# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-16T16:21:21+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Energy & environmental science') 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
"1513733","21.462","0.011","10.226","0.005","19.538","0.01","90","","109.458","0.013","90","","4043","4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","cz_1_20120305","cz_1_20120305","","- C78 H18 -","- C78 H18 -","- C312 H72 -","4","1","","Cho, Namchul; Li, Chang-Zhi; Yip, Hin-Lap; Jen, Alex K.-Y.","In situ doping and crosslinking of fullerenes to form efficient and robust electron-transporting layers for polymer solar cells","Energy & Environmental Science","2014","7","2","638","","10.1039/c3ee42509f","","","0.71073","MoKα","","0.2784","0.1487","","","0.3398","0.4411","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513734","8.1254","0.0001","18.6567","0.0002","26.9854","0.0004","90","","96.5869","0.0006","90","","4063.8","0.09","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 Br6 N -","- C18 H9 Br6 N -","- C144 H72 Br48 N8 -","8","2","","Odom, Susan A.; Ergun, Selin; Poudel, Pramod P.; Parkin, Sean R.","A fast, inexpensive method for predicting overcharge performance in lithium-ion batteries","Energy & Environmental Science","2014","7","2","760","","10.1039/c3ee42305k","","","0.71073","MoKα","","0.091","0.0441","","","0.0628","0.0728","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513735","5.7951","0.0001","12.7103","0.0002","16.8547","0.0003","90","","90","","90","","1241.47","0.04","110","","110","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C5 H4 F6 Li N O7 S2 -","- C5 H4 F6 Li N O7 S2 -","- C20 H16 F24 Li4 N4 O28 S8 -","4","1","","McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A.","Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms","Energy & Environmental Science","2014","7","1","416","","10.1039/c3ee42351d","","","0.71073","MoKα","","0.0395","0.0332","","","0.0743","0.077","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513736","8.729","0.003","14.045","0.005","16.041","0.006","90","","90","","90","","1966.6","1.2","110","","110","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C11 H12 F6 Li N O13 S2 -","- C11 H12 F6 Li N O13 S2 -","- C44 H48 F24 Li4 N4 O52 S8 -","4","1","","McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A.","Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms","Energy & Environmental Science","2014","7","1","416","","10.1039/c3ee42351d","","","0.71073","MoKα","","0.073","0.0472","","","0.1138","0.1265","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514143","8.0983","0.0006","12.4502","0.0009","15.5631","0.0012","105.76","0.001","103.114","0.001","101.124","0.001","1415.5","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(bpyPY2Me)(MeCN)(OTf)](OTf)","","","- C26 H21 Co F6 N5 O6 S2 -","- C26 H21 Co F6 N5 O6 S2 -","- C52 H42 Co2 F12 N10 O12 S4 -","2","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.0276","0.0253","","","0.0637","0.0658","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514144","16.288","0.003","16.463","0.003","17.02","0.003","62.683","0.002","83.145","0.002","83.634","0.002","4017.8","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(bpy(PYCF3)2)(MeCN)(OTf)](OTf)","","","- C33 H26.5 Co F12 N7.5 O6 S2 -","- C33 H26.5 Co F12 N7.5 O6 S2 -","- C132 H106 Co4 F48 N30 O24 S8 -","4","2","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.1652","0.078","","","0.1962","0.2459","","","","","","1.016","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514145","8.3555","0.0005","13.6865","0.0008","15.1917","0.0008","116.451","0.002","94.117","0.002","90.678","0.003","1549.54","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(bpyPY2OH)(MeCN)(OTf)](OTf)","","","- C27 H22 Co F6 N6 O7 S2 -","- C27 H22 Co F6 N6 O7 S2 -","- C54 H44 Co2 F12 N12 O14 S4 -","2","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.0302","0.0275","","","0.1129","0.1182","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514146","12.0052","0.0015","17.117","0.002","13.5392","0.0017","90","","99.567","0.002","90","","2743.5","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","sck001","","","- C25 H20 Co F6 N4 O6 S2 -","- C25 H20 Co F6 N4 O6 S2 -","- C100 H80 Co4 F24 N16 O24 S8 -","4","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.0317","0.0296","","","0.0701","0.0717","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514147","12.8142","0.0005","16.9334","0.0006","13.8652","0.0006","90","","98.362","0.002","90","","2976.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Co F6 N5 O6 S2 -","- C27 H23 Co F6 N5 O6 S2 -","- C108 H92 Co4 F24 N20 O24 S8 -","4","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.0297","0.0277","","","0.066","0.0672","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514148","9.6468","0.0005","11.9557","0.0006","14.9502","0.0008","105.694","0.003","105.787","0.003","100.066","0.003","1538.89","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 Co F6 N4 O9 S2 -","- C26 H28 Co F6 N4 O9 S2 -","- C52 H56 Co2 F12 N8 O18 S4 -","2","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.0322","0.0303","","","0.0716","0.0727","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514149","24.9411","0.0013","11.4329","0.0004","26.1884","0.0009","90","","116.585","0.002","90","","6678.1","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C30.5 H27 Co F6 N6 O6 S2 -","- C30.5 H27 Co F6 N6 O6 S2 -","- C244 H216 Co8 F48 N48 O48 S16 -","8","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.1204","0.061","","","0.1393","0.1675","","","","","","1.027","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514502","8.947","","14.538","","14.887","","75.26","","78.85","","82.01","","1829.06","","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H38 N2 O6 -","- C49 H38 N2 O6 -","- C98 H76 N4 O12 -","2","1","","Cheriya, Rijo T.; Mallia, Ajith R.; Hariharan, Mahesh","Light harvesting vesicular donor‒acceptor scaffold limits the rate of charge recombination in the presence of an electron donor","Energy & Environmental Science","2014","7","5","1661","","10.1039/c3ee43293a","","","0.71073","MoKα","","0.2678","0.1541","","","0.4212","0.5014","","","","","","1.521","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514855","21.2598","0.0004","21.2598","0.0004","21.2598","0.0004","90","","90","","90","","9609","0.3","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Co2 K7 O49 W11 -","- Co1.96 K7.03 O49 W11.04 -","- Co15.68 K56.24 O392 W88.32 -","8","0.0416667","","Song, Fangyuan; Ding, Yong; Ma, Baochun; Wang, Changming; Wang, Qiang; Du, Xiaoqiang; Fu, Shao; Song, Jie","K7[CoIIICoII(H2O)W11O39]: a molecular mixed-valence Keggin polyoxometalate catalyst of high stability and efficiency for visible light-driven water oxidation","Energy & Environmental Science","2013","6","4","1170","","10.1039/c3ee24433d","","","0.71073","MoKα","","0.033","0.0284","","","0.0975","0.1008","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515283","12.1653","0.0016","6.7288","0.0008","10.3724","0.0011","90","","104.751","0.005","90","","821.08","0.17","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B H8 Li N2 -","- B H8 Li N2 -","- B8 H64 Li8 N16 -","8","2","","He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping","Borohydride hydrazinates: high hydrogen content materials for hydrogen storage","Energy & Environmental Science","2012","5","2","5686","","10.1039/c2ee03205h","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.10167","","1.74","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515284","12.0187","0.0006","6.49642","0.00032","7.6645","0.0005","90","","90","","90","","598.43","0.06","","","298","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- B H12 Li N4 -","- B H12 Li N4 -","- B4 H48 Li4 N16 -","4","1","","He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping","Borohydride hydrazinates: high hydrogen content materials for hydrogen storage","Energy & Environmental Science","2012","5","2","5686","","10.1039/c2ee03205h","powder diffraction","x-ray","1.238","synchrotron","","","","","","","","0.2003","","1.2","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515285","19.9269","0.001","15.0019","0.0008","21.745","0.0011","90","","102.643","0.0007","90","","6342.9","0.6","296.15","","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C62 H91 B2 F8 N5 Ni O4 P4 -","- C62 H91 B2 F8 N5 Ni O4 P4 -","- C248 H364 B8 F32 N20 Ni4 O16 P16 -","4","0.5","","Seu, Candace S.; Appel, Aaron M.; Doud, Michael D.; DuBois, Daniel L.; Kubiak, Clifford P.","Formate oxidation via β-deprotonation in [Ni(PR2NR′2)2(CH3CN)]2+ complexes","Energy & Environmental Science","2012","5","4","6480","","10.1039/c2ee03341k","","","0.71073","MOKα","","0.0533","0.0419","","","0.1308","0.1437","","","","","","1.085","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515286","16.076","0.004","23.952","0.005","17.49","0.004","90","","108.075","0.003","90","","6402","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H80 B Cl3 Mg2 O6 -","- C54 H80 B Cl3 Mg2 O6 -","- C216 H320 B4 Cl12 Mg8 O24 -","4","1","","Guo, Yong-sheng; Zhang, Fan; Yang, Jun; Wang, Fei-fei; NuLi, Yanna; Hirano, Shin-ichi","Boron-based electrolyte solutions with wide electrochemical windows for rechargeable magnesium batteries","Energy & Environmental Science","2012","5","10","9100","","10.1039/c2ee22509c","","","0.71073","MoKα","","0.1442","0.1031","","","0.2969","0.3265","","","","","","1.073","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515287","12.9569","0.0003","13.0714","0.0003","13.4709","0.0003","77.757","0.001","85.936","0.001","72.074","0.001","2121.33","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H58 Al Cl5 Mg2 O6 -","- C36 H58 Al Cl5 Mg2 O6 -","- C72 H116 Al2 Cl10 Mg4 O12 -","2","1","","Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari","Electrolyte roadblocks to a magnesium rechargeable battery","Energy & Environmental Science","2012","5","3","5941","","10.1039/c2ee03029b","","","0.71073","MoKα","","0.0478","0.0331","","","0.0735","0.0797","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515288","16.4151","0.0016","16.5787","0.0016","18.5617","0.0019","90","","109.364","0.001","90","","4765.6","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 B Cl3 Mg2 O6 -","- C48 H68 B Cl3 Mg2 O6 -","- C192 H272 B4 Cl12 Mg8 O24 -","4","1","","Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari","Electrolyte roadblocks to a magnesium rechargeable battery","Energy & Environmental Science","2012","5","3","5941","","10.1039/c2ee03029b","","","0.71073","MoKα","","0.0443","0.0345","","","0.086","0.0925","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515383","10.4802","0.0016","10.4802","0.0016","10.4802","0.0016","90","","90","","90","","1151.1","0.3","90","2","90","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al9.1 K8 Si36.9 -","- Al7.644 K8 Si38.356 -","- Al7.644 K8 Si38.356 -","1","0.0208333","","He, Yuping; Sui, Fan; Kauzlarich, Susan M.; Galli, Giulia","Si-based Earth abundant clathrates for solar energy conversion","Energy & Environmental Science","2014","7","8","2598","","10.1039/C4EE00256C","","","0.71073","MoKα","","0.0123","0.0113","","","0.0313","0.0322","","","","","","0.86","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515888","14.4512","0.0007","9.4625","0.0006","11.7824","0.0007","90","","90","","90","","1611.18","0.16","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H32 B2 N4 Ni -","- C10 H32 B2 N4 Ni -","- C40 H128 B8 N16 Ni4 -","4","0.5","","Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech","Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research","Energy & Environmental Science","2010","3","12","1973","","10.1039/c0ee00051e","","","0.71073","MoKα","","0.0943","0.0363","","","0.0873","0.0951","","","","","","0.818","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515889","7.1397","0.0005","12.8109","0.0007","8.7041","0.0005","90","","109.948","0.006","90","","748.36","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H32 B2 N4 Ni -","- C10 H32 B2 N4 Ni -","- C20 H64 B4 N8 Ni2 -","2","0.5","","Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech","Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research","Energy & Environmental Science","2010","3","12","1973","","10.1039/c0ee00051e","","","0.71073","MoKα","","0.0251","0.019","","","0.0501","0.0511","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515890","22.847","0.015","22.847","0.015","12.458","0.016","90","","90","","90","","6503","10","150","2","150","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C17 H20 Co N5 O1.5 -","- C12 H8 Co N4 -","- C192 H128 Co16 N64 -","16","0.5","","Choi, Hye Jin; Dincă, Mircea; Dailly, Anne; Long, Jeffrey R.","Hydrogen storage in water-stable metal‒organic frameworks incorporating 1,3- and 1,4-benzenedipyrazolate","Energy & Environmental Science","2010","3","1","117","","10.1039/b917512a","","","0.7749","synchrotron","","0.0794","0.0635","","","0.1642","0.1748","","","","","","1.339","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515997","34.2939","0.0013","12.9425","0.0005","28.6361","0.0011","90","","121.872","0.001","90","","10793.8","0.7","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[RCoCl][BF4]","","","- C56 H56 B Cl Co F4 N4 P4 -","- C56 H56 B Cl Co F4 N4 P4 -","- C448 H448 B8 Cl8 Co8 F32 N32 P32 -","8","1","","Jacobsen, George M.; Yang, Jenny Y.; Twamley, Brendan; Wilson, Aaron D.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L.","Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere","Energy & Environmental Science","2008","1","1","167","","10.1039/b805309j","","x-ray","0.71073","MoKα","","0.0634","0.0514","","","0.1372","0.1446","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515998","10.0584","0.0004","20.1715","0.0007","17.605","0.0006","90","","93.102","0.001","90","","3566.7","0.2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[C34H37CoN5P2]2[BF4]","","","- C34 H37 B2 Co F8 N5 P2 -","- C34 H37 B2 Co F8 N5 P2 -","- C136 H148 B8 Co4 F32 N20 P8 -","4","1","","Jacobsen, George M.; Yang, Jenny Y.; Twamley, Brendan; Wilson, Aaron D.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L.","Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere","Energy & Environmental Science","2008","1","1","167","","10.1039/b805309j","","x-ray","0.71073","MoKα","","0.0449","0.0345","","","0.0838","0.0899","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516138","8.92686","0.00006","16.30625","0.00008","16.1629","0.00009","90","","99.0197","0.0005","90","","2323.64","0.02","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Cl F3 Ir N4 O3 S -","- C20 H25 Cl F3 Ir N4 O3 S -","- C80 H100 Cl4 F12 Ir4 N16 O12 S4 -","4","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","1.54184","CuKα","","0.017","0.0166","","","0.0421","0.0424","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516139","8.6499","0.0001","30.9257","0.0003","11.9013","0.0002","90","","95.343","0.001","90","","3169.82","0.07","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C26 H32 Cl F6 Ir N4 O0.5 P -","- C26 H32 Cl F6 Ir N4 O0.5 P -","- C104 H128 Cl4 F24 Ir4 N16 O2 P4 -","4","2","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.042","0.035","","","0.0888","0.0902","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516140","16.815","0.0002","17.575","0.0002","28.6833","0.0004","90","","90","","90","","8476.59","0.18","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H47.38 B Cl Ir N4 O0.19 -","- C48 H47.384 B Cl Ir N4 O0.192 -","- C384 H379.072 B8 Cl8 Ir8 N32 O1.536 -","8","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0342","0.0217","","","0.0508","0.0526","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516141","8.1397","0.0003","12.0802","0.0004","12.1711","0.0004","93.308","0.002","98.055","0.003","96.258","0.003","1174.66","0.07","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H25 Cl F3 Ir N4 O3 S -","- C20 H25 Cl F3 Ir N4 O3 S -","- C40 H50 Cl2 F6 Ir2 N8 O6 S2 -","2","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0217","0.0206","","","0.0488","0.0494","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516142","9.9198","0.0002","12.2357","0.0003","14.1911","0.0003","88.964","0.002","72.328","0.002","67.558","0.002","1507.5","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 F6 Ir N5 O6 S2 -","- C24 H30 F6 Ir N5 O6 S2 -","- C48 H60 F12 Ir2 N10 O12 S4 -","2","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.02","0.0172","","","0.0364","0.0374","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516143","24.2752","0.0003","11.5628","0.0001","27.0877","0.0004","90","","101.757","0.002","90","","7443.72","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 F6 Ir N5 O7 S2 -","- C32 H38 F6 Ir N5 O7 S2 -","- C256 H304 F48 Ir8 N40 O56 S16 -","8","2","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0444","0.0353","","","0.0841","0.0895","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516144","15.4068","0.0002","12.8634","0.0001","17.5263","0.0002","90","","103.099","0.001","90","","3383.05","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 F6 Ir N5 O6 S2 -","- C28 H30 F6 Ir N5 O6 S2 -","- C112 H120 F24 Ir4 N20 O24 S8 -","4","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0357","0.0252","","","0.0492","0.0532","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516145","12.3897","0.0003","16.3148","0.0003","14.676","0.0004","90","","114.395","0.003","90","","2701.69","0.13","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Cl F3 Ir N4 O3 S -","- C25 H27 Cl F3 Ir N4 O3 S -","- C100 H108 Cl4 F12 Ir4 N16 O12 S4 -","4","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0268","0.021","","","0.0382","0.0403","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516146","17.0427","0.0007","12.0904","0.0005","18.0154","0.0008","90","","108.807","0.005","90","","3513.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 F6 Ir N8 O6 S2 -","- C30 H35 F6 Ir N8 O6 S2 -","- C120 H140 F24 Ir4 N32 O24 S8 -","4","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0507","0.0362","","","0.0732","0.0798","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1548065","11.5604","0.0009","13.805","0.0011","31.203","0.003","90","","93.357","0.002","90","","4971.2","0.7","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H73 Al Cl6 Mg2 N O7 Si2 -","- C34 H73 Al Cl6 Mg2 N O7 Si2 -","- C136 H292 Al4 Cl24 Mg8 N4 O28 Si8 -","4","1","","Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei","An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery","Energy & Environmental Science","2017","","","","","10.1039/C7EE02304A","","","0.71073","MoKα","","0.1659","0.0792","","","0.1816","0.222","","","","","","1.015","","","","has coordinates","203247","2020-10-21","18:00:00",""
"1548066","26.533","0.005","7.3366","0.0014","19.239","0.004","90","","90","","90","","3745.1","1.3","175","","175.01","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H39 Al2 Cl10 Mg2 O8 -","- C16 H39 Al2 Cl10 Mg2 O8 -","- C64 H156 Al8 Cl40 Mg8 O32 -","4","1","","Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei","An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery","Energy & Environmental Science","2017","","","","","10.1039/C7EE02304A","","","0.71073","MoKα","","0.122","0.1035","","","0.2926","0.3032","","","","","","1.038","","","","has coordinates","203248","2020-10-21","18:00:00",""
"1548067","36.905","0.005","13.215","0.002","20.962","0.003","90","","121.44","0.003","90","","8722","2","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H68 B2 Cl6 F48 Mg4 O20 -","- C48 H68 B2 Cl6 F48 Mg4 O20 -","- C192 H272 B8 Cl24 F192 Mg16 O80 -","4","0.5","","Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei","An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery","Energy & Environmental Science","2017","","","","","10.1039/C7EE02304A","","","0.71073","MoKα","","0.0895","0.0538","","","0.1426","0.1683","","","","","","1.025","","","","has coordinates","203249","2020-10-21","18:00:00",""
"1548068","13.389","0.005","14.252","0.005","16.825","0.006","108.785","0.01","90.513","0.01","114.274","0.009","2733.4","1.7","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 B Cl3 F24 Mg2 O10 -","- C36 H52 B Cl3 F24 Mg2 O10 -","- C72 H104 B2 Cl6 F48 Mg4 O20 -","2","1","","Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei","An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery","Energy & Environmental Science","2017","","","","","10.1039/C7EE02304A","","","0.71073","MoKα","","0.2889","0.1167","","","0.2898","0.3644","","","","","","0.937","","","","has coordinates,has disorder","203250","2020-10-21","18:00:00",""
"1548616","15.7074","0.0008","32.8408","0.0016","13.412","0.0009","90","","90","","90","","6918.5","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H21 Ga O6 -","- C15 H21 Ga O6 -","- C240 H336 Ga16 O96 -","16","4","","Li, Wenzhe; Zhang, Cuiling; Ma, Yunping; Liu, Chong; Fan, Jiandong; Mai, Yaohua; Schropp, Ruud E. I.","In situ induced core/shell stabilized hybrid perovskites via gallium(iii) acetylacetonate intermediate towards highly efficient and stable solar cells","Energy & Environmental Science","2018","11","2","286","","10.1039/C7EE03113K","","x-ray","0.71073","MoKα","","0.0799","0.0546","","","0.1302","0.1453","","","","","","1.072","","","","has coordinates","230081","2020-10-21","18:00:00",""
"1548617","12.3537","0.0006","12.2717","0.0005","15.5166","0.0007","90","","112.273","0.006","90","","2176.82","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Ga I N O6 -","- C16 H28 Ga I N O6 -","- C64 H112 Ga4 I4 N4 O24 -","4","1","","Li, Wenzhe; Zhang, Cuiling; Ma, Yunping; Liu, Chong; Fan, Jiandong; Mai, Yaohua; Schropp, Ruud E. I.","In situ induced core/shell stabilized hybrid perovskites via gallium(iii) acetylacetonate intermediate towards highly efficient and stable solar cells","Energy & Environmental Science","2018","11","2","286","","10.1039/C7EE03113K","","x-ray","0.71073","MoKα","","0.07","0.0522","","","0.1266","0.1424","","","","","","1.131","","","","has coordinates","230081","2020-10-21","18:00:00",""
"1548647","9.6668","0.0005","9.4892","0.0005","9.7273","0.0005","90","","90","","90","","892.29","0.08","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C H12 B11 Li -","- C H12 B11 Li -","- C4 H48 B44 Li4 -","4","1","","Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic","Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions","Energy & Environmental Science","2015","8","","3637","3645","10.1039/C5EE02941D","powder diffraction","","","X-ray","","","","","","","","","2.5703","","","","","","","","has coordinates","205028","2020-10-21","18:00:00",""
"1548648","9.7821","0.0004","9.6254","0.0004","10.0928","0.0004","90","","90","","90","","950.3","0.07","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C H12 B11 Na -","- C H12 B11 Na -","- C4 H48 B44 Na4 -","4","1","","Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic","Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions","Energy & Environmental Science","2015","8","","3637","3645","10.1039/C5EE02941D","powder diffraction","","","X-ray","","","","","","","","","2.6689","","","","","","","","has coordinates","205029","2020-10-21","18:00:00",""
"1552857","10.5358","0.001","12.5714","0.0012","15.0206","0.0014","101.715","0.002","107.958","0.002","109.766","0.002","1672.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H38 N2 O2 -","- C43 H38 N2 O2 -","- C86 H76 N4 O4 -","2","1","","Cao, Yang; Li, Yunlong; Morrissey, Thomas; Lam, Brian; Patrick, Brian O.; Dvorak, David; Xia, Zhicheng; Kelly, Timothy L.; Berlinguette, Curtis P.","Dopant-free molecular hole transport material that mediates a 20% power conversion efficiency in a perovskite solar cell","Energy & Environmental Science","2019","","","","","10.1039/C9EE02983D","","x-ray","0.71073","MoKα","","0.0689","0.0522","","","0.1356","0.1478","","","","","","1.031","","","","has coordinates,has disorder","227644","2020-10-21","18:00:00",""
"1552936","21.2554","0.0003","5.93942","0.0001","17.7277","0.0003","90","","90.6651","0.0012","90","","2237.88","0.06","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H58 N8 O13 -","- C44 H58 N8 O13 -","- C88 H116 N16 O26 -","2","0.5","","Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud","Accelerated charge transfer in water-layered peptide assemblies.","Energy & environmental science","2020","13","1","96","101","10.1039/c9ee02875g","","","1.54184","CuKα","","0.0431","0.0422","","","0.1168","0.1174","","","","","","1.154","","","","has coordinates","247756","2020-10-21","18:00:00",""
"1552937","21.2","0.004","5.9359","0.0009","17.737","0.003","90","","90.692","0.005","90","","2231.9","0.7","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H57 N8 O13 -","- C44 H57 N8 O13 -","- C88 H114 N16 O26 -","2","0.5","","Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud","Accelerated charge transfer in water-layered peptide assemblies.","Energy & environmental science","2020","13","1","96","101","10.1039/c9ee02875g","","","0.71073","MoKα","","0.095","0.0519","","","0.0854","0.0972","","","","","","0.983","","","","has coordinates","247756","2020-10-21","18:00:00",""
"1556887","19.597","0.0006","19.597","0.0006","36.7108","0.0015","90","","90","","90","","14098.5","0.8","180.15","","180.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C40 H48 B2 Ca F48 O16 -","- C40 H48 B2 Ca F48 O16 -","- C320 H384 B16 Ca8 F384 O128 -","8","0.5","","Li, Zhenyou; Fuhr, Olaf; Fichtner, Maximilian; Zhao-Karger, Zhirong","Towards stable and efficient electrolytes for room-temperature rechargeable calcium batteries","Energy & Environmental Science","2019","12","12","3496","","10.1039/C9EE01699F","","x-ray","0.71073","MoKα","","0.1065","0.0898","","","0.2536","0.2684","","","","","","1.224","","","","has coordinates","246385","2020-10-21","18:00:00",""
"1559217","8.7795","0.0012","8.7795","0.0012","8.1964","0.0016","90","","90","","120","","547.13","0.15","153","2","153.15","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- C I3 Pb -","- C I3 Pb -","- C2 I6 Pb2 -","2","0.166667","","Yang, Ning; Zhu, Cheng; Chen, Yihua; Zai, Huachao; Wang, Chenyue; Wang, Xi; Wang, Hao; Ma, Sai; Gao, Ziyan; Wang, Xueyun; Hong, Jiawang; Bai, Yang; Zhou, Huanping; Cui, Bin-Bin; Chen, Qi","An in situ cross-linked 1D/3D perovskite heterostructure improves the stability of hybrid perovskite solar cells for over 3000 h operation","Energy & Environmental Science","2020","13","11","4344","4352","10.1039/D0EE01736A","","","0.71073","MoKα","","0.0974","0.0954","","","0.2868","0.2902","","","","","","1.251","","","","has coordinates","259603","2020-12-06","14:25:06",""
"1559374","13.3351","0.0004","16.6987","0.0004","17.3392","0.0003","88.307","0.002","76.712","0.002","82.866","0.002","3728.61","0.16","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H68 Cl2 N4 O4 S2 -","- C68 H68 Cl2 N4 O4 S2 -","- C136 H136 Cl4 N8 O8 S4 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.1041","0.0889","","","0.274","0.2882","","","","","","1.049","","","","has coordinates","260796","2021-01-07","06:40:51",""
"1559375","13.6375","0.0006","15.398","0.0005","19.4824","0.0006","105.241","0.003","94.313","0.004","99.33","0.003","3865.1","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C82 H88 Cl2 N8 O2 S5 -","- C82 H88 Cl2 N8 O2 S5 -","- C164 H176 Cl4 N16 O4 S10 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.1814","0.0961","","","0.2539","0.3134","","","","","","0.986","","","","has coordinates","260796","2021-01-07","06:40:51",""
"1559376","14.699","0.002","17.173","0.003","17.727","0.002","65.789","0.014","65.996","0.013","72.836","0.014","3683.8","1","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C82 H88 Cl2 N8 O2 S5 -","- C82 H88 Cl2 N8 O2 S5 -","- C164 H176 Cl4 N16 O4 S10 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.3262","0.1302","","","0.322","0.4378","","","","","","0.963","","","","has coordinates","260796","2021-01-07","06:40:51",""
"1559377","14.6444","0.0012","15.9434","0.0016","17.986","0.0011","106.356","0.007","113.691","0.007","95.799","0.008","3578.6","0.6","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H68 Cl2 N4 O4 S2 -","- C68 H68 Cl2 N4 O4 S2 -","- C136 H136 Cl4 N8 O8 S4 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.2605","0.2023","","","0.5001","0.5666","","","","","","1.275","","","","has coordinates","260796","2021-01-07","06:40:51",""
"1564073","9.93013","0.00009","33.0819","0.0003","23.3061","0.0003","90","","94.7559","0.001","90","","7629.87","0.14","173","0.1","173","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H74 F4 N8 O2 S3 -","- C80 H74 F4 N8 O2 S3 -","- C320 H296 F16 N32 O8 S12 -","4","0.5","","Li, Xiaojun; Luo, Siwei; sun, huiliang; Liu, Tao; Sung, Herman H-Y.; Yu, Han; Xiao, Yiqun; Bai, Fujin; Pan, Mingao; Lu, Xinhui; Williams, Ian Duncan; Guo, Xugang; Li, Yongfang; Yan, He","Medium Band-Gap Non-fullerene Acceptors Based on Benzothiophene Donor Moiety Enabling High-Performance Indoor Organic Photovoltaics","Energy & Environmental Science","2021","","","","","10.1039/D1EE00687H","","x-ray","1.54184","CuKα","","0.0564","0.0516","","","0.1569","0.1648","","","","","","1.032","","","","has coordinates,has disorder","267418","2021-07-09","02:02:12",""
"1564399","13.9722","0.0007","17.5232","0.0008","19.1562","0.0009","94.993","0.004","108.44","0.004","91.696","0.004","4424.4","0.4","149.98","0.1","149.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H37 Br2 N S3 -","- C29 H37 Br2 N S3 -","- C174 H222 Br12 N6 S18 -","6","3","","Yuan, Xiyue; Zhao, Yunli; Zhan, Tao; Oh, Jiyeon; Zhou, Jiadong; Li, Junyu; Wang, Xiaojing; Wang, Zhiqiang; Pang, Shuting; Cai, Ping; Yang, Changduk; He, Zhicai; Xie, Zengqi; Duan, Chunhui; Huang, Fei; Cao, Yong","A donor polymer based on 3-cyanothiophene with superior batch-to-batch reproducibility for high-efficiency organic solar cells","Energy & Environmental Science","2021","14","10","5530","5540","10.1039/D1EE01957K","","x-ray","1.54184","CuKα","","0.1726","0.0857","","","0.2003","0.2572","","","","","","0.948","","","","has coordinates","270451","2021-11-06","20:10:12",""
"1564845","26.5046","0.001","23.0448","0.0011","31.2654","0.0018","90","","107.646","0.005","90","","18198.1","1.6","99.97","0.12","99.97","0.12","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C90 H102 Cl2 F2 N8 O2 S5 -","- C90 H102 Cl2 F2 N8 O2 S5 -","- C720 H816 Cl16 F16 N64 O16 S40 -","8","1","","Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang","Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency","Energy & Environmental Science","2022","15","1","320","333","10.1039/D1EE01832A","","x-ray","1.54184","CuKα","","0.214","0.1481","","","0.3777","0.4448","","","","","","1.022","","","","has coordinates,has disorder","272701","2022-02-04","19:50:41",""
"1564846","26.7059","0.0007","23.0515","0.0007","31.3331","0.0011","90","","107.898","0.003","90","","18355.5","1","169.99","0.12","169.99","0.12","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C90 H102 Br2 F2 N8 O2 S5 -","- C90 H102 Br2 F2 N8 O2 S5 -","- C720 H816 Br16 F16 N64 O16 S40 -","8","1","","Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang","Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency","Energy & Environmental Science","2022","15","1","320","333","10.1039/D1EE01832A","","x-ray","1.54184","CuKα","","0.1987","0.1623","","","0.4128","0.4474","","","","","","1.063","","","","has coordinates,has disorder","272701","2022-02-04","19:50:41",""
"1564847","16.0896","0.0006","17.7032","0.0004","17.9514","0.0005","107.551","0.002","114.327","0.003","90.288","0.002","4392.9","0.3","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C90 H102 Br2 Cl2 N8 O2 S5 -","- C90 H102 Br2 Cl2 N8 O2 S5 -","- C180 H204 Br4 Cl4 N16 O4 S10 -","2","1","","Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang","Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency","Energy & Environmental Science","2022","15","1","320","333","10.1039/D1EE01832A","","x-ray","1.54184","CuKα","","0.1553","0.1141","","","0.2918","0.3188","","","","","","0.89","","","","has coordinates,has disorder","272701","2022-02-04","19:50:41",""
"1565981","16.0665","0.0019","17.2536","0.001","17.4364","0.001","111.025","0.006","94.188","0.007","96.672","0.008","4446.7","0.7","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C100 H108 F6 N8 O2 S5 -","- C100 H108 F6 N8 O2 S5 -","- C200 H216 F12 N16 O4 S10 -","2","1","","Li, Guoping; Feng, Liang-Wen; Mukherjee, Subhrangsu; Jones, Leighton O.; Jacobberger, Robert M.; Huang, Wei; Young, Ryan M.; Pankow, Robert M.; Zhu, Weigang; Lu, Norman; Kohlstedt, Kevin L.; Sangwan, Vinod K.; Wasielewski, Michael R.; Hersam, Mark C.; Schatz, George C.; DeLongchamp, Dean M.; Facchetti, Antonio; Marks, Tobin J.","Non-fullerene acceptors with direct and indirect hexa-fluorination afford >17% efficiency in polymer solar cells","Energy & Environmental Science","2022","15","2","645","659","10.1039/D1EE03225A","","x-ray","1.54184","CuKα","","0.2145","0.1329","","","0.3599","0.405","","","","","","1.369","","","","has coordinates,has disorder","273375","2022-03-04","22:16:17",""
"1565982","24.0563","0.0004","25.5964","0.0004","43.2943","0.0007","90","","93.25","0.001","90","","26615.8","0.7","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C98 H102 F6 N8 O2 S5 -","- C98 H102 F6 N8 O2 S5 -","- C980 H1020 F60 N80 O20 S50 -","10","2.5","","Li, Guoping; Feng, Liang-Wen; Mukherjee, Subhrangsu; Jones, Leighton O.; Jacobberger, Robert M.; Huang, Wei; Young, Ryan M.; Pankow, Robert M.; Zhu, Weigang; Lu, Norman; Kohlstedt, Kevin L.; Sangwan, Vinod K.; Wasielewski, Michael R.; Hersam, Mark C.; Schatz, George C.; DeLongchamp, Dean M.; Facchetti, Antonio; Marks, Tobin J.","Non-fullerene acceptors with direct and indirect hexa-fluorination afford >17% efficiency in polymer solar cells","Energy & Environmental Science","2022","15","2","645","659","10.1039/D1EE03225A","","x-ray","1.54184","CuKα","","0.2087","0.1694","","","0.4542","0.4809","","","","","","1.783","","","","has coordinates,has disorder","273375","2022-03-04","22:16:17",""
"1566632","14.2538","0.0006","17.1903","0.0007","17.3592","0.0007","79.038","0.002","72.546","0.002","68.828","0.002","3767.7","0.3","150","2","150","","","","","","","","","4","P -1","-P 1","2","","TBPC-611","","- C78 H78 N6 O3 -","- C78 H78 N6 O3 -","- C156 H156 N12 O6 -","2","1","","Fang, Lingyi; Zhang, Yuyan; Ren, Ming; Xie, Xinrui; Li, Tianyu; Yuan, Yi; Zhang, Jing; Wang, Peng","A triple helicene based molecular semiconductor characteristic of a fully fused conjugated backbone for perovskite solar cells","Energy & Environmental Science","2022","15","4","1630","1637","10.1039/D1EE02843J","","","1.34138","GaKα","","0.1545","0.0949","","","0.2951","0.3382","","","","","","1.13","","","","has coordinates,has disorder","274981","2022-05-05","20:35:51",""
"1566850","6.4503","0.0002","15.415","0.0005","22.904","0.0008","90","","90","","90","","2277.38","0.13","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H18 Al F9 O18 S3 -","- C3 H18 Al F9 O18 S3 -","- C12 H72 Al4 F36 O72 S12 -","4","1","","Pastel, Glenn R.; Chen, Ying; Pollard, Travis P.; Schroeder, Marshall A.; Bowden, Mark E.; Zheng, Allen; Hahn, Nathan T.; Ma, Lin; Murugesan, Vijayakumar; Ho, Janet; Garaga, Mounesha; Borodin, Oleg; Mueller, Karl; Greenbaum, Steven; Xu, Kang","A sobering examination of the feasibility of aqueous aluminum batteries","Energy & Environmental Science","2022","15","6","2460","2469","10.1039/D2EE00134A","","","0.71073","MoKα","","0.0677","0.0563","","","0.1304","0.1422","","","","","","1.0159","","","","has coordinates","276623","2022-07-06","08:11:57",""
"1567342","15.4157","0.0017","17.5066","0.0017","19.617","0.002","95.374","0.006","102.99","0.007","104.699","0.006","4925.7","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H120 Cl6 N8 O2 S4 -","- C104 H120 Cl6 N8 O2 S4 -","- C208 H240 Cl12 N16 O4 S8 -","2","1","","Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng","Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells","Energy & Environmental Science","2022","15","8","3519","3533","10.1039/D2EE01340A","","","1.34139","GaKα","","0.284","0.1337","","","0.2936","0.3449","","","","","","1.346","","","","has coordinates,has disorder","277666","2022-09-06","10:03:26",""
"1567343","17.222","0.004","59.388","0.013","19.162","0.005","90","","98.29","0.012","90","","19394","8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H120 F6 N8 O2 S4 -","- C104 H120 F6 N8 O2 S4 -","- C832 H960 F48 N64 O16 S32 -","8","2","","Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng","Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells","Energy & Environmental Science","2022","15","8","3519","3533","10.1039/D2EE01340A","","","1.34139","GaKα","","0.2766","0.1929","","","0.3973","0.4267","","","","","","1.029","","","","has coordinates","277666","2022-09-06","10:03:37",""
"1567344","41.303","0.004","41.303","0.004","32.517","0.004","90","","90","","120","","48040","9","173","","173","","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C104 H120 Cl4 F2 N8 O2 S4 -","- C104 H120 Cl4 F2 N8 O2 S4 -","- C1872 H2160 Cl72 F36 N144 O36 S72 -","18","1","","Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng","Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells","Energy & Environmental Science","2022","15","8","3519","3533","10.1039/D2EE01340A","","x-ray","1.34139","GaKα","","0.1728","0.0932","","","0.2468","0.3145","","","","","","0.93","","","","has coordinates","277666","2022-09-06","10:03:40",""
"1567503","8.1943","0.0004","21.1329","0.0009","16.5436","0.0006","90","","90","","90","","2864.8","0.2","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H22 Cl2 N8 O8 Ru -","- C26 H22 Cl2 N8 O8 Ru -","- C104 H88 Cl8 N32 O32 Ru4 -","4","0.5","","Pokhrel, Indira; Reddy, Guda Dinneswara; Kwon, Taejin; Choi, Eungyeong; Chun, Yu Sung; Lee, Sang Tak; Sung, Bong June; Lee, Duck Hyung; Bin Oh, Han; Yoon, Kyung Byung","Insights into the directions to increase turnover frequency and turnover number during photochemical water oxidation with molecular Ru catalysts","Energy & Environmental Science","2022","15","10","4259","4288","10.1039/D2EE01128J","","","0.71073","MoKα","","0.0732","0.0622","","","0.1665","0.2083","","","","","","1.129","","","","has coordinates","278984","2022-11-07","05:24:27",""
"1567504","17.8962","0.0005","10.2796","0.0003","15.9597","0.0005","90","","90.899","0.001","90","","2935.68","0.15","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cl2 N10 O8 Ru -","- C24 H24 Cl2 N10 O8 Ru -","- C96 H96 Cl8 N40 O32 Ru4 -","4","0.5","","Pokhrel, Indira; Reddy, Guda Dinneswara; Kwon, Taejin; Choi, Eungyeong; Chun, Yu Sung; Lee, Sang Tak; Sung, Bong June; Lee, Duck Hyung; Bin Oh, Han; Yoon, Kyung Byung","Insights into the directions to increase turnover frequency and turnover number during photochemical water oxidation with molecular Ru catalysts","Energy & Environmental Science","2022","15","10","4259","4288","10.1039/D2EE01128J","","","0.71073","MoKα","","0.0413","0.0366","","","0.1199","0.1283","","","","","","1.141","","","","has coordinates","278984","2022-11-07","05:24:28",""
"1567505","8.2606","0.0004","10.798","0.0005","20.5518","0.001","77.5866","0.0017","84.0528","0.0019","84.8406","0.0018","1776.36","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 F12 N9 P2 Ru -","- C30 H29 F12 N9 P2 Ru -","- C60 H58 F24 N18 P4 Ru2 -","2","1","","Pokhrel, Indira; Reddy, Guda Dinneswara; Kwon, Taejin; Choi, Eungyeong; Chun, Yu Sung; Lee, Sang Tak; Sung, Bong June; Lee, Duck Hyung; Bin Oh, Han; Yoon, Kyung Byung","Insights into the directions to increase turnover frequency and turnover number during photochemical water oxidation with molecular Ru catalysts","Energy & Environmental Science","2022","15","10","4259","4288","10.1039/D2EE01128J","","","0.71073","MoKα","","0.0549","0.0383","","","0.0796","0.0875","","","","","","1.066","","","","has coordinates,has disorder","278984","2022-11-07","05:24:28",""
"1567669","23.7933","0.0013","57.27","0.003","13.4957","0.0007","90","","109.688","0.002","90","","17314.8","1.6","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H44 F4 N8 O3 S5 -","- C74 H40 F4 N8 O3 S5 -","- C592 H320 F32 N64 O24 S40 -","8","1","","Luo, Zhenghui; Gao, Yuan; Lai, Hanjian; Li, Yuxiang; Wu, Ziang; Chen, Zhanxiang; Sun, Rui; Ren, Jiaqi; Zhang, Cai’e; He, Feng; Woo, HanYoung; Min, Jie; Yang, Chuluo","Asymmetric side-chain substitution enables a 3D network acceptor with hydrogen bond assisted crystal packing and enhanced electronic coupling for efficient organic solar cells","Energy & Environmental Science","2022","15","11","4601","4611","10.1039/D2EE01848A","","","1.54178","CuKα","","0.1304","0.1201","","","0.3265","0.3405","","","","","","1.066","","","","has coordinates","280173","2023-01-06","09:40:00",""
"1567670","13.457","0.002","23.14","0.004","30.127","0.005","70.475","0.007","86.756","0.007","80.476","0.007","8720","2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 F0.5 N16 O4.5 S5 -","- C60.5 H10 F4 N8 O2 S5 -","- C242 H40 F16 N32 O8 S20 -","4","2","","Luo, Zhenghui; Gao, Yuan; Lai, Hanjian; Li, Yuxiang; Wu, Ziang; Chen, Zhanxiang; Sun, Rui; Ren, Jiaqi; Zhang, Cai’e; He, Feng; Woo, HanYoung; Min, Jie; Yang, Chuluo","Asymmetric side-chain substitution enables a 3D network acceptor with hydrogen bond assisted crystal packing and enhanced electronic coupling for efficient organic solar cells","Energy & Environmental Science","2022","15","11","4601","4611","10.1039/D2EE01848A","","","1.54178","CuKα","","0.2085","0.1764","","","0.4153","0.448","","","","","","0.899","","","","has coordinates","280173","2023-01-06","09:40:00",""
"1568456","8.7612","0.0011","13.2409","0.0016","17.624","0.002","93.211","0.006","98.646","0.006","97.221","0.006","1999.4","0.4","100","2","100","","","","","","","","","6","P -1","-P 1","2","","ITIC-Th","","- C88 H78 Br4 N4 O2 S8 -","- C88 H78 Br4 N4 O2 S8 -","- C88 H78 Br4 N4 O2 S8 -","1","0.5","","Zhu, Weigang; Li, Guoping; Mukherjee, Subhrangsu; Powers-Riggs, Natalia E.; Jones, Leighton O.; Gann, Eliot; Kline, R. Joseph; Herzing, Andrew; Logsdon, Jenna L.; Flagg, Lucas; Stern, Charlotte L.; Young, Ryan M.; Kohlstedt, Kevin L.; Schatz, George C.; DeLongchamp, Dean M.; Wasielewski, Michael R.; Melkonyan, Ferdinand S.; Facchetti, Antonio; Marks, Tobin J.","Quantitative relationships between film morphology, charge carrier dynamics, and photovoltaic performance in bulk-heterojunction binary vs. ternary acceptor blends","Energy & Environmental Science","2023","16","3","1234","1250","10.1039/D2EE03883H","","","1.54178","CuKα","","0.041","0.0375","","","0.1002","0.1024","","","","","","1.05","","","","has coordinates","282340","2023-04-04","10:18:59",""
"1568932","27.159","0.0012","21.1739","0.0009","23.6358","0.001","90","","95.848","0.004","90","","13521.3","1","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- H76 Li14 Na O148 P5 W30 -","- Na O125.6 P5 W30 -","- Na4 O502.4 P20 W120 -","4","0.5","","Zhao, Tingting; Bell, Nicola L.; Chisholm, Greig; Kandasamy, Balamurugan; Long, De-Liang; Cronin, Leroy","Aqueous solutions of super reduced polyoxotungstates as electron storage systems.","Energy & environmental science","2023","16","6","2603","2610","10.1039/d3ee00569k","","","0.71073","MoKα","","0.0908","0.0809","","","0.2189","0.2268","","","","","","1.063","","","","has coordinates","284925","2023-07-05","10:21:54",""
"1569354","24.3943","0.0008","14.1219","0.0004","29.0635","0.0008","90","","103.837","0.003","90","","9721.6","0.5","180","0.1","180","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Qx-m-4F","","- C104 H110 F6 N8 O2 S4 -","- C105 H111 Cl3 F6 N8 O2 S4 -","- C420 H444 Cl12 F24 N32 O8 S16 -","4","1","","Xie, Meiling; Shi, Yanan; Zhu, Lingyun; Zhang, Jianqi; Cheng, Qian; Zhang, Hao; Yan, Yangjun; Zhu, Mingquan; Zhou, Huiqiong; Lu, Kun; Wei, Zhixiang","Selective halogenation of central and end-units of nonfullerene acceptors enables enhanced molecular packing and photovoltaic performance","Energy & Environmental Science","2023","16","8","3543","3551","10.1039/D3EE01333B","","x-ray","0.71073","MoKα","","0.1044","0.0812","","","0.2083","0.2236","","","","","","1.061","","","","has coordinates,has disorder","286128","2023-09-05","19:53:10",""
"1569355","22.0344","0.0004","27.1704","0.0004","38.5671","0.0007","90","","98.0928","0.0017","90","","22859.5","0.7","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Qx-o-4F","","- C104 H110 F6 N8 O2 S4 -","- C105.154 H111.154 Cl3.462 F6 N8 O2 S4 -","- C841.232 H889.232 Cl27.696 F48 N64 O16 S32 -","8","2","","Xie, Meiling; Shi, Yanan; Zhu, Lingyun; Zhang, Jianqi; Cheng, Qian; Zhang, Hao; Yan, Yangjun; Zhu, Mingquan; Zhou, Huiqiong; Lu, Kun; Wei, Zhixiang","Selective halogenation of central and end-units of nonfullerene acceptors enables enhanced molecular packing and photovoltaic performance","Energy & Environmental Science","2023","16","8","3543","3551","10.1039/D3EE01333B","","x-ray","0.71073","MoKα","","0.1246","0.1023","","","0.2314","0.243","","","","","","1.088","","","","has coordinates,has disorder","286128","2023-09-05","19:53:11",""
"1569909","19.8544","0.0009","19.8544","0.0009","16.6635","0.0011","90","","90","","120","","5688.7","0.5","170","","170","","","","","","","","","3","P -3","-P 3","147","","","","- C39 H27 N3 -","- C39 H27 N3 -","- C312 H216 N24 -","8","1.33333","","Fang, Lingyi; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Wei, Yuefang; Yuan, Yi; Wang, Peng","Solution-processable organic semiconductors with over 220 °C glass transition temperature: manipulating morphology using a helical polycyclic heteroaromatic motif","Energy & Environmental Science","2023","16","11","5231","5242","10.1039/D3EE02601A","","","1.34139","GaKα","","0.151","0.0927","","","0.2314","0.263","","","","","","1.024","","","","has coordinates","288812","2024-01-06","08:18:03",""
"1569910","18.0704","0.0006","18.0704","0.0006","16.2498","0.0007","90","","90","","120","","4595.3","0.3","170","","170","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39 H27 N3 -","- C39 H27 N3 -","- C234 H162 N18 -","6","0.333333","","Fang, Lingyi; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Wei, Yuefang; Yuan, Yi; Wang, Peng","Solution-processable organic semiconductors with over 220 °C glass transition temperature: manipulating morphology using a helical polycyclic heteroaromatic motif","Energy & Environmental Science","2023","16","11","5231","5242","10.1039/D3EE02601A","","","0.71073","MoKα","","0.0575","0.0469","","","0.1229","0.1302","","","","","","1.058","","","","has coordinates","288812","2024-01-06","08:18:04",""
"1569911","13.117","0.0003","53.4561","0.0012","12.9832","0.0003","90","","113.512","0.001","90","","8347.8","0.3","170","2","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H57 N3 -","- C54 H57 N3 -","- C432 H456 N24 -","8","2","","Fang, Lingyi; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Wei, Yuefang; Yuan, Yi; Wang, Peng","Solution-processable organic semiconductors with over 220 °C glass transition temperature: manipulating morphology using a helical polycyclic heteroaromatic motif","Energy & Environmental Science","2023","16","11","5231","5242","10.1039/D3EE02601A","","","0.71073","MoKα","","0.1043","0.0815","","","0.2194","0.2416","","","","","","1.021","","","","has coordinates,has disorder","288812","2024-01-06","08:18:04",""
"1570145","8.7351","0.0007","19.5191","0.0017","26.799","0.002","90","","97.543","0.008","90","","4529.7","0.6","150","2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C112 H72 Cl4 N4 O2 S4 -","- C98 H58 Cl4 N4 O2 S4 -","- C196 H116 Cl8 N8 O4 S8 -","2","0.5","","Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng","Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%","Energy & Environmental Science","2023","16","12","5944","5955","10.1039/D3EE01690K","","","1.54184","CuKα","","0.3004","0.162","","","0.3196","0.4253","","","","","","0.867","","","","has coordinates","288813","2024-01-06","08:18:38",""
"1570146","24.082","0.002","57.855","0.006","13.8091","0.0011","90","","104.745","0.004","90","","18606","3","100","","103","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62.5 H28 Br Cl4 N8 O3 S5 -","- C62.5 H28 Br Cl4 N8 O3 S5 -","- C500 H224 Br8 Cl32 N64 O24 S40 -","8","1","","Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng","Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%","Energy & Environmental Science","2023","16","12","5944","5955","10.1039/D3EE01690K","","","1.54178","CuKα","","0.2127","0.1834","","","0.4215","0.4439","","","","","","0.888","","","","has coordinates","288813","2024-01-06","08:18:44",""
"1570147","26.6758","0.0017","22.3323","0.0015","29.799","0.002","90","","105.664","0.003","90","","17093","2","102","2","102","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H28 Cl4 N8 O2 S5 -","- C62 H28 Cl4 N8 O2 S5 -","- C496 H224 Cl32 N64 O16 S40 -","8","1","","Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng","Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%","Energy & Environmental Science","2023","16","12","5944","5955","10.1039/D3EE01690K","","","1.54178","CuKα","","0.1593","0.1394","","","0.3733","0.3904","","","","","","1.06","","","","has coordinates","288813","2024-01-06","08:18:55",""
"1570148","11.4138","0.0019","18.519","0.004","20.916","0.003","97.168","0.011","104.322","0.009","107.723","0.008","3983.3","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H56 Cl4 N8 O3 S5 -","- C77 H56 Cl4 N8 O3 S5 -","- C154 H112 Cl8 N16 O6 S10 -","2","1","","Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng","Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%","Energy & Environmental Science","2023","16","12","5944","5955","10.1039/D3EE01690K","","","1.34139","GaKα","","0.194","0.1532","","","0.3562","0.3802","","","","","","0.98","","","","has coordinates","288813","2024-01-06","08:18:58",""
"1570149","24.068","0.005","59.021","0.012","13.648","0.003","90","","101.855","0.009","90","","18974","7","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60.83 H25.65 Br1.67 Cl4 N8 O2 S5 -","- C59.8333 H23.6146 Br1.6666 Cl4 N8 O2 S5 -","- C478.666 H188.917 Br13.3328 Cl32 N64 O16 S40 -","8","1","","Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng","Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%","Energy & Environmental Science","2023","16","12","5944","5955","10.1039/D3EE01690K","","","1.34139","GaKα","","0.2202","0.1901","","","0.4027","0.4162","","","","","","0.985","","","","has coordinates,has disorder","288813","2024-01-06","08:19:09",""
"1570150","12.5553","0.0004","14.6952","0.0004","16.332","0.0005","82.201","0.001","85.712","0.001","75.234","0.001","2884.29","0.15","170","2","170","","","","","","","","","7","P -1","-P 1","2","","","","- C116 H154 F2 N2 O4 S12 Si2 -","- C116 H154 F2 N2 O4 S12 Si2 -","- C116 H154 F2 N2 O4 S12 Si2 -","1","0.5","","Xu, Tongle; Lv, Jie; Zheng, Daming; Luo, Zhenghui; Jee, Min Hun; Ran, Guangliu; Chen, Zhanxiang; Huang, Zhongyan; Ren, Jiaqi; Li, Yuxiang; Zhang, Cai’e; Hu, Hanlin; Pauporté, Thierry; Zhang, Wenkai; Woo, Han Young; Yang, Chuluo","Regulating the reorganization energy and crystal packing of small-molecule donors enables the high performance of binary all-small-molecule organic solar cells with a slow film growth rate","Energy & Environmental Science","2023","16","12","5933","5943","10.1039/D3EE02129G","","","0.71073","MoKα","","0.0641","0.0507","","","0.135","0.148","","","","","","1.01","","","","has coordinates,has disorder","288814","2024-01-06","08:19:18",""
"1570151","9.8191","0.0003","14.0215","0.0005","20.6969","0.0007","76.135","0.001","82.232","0.001","80.174","0.001","2712.64","0.16","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H140 Cl2 N2 O2 S12 Si2 -","- C108 H138 Cl2 N2 O2 S12 Si2 -","- C108 H138 Cl2 N2 O2 S12 Si2 -","1","0.5","","Xu, Tongle; Lv, Jie; Zheng, Daming; Luo, Zhenghui; Jee, Min Hun; Ran, Guangliu; Chen, Zhanxiang; Huang, Zhongyan; Ren, Jiaqi; Li, Yuxiang; Zhang, Cai’e; Hu, Hanlin; Pauporté, Thierry; Zhang, Wenkai; Woo, Han Young; Yang, Chuluo","Regulating the reorganization energy and crystal packing of small-molecule donors enables the high performance of binary all-small-molecule organic solar cells with a slow film growth rate","Energy & Environmental Science","2023","16","12","5933","5943","10.1039/D3EE02129G","","","1.34139","GaKα","","0.0542","0.0508","","","0.1466","0.1501","","","","","","1.024","","","","has coordinates,has disorder","288814","2024-01-06","08:19:18",""
"1570432","9.611","0.002","15.13","0.003","21.533","0.005","91.969","0.008","96.72","0.009","101.57","0.009","3041.1","1.1","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H85.6 F12 Mg N14 O8 S4 -","- C34 H85.6 F12 Mg N14 O8 S4 -","- C68 H171.2 F24 Mg2 N28 O16 S8 -","2","1","","Wang, Min; Sun, Wenhao; Zhang, Kun; Zhang, Zhonghua; Du, Aobing; Dong, Shanmu; Zhang, Jinlei; Liu, Jing; Chen, Xi; Zhou, Zhenfang; Li, Fujun; Li, Zhenjiang; Li, Guicun; Cui, Guanglei","Synergy between the coordination and trace ionization of co-solvents enables reversible magnesium electroplating/stripping behavior","Energy & Environmental Science","2024","17","2","630","641","10.1039/D3EE02450D","","","0.71073","MoKα","","0.1099","0.064","","","0.1495","0.1746","","","","","","1.042","","","","has coordinates,has disorder","289562","2024-02-04","12:15:58",""
"1571635","10.7079","0.0001","19.7519","0.0002","21.8828","0.0002","75.619","0.001","85.37","0.001","82.816","0.001","4442.08","0.08","169.98","0.1","169.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C94 H78 Cl12 N4 O2 S4 -","- C94 H78 Cl12 N4 O2 S4 -","- C188 H156 Cl24 N8 O4 S8 -","2","1","","Wang, Jianxiao; Li, Yonghai; Han, Chenyu; Chen, Liangliang; Bi, Fuzhen; Hu, Zunyuan; Yang, Chunming; Bao, Xichang; Chu, Junhao","19% Efficiency All-Polymer Solar Cells via Introducing Pincer-Shaped Non-covalent Bond Interactions","Energy & Environmental Science","2024","","","","","10.1039/D4EE01117A","","x-ray","1.54184","CuKα","","0.0522","0.0461","","","0.1235","0.1286","","","","","","1.062","","","","has coordinates,has disorder","291852","2024-05-14","23:11:31",""
"1571803","20.4033","0.0009","7.8689","0.0003","25.4607","0.0012","90","","91.45","0.002","90","","4086.4","0.3","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H74 F6 N4 O6 S6 -","- C84 H74 F6 N4 O6 S6 -","- C168 H148 F12 N8 O12 S12 -","2","0.5","","Ye, Shounuan; Chen, Tianyi; Yu, Jinyang; Wang, Shanlu; Li, Shuixing; Wang, Jingxi; Fu, Yuang; Zhu, Yuxuan; Wang, Mengting; Lu, Xinhui; Ma, Zaifei; Li, Chang-Zhi; Shi, Minmin; Chen, Hongzheng","Enhanced crystal network and charge transfer of non-fused ring electron acceptor via interchain interaction enable efficient and stable organic solar cells","Energy & Environmental Science","2024","","","","","10.1039/D4EE02027H","","","1.54178","CuKα","","0.0877","0.0821","","","0.2414","0.2464","","","","","","1.05","","","","has coordinates,has disorder","292266","2024-06-07","23:11:18",""
"1571804","15.606","0.003","16.678","0.003","18.394","0.003","63.176","0.011","69.39","0.014","69.98","0.015","3901.2","1.3","170","2","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H80 F4 N4 O6 S6 -","- C86 H80 F4 N4 O6 S6 -","- C172 H160 F8 N8 O12 S12 -","2","1","","Ye, Shounuan; Chen, Tianyi; Yu, Jinyang; Wang, Shanlu; Li, Shuixing; Wang, Jingxi; Fu, Yuang; Zhu, Yuxuan; Wang, Mengting; Lu, Xinhui; Ma, Zaifei; Li, Chang-Zhi; Shi, Minmin; Chen, Hongzheng","Enhanced crystal network and charge transfer of non-fused ring electron acceptor via interchain interaction enable efficient and stable organic solar cells","Energy & Environmental Science","2024","","","","","10.1039/D4EE02027H","","","1.54178","CuKα","","0.2701","0.18","","","0.413","0.4989","","","","","","1.06","","","","has coordinates","292266","2024-06-07","23:11:19",""
"1571805","15.5739","0.0012","18.8499","0.0015","20.1648","0.0013","98.961","0.005","96.362","0.004","98.914","0.005","5721.3","0.7","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C126 H113 F6 N6 O9 S9 -","- C126 H113 F6 N6 O9 S9 -","- C252 H226 F12 N12 O18 S18 -","2","1","","Ye, Shounuan; Chen, Tianyi; Yu, Jinyang; Wang, Shanlu; Li, Shuixing; Wang, Jingxi; Fu, Yuang; Zhu, Yuxuan; Wang, Mengting; Lu, Xinhui; Ma, Zaifei; Li, Chang-Zhi; Shi, Minmin; Chen, Hongzheng","Enhanced crystal network and charge transfer of non-fused ring electron acceptor via interchain interaction enable efficient and stable organic solar cells","Energy & Environmental Science","2024","","","","","10.1039/D4EE02027H","","","1.54178","CuKα","","0.2413","0.1847","","","0.4266","0.4694","","","","","","1.204","","","","has coordinates","292266","2024-06-07","23:11:19",""