 H27 B2 Co F8 N6 O7 -","- C272 H216 B16 Co8 F64 N48 O56 -","8","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54178","CuKα","","0.1321","0.0831","","","0.2314","0.2723","","","","","","1.02","","","","has coordinates,has disorder","203173","2020-10-21","18:00:00",""
"1548049","9.2332","0.0006","12.2853","0.0009","19.3386","0.0011","85.098","0.005","76.757","0.005","88.79","0.005","2127.5","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C44.5 H29 B2 Cl Co F8 N6 O4 -","- C44.5 H29 B2 Cl Co F8 N6 O4 -","- C89 H58 B4 Cl2 Co2 F16 N12 O8 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54184","CuKα","","0.1357","0.1045","","","0.2864","0.3166","","","","","","1.04","","","","has coordinates","203174","2020-10-21","18:00:00",""
"1548050","16.7978","0.0004","31.2594","0.0011","24.9128","0.0009","90","","103.209","0.003","90","","12735.3","0.7","150.06","0.14","150.06","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97 H161 Cr7.04 F8 N4 Ni0.96 O32 -","- C97 H161 Cr7.04 F8 N4 Ni0.96 O32 -","- C388 H644 Cr28.16 F32 N16 Ni3.84 O128 -","4","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.71073","MoKα","","0.0965","0.0569","","","0.1141","0.1341","","","","","","1.025","","","","has coordinates,has disorder","203175","2020-10-21","18:00:00",""
"1548051","30.5037","0.0019","16.5057","0.0005","32.2556","0.0019","90","","115.872","0.007","90","","14612.5","1.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C110 H173 Cr7 F8 N4 Ni O32 -","- C110 H173 Cr7 F8 N4 Ni O32 -","- C440 H692 Cr28 F32 N16 Ni4 O128 -","4","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54184","CuKα","","0.173","0.1191","","","0.3297","0.3876","","","","","","1.147","","","","has coordinates,has disorder","203176","2020-10-21","18:00:00",""
"1548075","10.9738","0.0004","11.9313","0.0004","12.6146","0.0006","118.021","0.003","108.361","0.004","96.476","0.003","1315.07","0.12","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C38 H80 As2 Ge2 K2 N6 O12 -","- C38 H80.0011 As2 Ge2 K2 N6 O12 -","- C38 H80.0011 As2 Ge2 K2 N6 O12 -","1","1","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.0494","0.0454","","","0.1157","0.1189","","","","","","1.076","","","","has coordinates,has disorder","203258","2020-10-21","18:00:00",""
"1548076","11.8653","0.0003","11.8653","0.0003","22.3848","0.0009","90","","90","","120","","2729.24","0.15","110","2","110","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C36 H72 As2 Ge7 K2 N4 O12 -","- C36 H72 As2.0007 Ge6.9984 K2 N4 O12 -","- C72 H144 As4.0014 Ge13.9968 K4 N8 O24 -","2","0.166667","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.109","0.0521","","","0.0983","0.1048","","","","","","0.958","","","","has coordinates","203259","2020-10-21","18:00:00",""
"1548077","13.7543","0.0002","28.6077","0.0005","22.9845","0.0004","90","","92.489","0.001","90","","9035.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H124 As4 Ge6 K3 N6 O18 Ta -","- C68 H124 As4 Ge6 K3 N6 O18 Ta -","- C272 H496 As16 Ge24 K12 N24 O72 Ta4 -","4","1","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.0562","0.0346","","","0.0795","0.0838","","","","","","0.884","","","","has coordinates,has disorder","203260","2020-10-21","18:00:00",""
"1548078","16.6082","0.0005","22.696","0.0008","23.9068","0.0008","94.96","0.003","94.036","0.003","91.402","0.003","8951.2","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H116 As4.79 Ge8 K3 N8 O18 Ta -","- C47 H98.0001 As4.79065 Ge8.0004 K3 N7 O15 Ta -","- C188 H392.001 As19.1626 Ge32.0016 K12 N28 O60 Ta4 -","4","2","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.1187","0.0735","","","0.1838","0.1973","","","","","","0.991","","","","has coordinates","203261","2020-10-21","18:00:00",""
"1548079","27.6082","0.0004","23.0173","0.0004","24.3319","0.0004","90","","90","","90","","15462.1","0.4","173","","173","","","","","","","","Lab 312, RCS1, Imperial College London","5","A e a 2","A 2 -2ab","41","","Zn11Et10O4(DPPA)4","","- C68 H90 O12 P4 Zn11 -","- C68 H90 O12 P4 Zn11 -","- C544 H720 O96 P32 Zn88 -","8","1","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0443","0.0334","","0.0767","0.0719","0.0767","","","","","","0.9947","","","","has coordinates","203262","2020-10-21","18:00:00",""
"1548080","24.3886","0.0005","10.1308","0.0002","23.8034","0.0005","90","","110.684","0.002","90","","5502.2","0.2","173","","173","","","","","","","","RCS1 312 Imperial College London","5","C 1 2/c 1","-C 2yc","15","","Zn4Et4(DPPA)4","","- C56 H60 O8 P4 Zn4 -","- C56 H60 O8 P4 Zn4 -","- C224 H240 O32 P16 Zn16 -","4","0.5","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0374","0.0295","","0.0653","0.0618","0.0653","","","","","","0.9733","","","","has coordinates","203263","2020-10-21","18:00:00",""
"1548081","26.8366","0.0004","19.619","0.0003","18.5191","0.0003","90","","94.853","0.0014","90","","9715.5","0.3","173","","173","","","","","","","","RCS1 312 Imperial College London","5","P 1 21/c 1","-P 2ybc","14","","Zn4O(DMeOPPA)6","","- C98 H100 O25 P6 Zn4 -","- C98 H100 O25 P6 Zn4 -","- C392 H400 O100 P24 Zn16 -","4","1","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0599","0.0386","","0.0981","0.0844","0.098","","","","","","1.0132","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548082","18.0222","0.0003","27.3672","0.0004","24.9782","0.0004","90","","104.179","0.0018","90","","11944.4","0.3","173","","173","","","","","","","","RCS1 312 Imperial College London","5","P 1 21/c 1","-P 2ybc","14","","Zn6(OH)3(DPPA)9","","- C115 H101 O21 P9 Zn6 -","- C115 H101 O21 P9 Zn6 -","- C460 H404 O84 P36 Zn24 -","4","1","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0833","0.0449","","0.1015","0.0946","0.1015","","","","","","0.9335","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548083","18.9696","0.0003","19.3442","0.0003","35.8523","0.0007","100.397","0.0016","98.3638","0.0016","98.829","0.0015","12582.2","0.4","173","","173","","","","","","","","Lab 312, RCS1, Imperial Collegel London","6","P -1","-P 1","2","","Zn6B3O6(DPPA)9","","- C124 H122 B3 O28 P9 Zn6 -","- C124 H122 B3 O28 P9 Zn6 -","- C496 H488 B12 O112 P36 Zn24 -","4","2","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","1.54184","CuKα","","0.0451","0.0389","","0.1054","0.1006","0.1053","","","","","","0.9889","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548084","13.05","0.0002","13.05","0.0002","16.2992","0.0007","90","","90","","120","","2403.91","0.12","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C51 H29 N3 O13 Zn3 -","- C51 H27 N3 O13 Zn3 -","- C102 H54 N6 O26 Zn6 -","2","0.333333","","Huajun He; En Ma; Yuanjing Cui; Jiancan Yu; Yu Yang; Tao Song; Chuan-De Wu; Xueyuan Chen; Banglin Chen; Guodong Qian","Polarized three-photon-pumped laser in a single MOF microcrystal","Nature Communications","2016","7","","11087","","10.1038/ncomms11087","","","0.71073","MoKα","","0.1279","0.0567","","","0.1294","0.1448","","","","","","1.019","","","","has coordinates","203267","2020-10-21","18:00:00",""
"1548085","37.092","0.002","15.8045","0.0002","22.2156","0.0012","90","","140.685","0.011","90","","8251","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H150 Li2 N10 Si6 U2 -","- C66 H150 Li2 N10 Si6 U2 -","- C264 H600 Li8 N40 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0257","0.0236","","","0.0586","0.0599","","","","","","1.035","","","","has coordinates","203269","2020-10-21","18:00:00",""
"1548086","13.8074","0.0007","23.2204","0.0019","26.3621","0.0015","90","","90","","90","","8452","0.9","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 K2 N10 Si6 U2 -","- C66 H150 K2 N10 Si6 U2 -","- C264 H600 K8 N40 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0636","0.051","","","0.1286","0.1372","","","","","","1.059","","","","has coordinates","203270","2020-10-21","18:00:00",""
"1548087","13.7527","0.0003","23.1023","0.0005","26.7606","0.0004","90","","90","","90","","8502.4","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 N10 Rb2 Si6 U2 -","- C66 H150 N10 Rb2 Si6 U2 -","- C264 H600 N40 Rb8 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0364","0.0314","","","0.0805","0.0824","","","","","","0.98","","","","has coordinates","203271","2020-10-21","18:00:00",""
"1548088","22.76348","0.00012","17.0958","0.00009","22.50605","0.00012","90","","100.782","0.0005","90","","8603.83","0.08","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C66 H150 Cs2 N10 Si6 U2 -","- C66 H150 Cs2 N10 Si6 U2 -","- C264 H600 Cs8 N40 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0396","0.0395","","","0.1031","0.1031","","","","","","1.074","","","","has coordinates,has disorder","203272","2020-10-21","18:00:00",""
"1548089","11.3428","0.0003","16.5053","0.0005","18.3155","0.0005","79.554","0.003","85.928","0.002","81.641","0.002","3332.79","0.17","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H115 K N5 O10 Si3 U -","- C53 H115 K N5 O10 Si3 U -","- C106 H230 K2 N10 O20 Si6 U2 -","2","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0349","0.0321","","","0.0803","0.0823","","","","","","1.044","","","","has coordinates,has disorder","203273","2020-10-21","18:00:00",""
"1548090","15.8741","0.0003","18.5622","0.0003","24.7397","0.0004","90","","104.27","0.0016","90","","7064.8","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H115 N5 O10 Rb Si3 U -","- C61 H115 N5 O10 Rb Si3 U -","- C244 H460 N20 O40 Rb4 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0245","0.022","","","0.0526","0.054","","","","","","1.02","","","","has coordinates,has disorder","203274","2020-10-21","18:00:00",""
"1548091","16.09798","0.00019","18.4937","0.0002","24.5732","0.0003","90","","103.225","0.0012","90","","7121.71","0.15","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H115 Cs N5 O10 Si3 U -","- C61 H115 Cs N5 O10 Si3 U -","- C244 H460 Cs4 N20 O40 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0667","0.0585","","","0.1422","0.1488","","","","","","1.025","","","","has coordinates,has disorder","203275","2020-10-21","18:00:00",""
"1548092","25.5519","0.0002","13.37345","0.00009","14.81292","0.0001","90","","90","","90","","5061.83","0.06","120","2","120","2","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C41 H91 Li N5 O4 Si3 U -","- C41 H91 Li N5 O4 Si3 U -","- C164 H364 Li4 N20 O16 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0304","0.0285","","","0.0708","0.0728","","","","","","1.017","","","","has coordinates,has disorder","203276","2020-10-21","18:00:00",""
"1548093","23.7586","0.0003","23.7586","0.0003","23.7586","0.0003","90","","90","","90","","13411","0.3","120","2","120","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C52.5 H116.5 N5 O6 Rb Si3 U -","- C45 H99 N5 O6 Rb Si3 U -","- C360 H792 N40 O48 Rb8 Si24 U8 -","8","0.333333","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0816","0.0699","","","0.1987","0.212","","","","","","1.061","","","","has coordinates,has disorder","203277","2020-10-21","18:00:00",""
"1548094","14.5874","0.0004","13.7318","0.0003","28.4495","0.0008","90","","91.52","0.003","90","","5696.7","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H99 Cs N5 O6 Si3 U -","- C45 H99 Cs N5 O6 Si3 U -","- C180 H396 Cs4 N20 O24 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0535","0.0457","","","0.1204","0.1285","","","","","","1.025","","","","has coordinates","203278","2020-10-21","18:00:00",""
"1548095","11.83314","0.0001","22.09845","0.00018","22.8903","0.00019","90","","90","","90","","5985.68","0.09","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H99 K N5 O6 Si3 U -","- C53 H99 K N5 O6 Si3 U -","- C212 H396 K4 N20 O24 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.016","0.0158","","","0.0373","0.0374","","","","","","1.062","","","","has coordinates","203279","2020-10-21","18:00:00",""
"1548162","17.579","0.004","17.158","0.003","25.46","0.005","90","","101.8","0.03","90","","7517","3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C81 H65 Au4 B Cl3 F4 N P4 -","- C81 H65 Au4 B Cl3 F4 N P4 -","- C324 H260 Au16 B4 Cl12 F16 N4 P16 -","4","1","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.710747","MoKα","","0.1437","0.1162","","","0.2724","0.3049","","","","","","1.205","","","","has coordinates","203480","2020-10-21","18:00:00",""
"1548163","17.519","0.004","19.67","0.004","20.326","0.004","76.07","0.03","81.79","0.03","72.44","0.03","6463","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H55 Au3 B Cl3 F4 N P3 -","- C69 H55 Au3 B Cl3 F4 N P3 -","- C276 H220 Au12 B4 Cl12 F16 N4 P12 -","4","2","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.710747","MoKα","","0.0924","0.0755","","","0.1907","0.2037","","","","","","1.158","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548164","10.506","0.002","16.748","0.003","19.375","0.004","67.55","0.03","89.98","0.03","89.81","0.03","3150.7","1.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C63 H56 Au3 B Cl3 F4 N P3 Si -","- C63 H56 Au3 B Cl3 F4 N P3 Si -","- C126 H112 Au6 B2 Cl6 F8 N2 P6 Si2 -","2","1","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.710747","MoKα","","0.063","0.0579","","","0.1447","0.149","","","","","","1.092","","","","has coordinates","203482","2020-10-21","18:00:00",""
"1548165","13.435","0.003","15.565","0.003","35.747","0.007","90","","97.59","0.03","90","","7410","3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C156 H124 Au8 B2 Cl6 F8 N2 P8 -","- C156 H124 Au8 B2 Cl6 F8 N2 P8 -","- C312 H248 Au16 B4 Cl12 F16 N4 P16 -","2","0.5","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.71073","MoKα","","0.087","0.0755","","","0.1966","0.2067","","","","","","1.161","","","","has coordinates,has disorder","203483","2020-10-21","18:00:00",""
"1548190","6.8269","0.0004","11.8121","0.0007","39.687","0.003","90","","90","","90","","3200.4","0.4","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2aS,4S,5'R,6aS,6bS,8aS,8bR,9S,10R,11aS,12aS,12bR)-5',6a,8a,9-tetramethyl-4-(4-p","","- C37 H54 O3 -","- C37 H54 O3 -","- C148 H216 O12 -","4","1","","Xi Lu; Bin Xiao; Zhenqi Zhang; Tianjun Gong; Wei Su; Jun Yi; Yao Fu; Lei Liu","Practical carbon?carbon bond formation from olefins through nickel-catalyzed reductive olefin hydrocarbonation","Nature Communications","2016","7","","11129","","10.1038/ncomms11129","","","1.54184","CuKα","","0.0721","0.0534","","","0.1236","0.145","","","","","","1.074","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548191","11.197","0.0001","11.9551","0.0001","14.1022","0.0002","90","","108.316","0.001","90","","1792.1","0.04","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(1S,2S,4S,5R)-2-((R)-quinolin-4-yl((trimethylsilyl)oxy)methyl)-5-(2-(1-tosylpipe","","- C34 H50 Cl N3 O4 S Si -","- C34 H50 Cl N3 O4 S Si -","- C68 H100 Cl2 N6 O8 S2 Si2 -","2","1","","Xi Lu; Bin Xiao; Zhenqi Zhang; Tianjun Gong; Wei Su; Jun Yi; Yao Fu; Lei Liu","Practical carbon?carbon bond formation from olefins through nickel-catalyzed reductive olefin hydrocarbonation","Nature Communications","2016","7","","11129","","10.1038/ncomms11129","","","1.54184","CuKα","","0.0866","0.0854","","","0.2767","0.2802","","","","","","1.085","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548192","28.9075","0.0003","29.7016","0.0002","78.032","0.0009","90","","90","","90","","66998.2","1.1","100","","100","","","","","","","","","8","P c a b","-P 2bc 2ac","61","","","","- C229.5 H354 Cr14 Cu F28 N4 Ni2 O70.5 -","- C229.5 H354 Cr14 Cu F28 N4 Ni2 O70.5 -","- C1836 H2832 Cr112 Cu8 F224 N32 Ni16 O564 -","8","1","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","","1.54184","CuKα","","0.1588","0.1164","","","0.3052","0.3377","","","","","","1.025","","","","has coordinates,has disorder","203528","2020-10-21","18:00:00",""
"1548193","25.5047","0.0005","31.7138","0.0004","31.7614","0.0005","73.3116","0.0013","86.822","0.0014","78.9831","0.0014","24154.7","0.7","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C336 H561 Co Cr21 F24 Fe2 N6 Ni3 O109 -","- C336 H561 Co0.9999 Cr21 F24 Fe2.0001 N6 Ni3 O109 -","- C672 H1122 Co1.9998 Cr42 F48 Fe4.0002 N12 Ni6 O218 -","2","1","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","x-ray","0.6889","","","0.1133","0.0635","","","0.1597","0.1999","","","","","","0.995","","","","has coordinates,has disorder","203529","2020-10-21","18:00:00",""
"1548194","24.4826","0.0009","27.8069","0.0011","28.5719","0.0009","103.388","0.003","98.656","0.003","115.074","0.004","16443","1.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C518 H842 Cr28 Cu2 F32 N6 Ni4 O136 S2 -","- C518 H842 Cr28.16 Cu2 F32 N6 Ni4.16 O136 S2 -","- C518 H842 Cr28.16 Cu2 F32 N6 Ni4.16 O136 S2 -","1","0.5","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","","1.54184","CuKα","","0.1572","0.0913","","","0.2478","0.2958","","","","","","1.023","","","","has coordinates","203530","2020-10-21","18:00:00",""
"1548195","17.4882","0.0005","31.3959","0.0007","57.0602","0.0015","78.323","0.002","84.724","0.002","89.6349","0.0019","30548.6","1.4","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C430 H719 Cr28 Cu F32 N8 Ni4 O134 S2 -","- C429.503 H718.078 Cr28 Cu0.9995 F32 N7.999 Ni4 O134 S2 -","- C859.006 H1436.16 Cr56 Cu1.999 F64 N15.998 Ni8 O268 S4 -","2","1","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","x-ray","0.71073","MoKα","","0.229","0.1727","","","0.4375","0.4833","","","","","","1.462","","","","has coordinates,has disorder","203531","2020-10-21","18:00:00",""
"1548196","25.5619","0.0002","25.5619","0.0002","12.5769","0.0002","90","","90","","90","","8217.88","0.16","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C41.5 H31 F12 N7 P2 Ru -","- C41.5 H31 F12 N7 P2 Ru -","- C332 H248 F96 N56 P16 Ru8 -","8","2","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","0.71073","MoKα","","0.0772","0.0678","","","0.1681","0.1759","","","","","","1.05","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548197","13.8114","0.0002","14.0525","0.0002","20.7957","0.0003","90","","90","","90","","4036.13","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H24 Cl2 N8 O15 Ru -","- C40 H24 Cl2 N8 O15 Ru -","- C160 H96 Cl8 N32 O60 Ru4 -","4","1","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","1.54178","CuKα","","0.0462","0.0438","","","0.1168","0.1195","","","","","","1.027","","","","has coordinates","203533","2020-10-21","18:00:00",""
"1548198","13.7734","0.0002","14.0148","0.0002","20.71","0.0003","90","","90","","90","","3997.68","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H18 Cl2 N8 O15 Ru -","- C40 H18 Cl2 N8 O15 Ru -","- C160 H72 Cl8 N32 O60 Ru4 -","4","1","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","1.54184","CuKα","","0.0424","0.0409","","","0.1069","0.1084","","","","","","1.032","","","","has coordinates,has disorder","203534","2020-10-21","18:00:00",""
"1548199","25.5802","0.0001","25.5802","0.0001","12.5709","0.0001","90","","90","","90","","8225.73","0.08","150","2","150","2","","","","","","","","6","P 43","P 4cw","78","","","","- C41.5 H31 F12 N7 P2 Ru -","- C41.5 H31 F12 N7 P2 Ru -","- C332 H248 F96 N56 P16 Ru8 -","8","2","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","0.71073","MoKα","","0.0509","0.0408","","","0.0996","0.1071","","","","","","1.025","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548200","32.2284","0.0004","32.2284","0.0004","38.2801","0.0007","90","","90","","90","","39760.4","1","150","2","150","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C512 H320 N120 O8 Pd6 Ru8 -","- C512 H320 N120 O8 Pd6 Ru8 -","- C1024 H640 N240 O16 Pd12 Ru16 -","2","0.125","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","x-ray","1.54184","","","0.1199","0.0711","","","0.1898","0.2375","","","","","","1.008","","","","has coordinates","203537","2020-10-21","18:00:00",""
"1548201","32.5722","0.0006","32.5722","0.0006","38.7258","0.0009","90","","90","","90","","41086.1","1.4","150","2","150","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C512 H320 N120 O8 Pd6 Ru8 -","- C512 H320 N120 O8 Pd6 Ru8 -","- C1024 H640 N240 O16 Pd12 Ru16 -","2","0.125","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","x-ray","1.54184","CuKα","","0.1523","0.0913","","","0.2275","0.268","","","","","","1.038","","","","has coordinates","203538","2020-10-21","18:00:00",""
"1548202","12.153","0.002","15.986","0.003","18.29","0.003","90","","90","","90","","3553.3","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 Co N6 O8 S4 -","- C28 H52 Co N6 O8 S4 -","- C112 H208 Co4 N24 O32 S16 -","4","1","","Yvonne Rechkemmer; Frauke D. Breitgoff; Margarethe van der Meer; Mihail Atanasov; Michael Hakl; Milan Orlita; Petr Neugebauer; Frank Neese; Biprajit Sarkar; Joris van Slageren","A four-coordinate cobalt(II) single-ion magnet with coercivity and a very high energy barrier","Nature Communications","2016","7","","10467","","10.1038/ncomms10467","","","0.71073","MoKα","","0.0201","0.0193","","","0.0527","0.0531","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548253","9.19","0.001","30.098","0.003","10.4179","0.0011","90","","102.688","0.003","90","","2811.2","0.5","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H32 B2 N4 -","- C35 H32 B2 N4 -","- C140 H128 B8 N16 -","4","2","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0926","0.0665","","","0.1485","0.1648","","","","","","1.009","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548254","7.4966","0.0007","14.1674","0.0014","26.033","0.002","90","","95.734","0.003","90","","2751.1","0.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H29 B2 Br N4 -","- C31.5 H29 B2 Br N4 -","- C126 H116 B8 Br4 N16 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0992","0.0546","","","0.0985","0.1113","","","","","","1.064","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548255","7.5717","0.0011","13.808","0.002","27.35","0.004","90","","96.647","0.005","90","","2840.2","0.7","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B2 Cl N5 O -","- C31 H32 B2 Cl N5 O -","- C124 H128 B8 Cl4 N20 O4 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.137","0.0695","","","0.1359","0.1643","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548256","6.7243","0.0002","8.4506","0.0004","9.7798","0.0004","76.647","0.003","85.978","0.002","66.7788","0.0019","496.77","0.04","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 B2 Cl2 N4 -","- C20 H20 B2 Cl2 N4 -","- C20 H20 B2 Cl2 N4 -","1","0.5","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0722","0.0475","","","0.1146","0.1259","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548257","28.875","0.004","8.473","0.0015","19.549","0.003","90","","132.202","0.004","90","","3543","1","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 B2 N4 -","- C20 H20 B2 N4 -","- C160 H160 B16 N32 -","8","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0913","0.0538","","","0.1094","0.1261","","","","","","1.015","","","","has coordinates","203690","2020-10-21","18:00:00",""
"1548258","7.2251","0.0007","14.5333","0.0012","22.5468","0.0019","90","","91.921","0.005","90","","2366.2","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 B2 F3 N4 O3 S -","- C22 H23 B2 F3 N4 O3 S -","- C88 H92 B8 F12 N16 O12 S4 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1568","0.0757","","","0.1838","0.2325","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548259","29.987","0.003","7.0147","0.0007","25.999","0.003","90","","110.164","0.004","90","","5133.7","0.9","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H33 B3 N4 O2 -","- C26 H33 B3 N4 O2 -","- C208 H264 B24 N32 O16 -","8","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1059","0.0544","","","0.1129","0.1375","","","","","","1.019","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548260","20.534","0.008","18.455","0.007","7.417","0.003","90","","94.979","0.009","90","","2800.1","1.9","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 B2 N4 Si -","- C32 H32 B2 N4 Si -","- C128 H128 B8 N16 Si4 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1793","0.0752","","","0.1387","0.1811","","","","","","0.989","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548261","8.115","0.0008","13.162","0.0013","16.232","0.0016","106.603","0.003","102.639","0.003","104.799","0.003","1524.6","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 B2 F2 N4 P -","- C35 H32 B2 F2 N4 P -","- C70 H64 B4 F4 N8 P2 -","2","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1264","0.0635","","","0.1222","0.1462","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548262","15.071","0.005","8.378","0.003","14.966","0.005","90","","90","","90","","1889.7","1.1","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H20 B2 N4 O2 -","- C21 H20 B2 N4 O2 -","- C84 H80 B8 N16 O8 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.2159","0.0847","","","0.146","0.1894","","","","","","1.013","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548263","8.2613","0.0014","23.616","0.004","12.724","0.003","90","","106.778","0.005","90","","2376.8","0.8","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 B2 N4 -","- C28 H28 B2 N4 -","- C112 H112 B8 N16 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1287","0.063","","","0.1307","0.1594","","","","","","1.008","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548364","9.7625","0.0004","10.5921","0.0003","14.2369","0.0005","76.453","0.003","73.12","0.003","67.988","0.003","1292.94","0.09","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N4 O3 Pd -","- C31 H21 N4 O3 Pd -","- C62 H42 N8 O6 Pd2 -","2","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.057","0.0508","","","0.1118","0.1143","","","","","","1.194","","","","has coordinates,has disorder","203927","2020-10-21","18:00:00",""
"1548365","7.7318","0.0004","14.2451","0.0008","21.9203","0.0017","90","","90","","90","","2414.3","0.3","170.5","","170.5","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N3 O5 -","- C29 H23 N3 O5 -","- C116 H92 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0591","0.0414","","","0.0932","0.1079","","","","","","1.124","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548366","7.6735","0.0005","14.4087","0.0011","21.653","0.002","90","","90","","90","","2394.1","0.3","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 N3 O5 -","- C28 H21 N3 O5 -","- C112 H84 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0558","0.04","","","0.0937","0.1024","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548367","7.7205","0.0004","14.332","0.0009","22.282","0.001","90","","90","","90","","2465.5","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 F N3 O5 -","- C29 H22 F N3 O5 -","- C116 H88 F4 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0512","0.0369","","","0.0878","0.0983","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548368","10.4773","0.0006","11.3275","0.0006","15.9059","0.0008","90","","90","","90","","1887.74","0.18","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N3 O5 -","- C22 H17 N3 O5 -","- C88 H68 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0441","0.0337","","","0.079","0.0847","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548370","20.8082","0.0004","24.0721","0.0004","26.2995","0.0004","80.2288","0.0013","72.5101","0.0015","75.3058","0.0015","12090.9","0.4","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","(CCCC)-1&(AAAA)-1","","","- C228 H288 N12 -","- C228 H287.999 N12 -","- C456 H575.999 N24 -","2","1","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54184","CuKα","","0.1089","0.0955","","","0.2889","0.3075","","","","","","1.098","","","","has coordinates,has disorder","203933","2020-10-21","18:00:00",""
"1548371","23.3017","0.0003","23.3017","0.0003","51.4329","0.0007","90","","90","","120","","24185","0.5","100","2","100.15","","","","","","","","","3","R 3","R 3","146","(AAAA)-2","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54178","CuKα","","0.1069","0.096","","","0.2428","0.2551","","","","","","0.982","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548372","23.1134","0.0009","23.1134","0.0009","52.322","0.003","90","","90","","120","","24207.1","1.9","100.01","0.1","100.01","0.1","","","","","","","","3","R 3","R 3","146","(CAAA)-2","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54184","CuKα","","0.0823","0.0696","","","0.1906","0.2059","","","","","","0.935","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548373","23.121","0.002","23.121","0.002","51.666","0.002","90","","90","","120","","23919","3","100.01","0.1","100.01","0.1","","","","","","","","3","R 3","R 3","146","(CCCC)-3","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","x-ray","1.54184","CuKα","","0.1038","0.0725","","","0.1663","0.185","","","","","","0.811","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548374","23.2072","0.0006","23.2072","0.0006","52.1786","0.0011","90","","90","","120","","24337.1","1","100.15","","100.15","","","","","","","","","3","R 3","R 3","146","(CCCA)-3","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54184","CuKα","","0.0763","0.0646","","","0.1752","0.1855","","","","","","0.941","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548412","10.0193","0.0005","11.4723","0.0006","10.4263","0.0005","90","","92.079","0.003","90","","1197.66","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","SBP-20160126","","","- C23 H26 N6 O6 S -","- C23 H26 N6 O6 S -","- C46 H52 N12 O12 S2 -","2","1","","Jonghoon Kim; Jinjoo Jung; Jaeyoung Koo; Wansang Cho; Won Seok Lee; Chanwoo Kim; Wonwoo Park; Seung Bum Park","Diversity-oriented synthetic strategy for developing a chemical modulator of protein-protein interaction","Nature Communications","2016","7","","13196","","10.1038/ncomms13196","","","0.71073","","","0.317","0.138","","","0.2464","0.3164","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548448","11.5577","0.0005","16.8408","0.0007","24.6521","0.0009","90","","90","","90","","4798.3","0.3","","","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H40 O5 Si -","- C25 H40 O5 Si -","- C200 H320 O40 Si8 -","8","1","","Jing Gong; Huan Chen; Xiao-Yu Liu; Zhi-Xiu Wang; Wei Nie; Yong Qin","Total synthesis of atropurpuran","Nature Communications","2016","7","","12183","","10.1038/ncomms12183","","x-ray","0.71073","MoKα","","0.0699","0.0479","","","0.1143","0.127","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:53",""
"4344922","29.2649","0.0004","7.8975","0.0001","42.5654","0.0007","90","","90","","90","","9837.7","0.2","100","0.3","100","0.3","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H33 N O9 Zn -","- C35 H33 N O9 Zn -","- C280 H264 N8 O72 Zn8 -","8","1","","Li, Wei-Jin; Liu, Juan; Sun, Zhi-Hua; Liu, Tian-Fu; Lü, Jian; Gao, Shui-Ying; He, Chao; Cao, Rong; Luo, Jun-Hua","Integration of metal-organic frameworks into an electrochemical dielectric thin film for electronic applications","Nature Communications","2016","7","15","11830","","10.1038/ncomms11830","","","1.54184","CuKα","","0.0809","0.0697","","","0.2013","0.2105","","","","","","1.084","","","","has coordinates","189228","2020-10-21","18:00:00",""