# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T19:53:41+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 'The journal of physical chemistry letters') 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
"1561273","20.9774","0.0011","10.1284","0.0005","14.5479","0.0007","90","","99.752","0.002","90","","3046.3","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Cl7 In N4 O0 S4 -","- C16 H40 Cl7 In N4 S4 -","- C64 H160 Cl28 In4 N16 S16 -","4","0.5","","Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning","Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid.","The journal of physical chemistry letters","2021","","","3288","3294","10.1021/acs.jpclett.1c00418","","","0.71073","MoKα","","0.0146","0.0141","","","0.0338","0.0341","","","","","","1.053","","","","has coordinates","263602","2021-04-04","10:03:37",""
"1561274","11.7611","0.0006","12.5257","0.0006","15.0163","0.0008","90","","96.853","0.002","90","","2196.34","0.19","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H27 Cl5 In N2 O S2 -","- C12 H27 Cl5 In N2 O S2 -","- C48 H108 Cl20 In4 N8 O4 S8 -","4","1","","Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning","Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid.","The journal of physical chemistry letters","2021","","","3288","3294","10.1021/acs.jpclett.1c00418","","","0.71073","MoKα","","0.0206","0.019","","","0.0484","0.0495","","","","","","1.063","","","","has coordinates","263602","2021-04-04","10:03:37",""
"1561275","7.7233","0.0004","11.6526","0.0007","15.1865","0.0008","82.98","0.002","87.09","0.002","88.651","0.003","1354.53","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H36 Cl6 In N3 O S3 -","- C14 H36 Cl6 In N3 O S3 -","- C28 H72 Cl12 In2 N6 O2 S6 -","2","1","","Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning","Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid.","The journal of physical chemistry letters","2021","","","3288","3294","10.1021/acs.jpclett.1c00418","","","0.71073","MoKα","","0.0398","0.0361","","","0.0842","0.0864","","","","","","1.071","","","","has coordinates","263602","2021-04-04","10:03:37",""
"1561276","21.0254","0.0018","10.1582","0.0008","14.5931","0.0011","90","","99.846","0.003","90","","3070.9","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Cl7 In0.93 N4 S4 Sb0.07 -","- C16 H40 Cl7 In0.93 N4 S4 Sb0.07 -","- C64 H160 Cl28 In3.72 N16 S16 Sb0.28 -","4","0.5","","Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning","Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid.","The journal of physical chemistry letters","2021","","","3288","3294","10.1021/acs.jpclett.1c00418","","","0.71073","MoKα","","0.0153","0.0147","","","0.0373","0.0377","","","","","","1.008","","","","has coordinates,has disorder","263602","2021-04-04","10:03:37",""
"8000074","5.9686","0.0001","13.7161","0.0004","22.6208","0.0006","90","","90","","90","","1851.87","0.08","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C23 H16 O2 S2 -","- C23 H16 O2 S2 -","- C92 H64 O8 S8 -","4","0.5","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0571","0.0433","","","0.1125","0.1212","","","","","","1.06","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000075","16.9741","0.0004","6.496","0.0002","7.1152","0.0002","90","","91.0088","0.0013","90","","784.43","0.04","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C21 H12 O S2 -","- C21 H12 O S2 -","- C42 H24 O2 S4 -","2","0.5","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0315","0.0292","","","0.0769","0.0786","","","","","","1.067","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000076","14.8678","0.0004","7.5297","0.0001","16.9934","0.0005","90","","95.7169","0.0012","90","","1892.95","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 N2 S2 -","- C24 H12 N2 S2 -","- C96 H48 N8 S8 -","4","1","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0531","0.0368","","","0.0848","0.0933","","","","","","1.027","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000077","8.8519","0.0002","9.6987","0.0002","13.1288","0.0003","70.3916","0.001","78.2754","0.0013","82.4345","0.0013","1037.15","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H6 F10 O2 S2 -","- C23 H6 F10 O2 S2 -","- C46 H12 F20 O4 S4 -","2","1","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0751","0.066","","","0.188","0.1919","","","","","","1.137","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000078","16.8693","0.0005","7.6992","0.0002","32.7451","0.0009","90","","96.783","0.0012","90","","4223.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H2 F10 N2 S2 -","- C24 H2 F10 N2 S2 -","- C192 H16 F80 N16 S16 -","8","2","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.1085","0.0523","","","0.0883","0.1035","","","","","","1.004","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000079","8.3262","0.0003","9.9514","0.0004","12.7866","0.0005","112.274","0.002","99.195","0.002","91.288","0.003","963.8","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H11 F5 O2 S2 -","- C23 H11 F5 O2 S2 -","- C46 H22 F10 O4 S4 -","2","1","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0598","0.0386","","","0.0893","0.0988","","","","","","1.095","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000080","6.2952","0.0013","13.29","0.003","17.297","0.004","90","","101.4","0.03","90","","1418.6","0.6","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C33 H30 F6 N2 -","- C33 H30 F6 N2 -","- C66 H60 F12 N4 -","2","1","","Dou, Chuandong; Han, Liang; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue","Multi-Stimuli-Responsive Fluorescence Switching of a Donor−Acceptor π-Conjugated Compound","The Journal of Physical Chemistry Letters","2011","2","6","666","","10.1021/jz200140c","","","0.71073","MoKα","","0.2184","0.0909","","","0.2118","0.2745","","","","","","0.993","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000081","10.6905","0.0004","10.6905","0.0004","12.9823","0.0004","90","","90","","90","","1483.71","0.09","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H15 N4 O6 -","- C13 H15 N4 O6 -","- C52 H60 N16 O24 -","4","1","","Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji","An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals","The Journal of Physical Chemistry Letters","2011","2","24","3036","","10.1021/jz2014105","","","1.54178","CuKα","","0.0388","0.0384","","","0.0898","0.0905","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8000082","10.6835","0.0003","10.6835","0.0003","12.9899","0.0004","90","","90","","90","","1482.63","0.07","296","2","296","2","","","","","","","","4","P 43","P 4cw","78","","","","- C13 H15 N4 O6 -","- C13 H15 N4 O6 -","- C52 H60 N16 O24 -","4","1","","Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji","An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals","The Journal of Physical Chemistry Letters","2011","2","24","3036","","10.1021/jz2014105","","","1.54178","CuKα","","0.0432","0.0417","","","0.096","0.0976","","","","","","1.141","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000083","5.2307","0.0001","9.6701","0.0002","15.5374","0.0003","90","","98.565","0.002","90","","777.14","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C40 H28 N4 O12 -","4","1","","Tang, Kuo-Chun; Chen, Chyi-Lin; Chuang, Hsiao-Han; Chen, Jien-Lian; Chen, Yi-Ju; Lin, Yi-Chih; Shen, Jiun-Yi; Hu, Wei-Ping; Chou, Pi-Tai","A Genuine Intramolecular Proton Relay System Undergoing Excited-State Double Proton Transfer Reaction","The Journal of Physical Chemistry Letters","2011","2","24","3063","","10.1021/jz201439w","","","1.54178","CuKα","","0.045","0.0413","","","0.1099","0.1145","","","","","","1.072","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000197","16.191","0.007","17.244","0.007","18.613","0.007","105.871","0.012","106.252","0.013","90.74","0.02","4776","3","100","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C144 H162 Ag6.66 Au18.34 S18 -","- C144 H162 Ag6.658 Au18.342 S18 -","- C144 H162 Ag6.658 Au18.342 S18 -","1","0.5","","Kumara, Chanaka; Aikens, Christine M.; Dass, Amala","X-ray Crystal Structure and Theoretical Analysis of Au25‒xAgx(SCH2CH2Ph)18‒Alloy","The Journal of Physical Chemistry Letters","2014","5","3","461","","10.1021/jz402441d","","x-ray","0.71073","MoKα","K-L~3~","0.072","0.0411","","","0.0934","0.1065","","","","","","0.964","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000198","8.761","0.002","16.167","0.005","9.689","0.003","90","","108.314","0.004","90","","1302.8","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12.8 N4 O1.4 -","- C14 H12.8 N4 O1.4 -","- C56 H51.2 N16 O5.6 -","4","1","","Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei","Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N‒H···N Hydrogen Bond","The Journal of Physical Chemistry Letters","2014","5","1","92","","10.1021/jz402280w","","","0.71073","MoKα","","0.0658","0.0497","","","0.1234","0.133","","","","","","1.042","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000199","7.5326","0.0011","9.6002","0.0013","10.1649","0.0014","99.619","0.002","109.189","0.002","109.599","0.002","621.42","0.15","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N4 O -","- C14 H12 N4 O -","- C28 H24 N8 O2 -","2","1","","Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei","Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N‒H···N Hydrogen Bond","The Journal of Physical Chemistry Letters","2014","5","1","92","","10.1021/jz402280w","","","0.71073","MoKα","","0.0671","0.0505","","","0.1176","0.1298","","","","","","1.047","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000200","4.4782","0.0004","11.8813","0.001","21.849","0.003","90","","90","","90","","1162.5","0.2","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H3 F7 O2 -","- C14 H3 F7 O2 -","- C56 H12 F28 O8 -","4","1","","Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.","Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes","The Journal of Physical Chemistry Letters","2014","5","9","1560","","10.1021/jz500519e","","","0.71075","MoKα","","0.1131","0.0641","","","0.1146","0.1352","","","","","","1.039","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000201","26.1476","0.0011","14.1409","0.0006","14.6773","0.0006","90","","90","","90","","5426.9","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C44 Cs Er F52 O8 -","- C44 Cs Er F52 O8 -","- C176 Cs4 Er4 F208 O32 -","4","0.5","","Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.","Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes","The Journal of Physical Chemistry Letters","2014","5","9","1560","","10.1021/jz500519e","","","0.71073","MoKα","","0.0346","0.0215","","","0.0415","0.0456","","","","","","1.019","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000202","26.905","0.0015","8.464","0.0004","24.2743","0.0013","90","","107.21","0.001","90","","5280.3","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","C52 O8 F28 Er Cs","","","- C58 H14 Cs Er F28 O8 -","- C58 H14 Cs Er F28 O8 -","- C232 H56 Cs4 Er4 F112 O32 -","4","0.5","","Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.","Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes","The Journal of Physical Chemistry Letters","2014","5","9","1560","","10.1021/jz500519e","","","0.71073","MoKα","","0.091","0.042","","","0.0714","0.0853","","","","","","0.965","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000203","13.2677","0.0013","14.96","0.0015","15.5993","0.0016","99.293","0.002","101.038","0.002","115.265","0.002","2643.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 Cs Er F28 O12 -","- C56 Cs Er F28 O12 -","- C112 Cs2 Er2 F56 O24 -","2","1","","Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.","Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes","The Journal of Physical Chemistry Letters","2014","5","9","1560","","10.1021/jz500519e","","","0.71073","MoKα","","0.1356","0.0891","","","0.2122","0.2717","","","","","","1.066","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000204","12.347","0.002","13.031","0.004","13.621","0.002","107.495","0.003","115.25","0.002","93.094","0.003","1847.8","0.7","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H33 Cl3 N4 -","- C47 H33 Cl3 N4 -","- C94 H66 Cl6 N8 -","2","1","","Harada, Yuka; Hatano, Sayaka; Kimoto, Atsushi; Abe, Jiro","Remarkable Acceleration for Back-Reaction of a Fast Photochromic Molecule","The Journal of Physical Chemistry Letters","2010","1","7","1112","","10.1021/jz100228w","","","0.71073","MoKα","","0.0672","0.051","","","0.133","0.1442","","","","","","1.025","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000205","7.8888","0.0003","10.6684","0.0004","12.2654","0.0005","81.87","0.001","78.907","0.001","67.749","0.001","934.87","0.06","223.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 B F4 N O -","- C21 H18 B F4 N O -","- C42 H36 B2 F8 N2 O2 -","2","1","","Nishizaka, Masaki; Mori, Tadashi; Inoue, Yoshihisa","Experimental and Theoretical Studies on the Chiroptical Properties of Donor−Acceptor Binaphthyls. Effects of Dynamic Conformer Population on Circular Dichroism","The Journal of Physical Chemistry Letters","2010","1","12","1809","","10.1021/jz100574e","","","0.7107","MoKα","","","0.0615","","","","0.1803","","","","","","1.926","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000206","5.8691","0.0006","14.2212","0.0015","14.2606","0.0014","113.921","0.007","100.286","0.007","93.039","0.007","1060.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H54 O2 S4 -","- C46 H54 O2 S4 -","- C46 H54 O2 S4 -","1","0.5","","Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara","Structure‒Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene‒Phenylene Co-Oligomer with Bulky Terminal Substituents","The Journal of Physical Chemistry Letters","2014","5","13","2171","","10.1021/jz500925r","","","1.54178","CuKα","","0.0843","0.0435","","","0.1172","0.151","","","","","","0.991","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000207","10.0773","0.0016","12.626","0.002","17.705","0.004","82.176","0.014","77.112","0.012","76.89","0.013","2130","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 O S2 -","- C23 H27 O S2 -","- C92 H108 O4 S8 -","4","2","","Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara","Structure‒Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene‒Phenylene Co-Oligomer with Bulky Terminal Substituents","The Journal of Physical Chemistry Letters","2014","5","13","2171","","10.1021/jz500925r","","","1.54178","CuKα","","0.1575","0.089","","","0.2615","0.318","","","","","","1.07","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000208","6.202","0.005","8.602","0.008","12.334","0.012","83.36","0.04","79.79","0.03","73.78","0.03","620.3","1","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H36 N2 -","- C32 H36 N2 -","- C32 H36 N2 -","1","0.5","","Chen, Jinlong; Ma, Suqian; Zhang, Jibo; Wang, Lijuan; Ye, Ling; Li, Bao; Xu, Bin; Tian, Wenjing","Proton-Triggered Hypsochromic Luminescence in 1,1′-(2,5-Distyryl-1,4-phenylene) Dipiperidine","The Journal of Physical Chemistry Letters","2014","5","16","2781","","10.1021/jz501383d","","","0.71073","MoKα","","0.0639","0.0488","","","0.1411","0.1495","","","","","","1.113","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000214","14.1274","0.0003","7.4879","0.0001","24.8944","0.0018","90","","97.826","0.007","90","","2608.9","0.2","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H46 S6 -","- C68 H46 S6 -","- C136 H92 S12 -","2","0.5","","Ie, Yutaka; Tanaka, Kazunari; Tashiro, Aya; Lee, See Kei; Testai, Henrique Rosa; Yamada, Ryo; Tada, Hirokazu; Aso, Yoshio","Thiophene-based Tripodal Anchor Units for Hole Transport in Single-Molecule Junctions with Gold Electrodes.","The journal of physical chemistry letters","2015","6","18","3754","3759","10.1021/acs.jpclett.5b01662","","","1.54187","CuKα","","0.0848","0.0714","","","0.208","0.2204","","","","","","1.044","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000227","10.73807","0.00019","18.8417","0.0003","27.9758","0.0005","90","","90","","90","","5660.16","0.17","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C66 H78 O6 -","- C66 H78 O6 -","- C264 H312 O24 -","4","1","","Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi","Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies.","The journal of physical chemistry letters","2016","7","5","783","788","10.1021/acs.jpclett.6b00179","","","1.54187","CuKα","","","0.0661","","","","0.1876","","","","","","1.055","","","","has coordinates","177426","2020-10-21","18:00:00",""
"8000228","14.5496","0.0009","25.3475","0.0014","10.4535","0.0007","90","","100.915","0.003","90","","3785.5","0.4","123","","123","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C48 H42 O6 -","- C48 H42 O6 -","- C192 H168 O24 -","4","1","","Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi","Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies.","The journal of physical chemistry letters","2016","7","5","783","788","10.1021/acs.jpclett.6b00179","","","1.54187","CuKα","","0.218","0.064","","","0.121","0.1767","","","","","","0.846","","","","has coordinates","177426","2020-10-21","18:00:00",""
"8000231","22.9575","0.0012","13.5678","0.0007","10.0581","0.0005","90","","90","","90","","3132.9","0.3","90","","90","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C37 H39 N2 O2 -","- C37 H39 N2 O2 -","- C148 H156 N8 O8 -","4","1","","Kobayashi, Yoichi; Shima, Kentaro; Mutoh, Katsuya; Abe, Jiro","Fast Photochromism Involving Thermally-Activated Valence Isomerization of Phenoxyl-Imidazolyl Radical Complex Derivatives.","The journal of physical chemistry letters","2016","7","16","3067","3072","10.1021/acs.jpclett.6b01271","","","0.71073","MoKα","","0.0553","0.0486","","","0.1231","0.128","","","","","","0.99","","","","has coordinates,has disorder","186255","2020-10-21","18:00:00",""
"8000232","14.2277","0.0006","17.004","0.0009","17.1275","0.0006","95.533","0.002","91.1547","0.0014","104.605","0.002","3986.8","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H51.42 N2 O -","- C51 H51.4255 N2 O -","- C204 H205.702 N8 O4 -","4","2","","Kobayashi, Yoichi; Shima, Kentaro; Mutoh, Katsuya; Abe, Jiro","Fast Photochromism Involving Thermally-Activated Valence Isomerization of Phenoxyl-Imidazolyl Radical Complex Derivatives.","The journal of physical chemistry letters","2016","7","16","3067","3072","10.1021/acs.jpclett.6b01271","","","0.71073","MoKα","","0.0875","0.0609","","","0.1584","0.178","","","","","","1.03","","","","has coordinates,has disorder","186255","2020-10-21","18:00:00",""
"8000233","8.8117","0.0008","8.8117","0.0008","12.674","0.002","90","","90","","90","","984.1","0.2","180","2","180","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- I6 N8 Pb2 -","- I6 N8 Pb2 -","- I12 N16 Pb4 -","2","0.0625","","G, Sharada; Mahale, Pratibha; Kore, Bhushan P.; Mukherjee, Somdutta; Pavan, Mysore S.; De, Chandan; Ghara, Somnath; Sundaresan, A.; Pandey, Anshu; Guru Row, Tayur N.; Sarma, D. D.","Is CH3NH3PbI3 Polar?","The journal of physical chemistry letters","2016","7","13","2412","2419","10.1021/acs.jpclett.6b00803","","","0.71073","MoKα","","0.0684","0.0612","","","0.1898","0.1962","","","","","","0.972","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000234","8.8767","0.0009","12.64","0.0014","8.5879","0.001","90","","90","","90","","963.58","0.18","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H6 I3 N Pb -","- C H6 I3 N Pb -","- C4 H24 I12 N4 Pb4 -","4","0.5","","G, Sharada; Mahale, Pratibha; Kore, Bhushan P.; Mukherjee, Somdutta; Pavan, Mysore S.; De, Chandan; Ghara, Somnath; Sundaresan, A.; Pandey, Anshu; Guru Row, Tayur N.; Sarma, D. D.","Is CH3NH3PbI3 Polar?","The journal of physical chemistry letters","2016","7","13","2412","2419","10.1021/acs.jpclett.6b00803","","","0.71073","MoKα","","0.0918","0.0688","","","0.2354","0.2437","","","","","","1.068","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000235","33.897","0.006","7.329","0.001","21.104","0.004","90","","100.329","0.004","90","","5157.9","1.5","100","2","99.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","B2 perylene diimide","2,9-di(pentan-3-yl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline- 1,3,8,10(2H,9H)-tetraone","","- C34 H29.5 N2 O4 -","- C34 H29.5 N2 O4 -","- C272 H236 N16 O32 -","8","2","","Austin, Ashli; Hestand, Nicholas J.; McKendry, Ian G.; Zhong, Chuwei; Zhu, Xuanyu; Zdilla, Michael J.; Spano, Frank C.; Szarko, Jodi M.","Enhanced Davydov Splitting in Crystals of a Perylene Diimide Derivative.","The journal of physical chemistry letters","2017","","","1118","1123","10.1021/acs.jpclett.7b00283","","","0.71073","MoKα","","0.0833","0.0501","","","0.1248","0.1524","","","","","","1.068","","","","has coordinates,has disorder","192660","2020-10-21","18:00:00",""
"8000236","26.4855","0.0012","34.211","0.002","21.8681","0.001","90","","90","","90","","19814.6","1.7","240","2","240","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","Au28(SR)20","","","- C120 H220 Au28 S20 -","- C120 H220 Au28 S20 -","- C480 H880 Au112 S80 -","4","0.25","","Higaki, Tatsuya; Liu, Chong; Chen, Yuxiang; Zhao, Shuo; Zeng, Chenjie; Jin, Renxi; Wang, Shuxin; Rosi, Nathaniel L.; Jin, Rongchao","Oxidation-Induced Transformation of Eight-Electron Gold Nanoclusters: [Au23(SR)16](-) to [Au28(SR)20](0).","The journal of physical chemistry letters","2017","8","4","866","870","10.1021/acs.jpclett.6b03061","","","1.54178","CuKα","","0.2558","0.1684","","","0.3882","0.4629","","","","","","1.529","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000237","21.8001","0.0005","9.0461","0.0002","19.7453","0.0005","90","","128.902","0.001","90","","3030.3","0.13","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C144 H128 O32 S8 -","8","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Ingredients to TICT Formation in Donor Substituted Hemithioindigo.","The journal of physical chemistry letters","2017","8","7","1585","1592","10.1021/acs.jpclett.7b00371","","","0.71073","MoKα","","0.05","0.0354","","","0.0831","0.0905","","","","","","1.025","","","","has coordinates","196162","2020-10-21","18:00:00",""
"8000238","13.5107","0.0004","8.4433","0.0002","13.5676","0.0004","90","","109.311","0.001","90","","1460.64","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","12","","","- C18 H16 O S -","- C18 H16 O S -","- C72 H64 O4 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Ingredients to TICT Formation in Donor Substituted Hemithioindigo.","The journal of physical chemistry letters","2017","8","7","1585","1592","10.1021/acs.jpclett.7b00371","","","0.71073","MoKα","","0.0605","0.0404","","","0.0933","0.107","","","","","","1.066","","","","has coordinates","196162","2020-10-21","18:00:00",""
"8000239","8.6197","0.0005","13.3862","0.0008","13.6456","0.0009","90","","102.746","0.0019","90","","1535.7","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O S -","- C20 H20 O S -","- C80 H80 O4 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Ingredients to TICT Formation in Donor Substituted Hemithioindigo.","The journal of physical chemistry letters","2017","8","7","1585","1592","10.1021/acs.jpclett.7b00371","","","0.71073","MoKα","","0.0584","0.0381","","","0.0885","0.0975","","","","","","1.042","","","","has coordinates","196162","2020-10-21","18:00:00",""
"8000240","6.2782","0.0002","11.0313","0.0003","20.7739","0.0007","90","","90","","90","","1438.73","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","204","","","- C18 H16 O2 S -","- C18 H16 O2 S -","- C72 H64 O8 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Ingredients to TICT Formation in Donor Substituted Hemithioindigo.","The journal of physical chemistry letters","2017","8","7","1585","1592","10.1021/acs.jpclett.7b00371","","","0.71073","MoKα","","0.0423","0.037","","","0.0877","0.0906","","","","","","1.073","","","","has coordinates","196162","2020-10-21","18:00:00",""
"8000241","18.464","0.003","22.363","0.003","22.409","0.003","91.741","0.002","104.271","0.003","106.193","0.002","8563","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H72 Br6 Ir N2 -","- C32 H72 Br6 Ir N2 -","- C256 H576 Br48 Ir8 N16 -","8","4","","Carbery, William P.; Verma, Archana; Turner, Daniel B.","Spin-Orbit Coupling Drives Femtosecond Nonadiabatic Dynamics in a Transition Metal Compound.","The journal of physical chemistry letters","2017","8","6","1315","1322","10.1021/acs.jpclett.7b00130","","","0.71073","MoKα","","0.1253","0.0536","","","0.123","0.1606","","","","","","1.001","","","","has coordinates","194761","2020-10-21","18:00:00",""
"8000242","4.647","0.0007","18.557","0.003","11.518","0.0017","90","","91.618","0.002","90","","992.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N6 O -","- C9 H8 N6 O -","- C36 H32 N24 O4 -","4","1","","Lucenti, Elena; Forni, Alessandra; Botta, Chiara; Carlucci, Lucia; Giannini, Clelia; Marinotto, Daniele; Previtali, Andrea; Righetto, Stefania; Cariati, Elena","H-aggregates Granting Crystallization Induced Emissive Behavior and Ultralong Phosphorescence from a Pure Organic Molecule.","The journal of physical chemistry letters","2017","","","1894","","10.1021/acs.jpclett.7b00503","","","0.71073","MoKα","","0.1643","0.0563","","","0.1231","0.1589","","","","","","0.989","","","","has coordinates","195426","2020-10-21","18:00:00",""
"8000243","15.6182","0.0004","15.6182","0.0004","22.4337","0.0007","90","","90","","120","","4739.1","0.2","328","2","328","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H36 Cl9 N3 Sb2 -","- C15 H36 Cl9 N3 Sb2 -","- C90 H216 Cl54 N18 Sb12 -","6","0.166667","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.0438","0.0376","","","0.117","0.1284","","","","","","1.065","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000244","15.8386","0.0004","15.8386","0.0004","22.839","0.0007","90","","90","","120","","4961.8","0.2","338","2","338","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H36 Br3 Cl6 N3 Sb2 -","- C15 H36 Br3 Cl6 N3 Sb2 -","- C90 H216 Br18 Cl36 N18 Sb12 -","6","0.166667","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.1497","0.1345","","","0.3039","0.3124","","","","","","1.67","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000245","15.9951","0.0004","15.9951","0.0004","23.1124","0.0007","90","","90","","120","","5120.9","0.2","335","2","335","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H36 Br9 N3 Sb2 -","- C15 H36 Br9 N3 Sb2 -","- C90 H216 Br54 N18 Sb12 -","6","0.166667","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.0604","0.0504","","","0.1491","0.1621","","","","","","1.097","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000246","15.2807","0.0007","15.2807","0.0007","23.3345","0.0011","90","","90","","120","","4718.6","0.4","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C15 H36 Br3 Cl6 N3 Sb2 -","- C15 H36 Br3 Cl6 N3 Sb2 -","- C90 H216 Br18 Cl36 N18 Sb12 -","6","0.333333","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","0.71073","MoKα","","0.0714","0.0693","","","0.1943","0.1976","","","","","","1.251","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000247","15.6943","0.0002","15.6943","0.0002","23.5279","0.0004","90","","90","","120","","5018.77","0.12","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C15 H36 Br9 N3 Sb2 -","- C15 H36 Br9 N3 Sb2 -","- C90 H216 Br54 N18 Sb12 -","6","0.333333","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.0807","0.0798","","","0.1871","0.1897","","","","","","1.079","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000248","8.3018","0.0017","9.4214","0.0019","16.293","0.003","83.45","0.03","77.59","0.03","85.73","0.03","1234.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N2 O6 S -","- C28 H26 N2 O6 S -","- C56 H52 N4 O12 S2 -","2","1","","Ma, Suqian; Zhang, Jibo; Liu, Yingjie; Qian, Jingyu; Xu, Bin; Tian, Wenjing","Direct Observation of the Symmetrical and Asymmetrical Protonation States in Molecular Crystals.","The journal of physical chemistry letters","2017","8","13","3068","3072","10.1021/acs.jpclett.7b01454","","","0.71073","MoKα","","0.1368","0.0663","","","0.1365","0.1699","","","","","","1.013","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000249","8.1571","0.0016","9.862","0.002","15.677","0.003","87.7","0.03","88.68","0.03","66.35","0.03","1154.3","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Cl N2 O2 -","- C28 H25 Cl N2 O2 -","- C56 H50 Cl2 N4 O4 -","2","1","","Ma, Suqian; Zhang, Jibo; Liu, Yingjie; Qian, Jingyu; Xu, Bin; Tian, Wenjing","Direct Observation of the Symmetrical and Asymmetrical Protonation States in Molecular Crystals.","The journal of physical chemistry letters","2017","8","13","3068","3072","10.1021/acs.jpclett.7b01454","","","0.71073","MoKα","","0.1004","0.0641","","","0.2256","0.2477","","","","","","1.124","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000250","7.5957","0.0015","5.7108","0.0011","22.899","0.005","90","","95.95","0.03","90","","988","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Ma, Suqian; Zhang, Jibo; Liu, Yingjie; Qian, Jingyu; Xu, Bin; Tian, Wenjing","Direct Observation of the Symmetrical and Asymmetrical Protonation States in Molecular Crystals.","The journal of physical chemistry letters","2017","8","13","3068","3072","10.1021/acs.jpclett.7b01454","","","0.71073","MoKα","","0.0596","0.0428","","","0.1269","0.138","","","","","","1.081","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000251","31.056","0.006","7.663","0.002","5.996","0.001","90","","94.18","0.03","90","","1423.1","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H80 O4 S4 -","- C60 H80 O4 S4 -","- C60 H80 O4 S4 -","1","0.25","","Bedoya-Martinez, Natalia; Schrode, Benedikt; Jones, Andrew O.F.; Salzillo, Tommaso; Ruzie, Christian; Demitri, Nicola; Geerts, Yves H.; Venuti, Elisabetta; Della Valle, Raffaele Guido; Zojer, Egbert; Resel, Roland","DFT-assisted polymorph identification from lattice Raman fingerprinting","The Journal of Physical Chemistry Letters","2017","8","","3690","3395","10.1021/acs.jpclett.7b01634","","","0.7","Synchrotron","","0.1465","0.0951","","","0.2388","0.2835","","","","","","1.014","","","","has coordinates","201247","2020-10-21","18:00:00",""
"8000252","21.2829","0.0007","21.539","0.0007","28.6908","0.001","99.7673","0.0017","111.114","0.0014","105.563","0.0015","11288.6","0.7","120","","119.99","","","","","","","","","4","P -1","-P 1","2","","","","- C150 H275 Au43 S25 -","- C150 H259 Au43 S25 -","- C300 H518 Au86 S50 -","2","1","","Dong, Hongwei; Liao, Lingwen; Wu, Zhikun","Two-Way Transformation between fcc- and Nonfcc-Structured Gold Nanoclusters.","The journal of physical chemistry letters","2017","8","21","5338","5343","10.1021/acs.jpclett.7b02459","","","1.54178","CuKα","","0.3605","0.1402","","","0.3168","0.3924","","","","","","1.007","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000253","7.1913","0.0003","7.3327","0.0003","11.7139","0.0004","87.608","0.001","85.333","0.001","68.993","0.001","574.67","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl2 N2 O6 -","- C24 H22 Cl2 N2 O6 -","- C24 H22 Cl2 N2 O6 -","1","0.5","","Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin","Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.","The journal of physical chemistry letters","2017","8","21","5450","5455","10.1021/acs.jpclett.7b02452","","","0.71073","MoKα","","0.0475","0.0398","","","0.1165","0.1233","","","","","","1.038","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000254","7.6272","0.0003","26.0909","0.001","6.9724","0.0003","90","","113.451","0.001","90","","1272.9","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl2 N2 O8 -","- C24 H26 Cl2 N2 O8 -","- C48 H52 Cl4 N4 O16 -","2","0.5","","Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin","Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.","The journal of physical chemistry letters","2017","8","21","5450","5455","10.1021/acs.jpclett.7b02452","","","0.71073","MoKα","","0.0677","0.0411","","","0.1026","0.1174","","","","","","1.029","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000255","14.1818","0.0003","9.4204","0.0002","15.9624","0.0004","90","","98.268","0.001","90","","2110.38","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl2 N2 O4 -","- C24 H18 Cl2 N2 O4 -","- C96 H72 Cl8 N8 O16 -","4","1","","Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin","Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.","The journal of physical chemistry letters","2017","8","21","5450","5455","10.1021/acs.jpclett.7b02452","","","1.54178","CuKα","","0.0599","0.0381","","","0.1085","0.1257","","","","","","0.86","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000256","14.1952","0.0003","9.4314","0.0002","15.9716","0.0004","90","","98.211","0.001","90","","2116.37","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl2 N2 O4 -","- C24 H18 Cl2 N2 O4 -","- C96 H72 Cl8 N8 O16 -","4","1","","Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin","Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.","The journal of physical chemistry letters","2017","8","21","5450","5455","10.1021/acs.jpclett.7b02452","","","1.54178","CuKα","","0.0435","0.036","","","0.1056","0.118","","","","","","0.676","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000257","19.3111","0.0007","7.5939","0.0003","13.4476","0.0005","90","","98.064","0.001","90","","1952.54","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C96 H80 N8 O24 -","4","0.5","","Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin","Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.","The journal of physical chemistry letters","2017","8","21","5450","5455","10.1021/acs.jpclett.7b02452","","","0.71073","MoKα","","0.0716","0.0474","","","0.1299","0.1552","","","","","","1.045","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000265","4.5671","0.0002","17.5924","0.0009","18.2091","0.0009","96.309","0.004","92.989","0.004","90.443","0.004","1452.06","0.12","300.5","0.5","300.5","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C40 H26 N2 O6 -","- C40 H26 N2 O6 -","- C80 H52 N4 O12 -","2","1","","Zhou, Jiadong; Zhang, Wenqiang; Jiang, Xiao-Fang; Wang, Cong; Zhou, Xuehong; Xu, Biao; Liu, Linlin; Xie, Zengqi; Ma, Yuguang","Magic-Angle Stacking and Strong Intermolecular π-π Interaction in a Perylene Bisimide Crystal: An Approach for Efficient Near-Infrared (NIR) Emission and High Electron Mobility.","The journal of physical chemistry letters","2018","","","596","600","10.1021/acs.jpclett.7b03251","","x-ray","1.54184","CuKα","","0.0903","0.0484","","","0.1276","0.1524","","","","","","1.048","","","","has coordinates","205441","2020-10-21","18:00:00",""
"8000266","13.339","0.0001","26.3269","0.0002","15.1633","0.0001","90","","94.066","0.001","90","","5311.56","0.07","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C106 H102 Ag2 B18 P8 -","- C106 H102 Ag2 B18 P8 -","- C212 H204 Ag4 B36 P16 -","2","0.5","","Shafikov, Marsel Z.; Suleymanova, Alfiya F.; Schinabeck, Alexander; Yersin, Hartmut","Dinuclear Ag(I) Complex Designed for Highly Efficient Thermally Activated Delayed Fluorescence.","The journal of physical chemistry letters","2018","","","702","709","10.1021/acs.jpclett.7b03160","","x-ray","1.54184","CuKα","","0.0304","0.0267","","","0.0694","0.0714","","","","","","1.037","","","","has coordinates,has disorder","205926","2020-10-21","18:00:00",""
"8000267","8.3106","0.0003","11.699","0.0005","8.9515","0.0004","90","","90","","90","","870.32","0.06","150.05","0.1","150.05","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0392","0.0388","","","0.1033","0.1036","","","","","","1.298","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000268","8.5134","0.0003","9.045","0.0004","11.3434","0.0004","90","","90","","90","","873.48","0.06","210.02","0.02","210.02","0.02","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0214","0.021","","","0.0583","0.0586","","","","","","1.113","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000269","8.5269","0.0003","9.0459","0.0004","11.3532","0.0004","90","","90","","90","","875.71","0.06","240.02","0.02","240.02","0.02","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0215","0.021","","","0.0592","0.0594","","","","","","1.114","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000270","8.5544","0.0003","9.0497","0.0004","11.3717","0.0004","90","","90","","90","","880.34","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0214","0.0205","","","0.0594","0.06","","","","","","1.105","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000271","8.3501","0.0003","11.7353","0.0005","8.9456","0.0004","90","","90","","90","","876.59","0.06","270.02","0.1","270.02","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0178","0.0169","","","0.0496","0.05","","","","","","1.124","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000272","8.4877","0.0003","9.0448","0.0004","11.3269","0.0004","90","","90","","90","","869.56","0.06","150.02","0.02","150.02","0.02","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0235","0.0233","","","0.0664","0.0665","","","","","","1.122","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000273","8.3606","0.0003","11.7463","0.0005","8.9453","0.0004","90","","90","","90","","878.48","0.06","300.03","0.1","300.03","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0177","0.0169","","","0.0492","0.0495","","","","","","1.113","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000274","8.3202","0.0003","11.7079","0.0005","8.9497","0.0004","90","","90","","90","","871.81","0.06","180.01","0.1","180.01","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0329","0.0325","","","0.0897","0.0901","","","","","","1.264","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000275","8.301","0.0003","11.6888","0.0005","8.9533","0.0004","90","","90","","90","","868.73","0.06","120.12","0.19","120.12","0.19","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","x-ray","0.71073","MoKα","","0.0394","0.0391","","","0.1044","0.1046","","","","","","1.289","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000276","8.3302","0.0003","11.7153","0.0005","8.9475","0.0004","90","","90","","90","","873.19","0.06","210.05","0.1","210.05","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0187","0.0181","","","0.0534","0.0537","","","","","","1.166","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000277","8.5009","0.0003","9.0436","0.0004","11.3352","0.0004","90","","90","","90","","871.44","0.06","180.02","0.02","180.02","0.02","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0234","0.0231","","","0.0645","0.0647","","","","","","1.116","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000278","8.34","0.0003","11.7244","0.0005","8.9461","0.0004","90","","90","","90","","874.76","0.06","240.02","0.1","240.02","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0178","0.017","","","0.0499","0.0503","","","","","","1.13","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000279","8.541","0.0003","9.0472","0.0004","11.3619","0.0004","90","","90","","90","","877.96","0.06","270.02","0.02","270.02","0.02","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0212","0.0207","","","0.058","0.0583","","","","","","1.097","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000280","13.5766","0.0012","15.6601","0.0012","15.8281","0.0012","90","","96.624","0.003","90","","3342.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 N2 O2 S -","- C42 H36 N2 O2 S -","- C168 H144 N8 O8 S4 -","4","1","","Wu, Kailong; Wang, Zian; Zhan, Lisi; Zhong, Cheng; Gong, Shaolong; Xie, Guohua; Yang, Chuluo","Realizing Highly Efficient Solution-Processed Homojunction-Like Sky-Blue OLEDs by Using Thermally Activated Delayed Fluorescent Emitters Featuring an Aggregation-Induced Emission Property.","The journal of physical chemistry letters","2018","","","1547","1553","10.1021/acs.jpclett.8b00344","","","0.71073","MoKα","","0.0929","0.0515","","","0.1212","0.1461","","","","","","1.002","","","","has coordinates","206936","2020-10-21","18:00:00",""
"8000281","9.8223","0.0006","19.3229","0.0002","17.8964","0.0011","90","","144.97","0.014","90","","1949.7","0.7","100.1","0.6","100.1","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H13 B F4 N2 O2 -","- C25 H13 B F4 N2 O2 -","- C100 H52 B4 F16 N8 O8 -","4","1","","Li, Tian-Yi; Benduhn, Johannes; Qiao, Zhi; Liu, Yuan; Li, Yue; Shivhare, Rishi; Jaiser, Frank; Wang, Pei; Ma, Jie; Zeika, Olaf; Neher, Dieter; Mannsfeld, Stefan C. B.; Ma, Zaifei; Vandewal, Koen; Leo, Karl","Effect of H- and J-Aggregation on the Photophysical and Voltage Loss of Boron Dipyrromethene Small Molecules in Vacuum-Deposited Organic Solar Cells.","The journal of physical chemistry letters","2019","","","2684","2691","10.1021/acs.jpclett.9b01222","","x-ray","1.54184","CuKα","","0.0386","0.035","","","0.0947","0.0982","","","","","","1.053","","","","has coordinates","215113","2020-10-21","18:00:00",""
"8000282","8.4155","0.0006","8.4155","0.0006","11.6376","0.0008","90","","90","","120","","713.76","0.09","273","2","273","2","","","","","","","","47","R 3 m :H","R 3 -2""","160","","","","- C8 H13 Be Br N O3 ad ar at2 be2 ca co d2 de di2 dr e5 ec en er ff h hy ic2 io ld n nn of og om ou rd re s sh si so t te th4 to tu ul us wh wi -","- C6 H13 Br N O3 -","- C18 H39 Br3 N3 O9 -","3","0.166667","","Tang, Zheng; Gao, Kai-Ge; Sun, Xiao-Fan; Yang, Xing-Ming; Wu, Yi-Zhang; Gao, Zhang-Ran; Cai, Hong-Ling; Wu, X. S.","High-Temperature Molecular Ferroelectric Tris(2-hydroxyethyl) Ammonium Bromide with Dielectric Relaxation.","The journal of physical chemistry letters","2019","","","6650","6655","10.1021/acs.jpclett.9b02875","","","0.71073","MoKα","","0.0188","0.0188","","","0.0436","0.0436","","","","","","0.972","","","","has coordinates","219627","2020-10-21","18:00:00",""
"8000283","8.4617","0.0006","8.4617","0.0006","11.6938","0.0014","90","","90","","120","","725.11","0.11","435","2","435","2","","","","","","","","30","R -3 m :H","-R 3 2""","166","","","","- C54 H0 Br3 N6 O36 Th Z at2 ca2 de di e3 ed2 er in is lc ll lu of rd se so th ua ul us va vi y -","- C54 Br3 N6 O36 -","- C54 Br3 N6 O36 -","1","0.0277778","","Tang, Zheng; Gao, Kai-Ge; Sun, Xiao-Fan; Yang, Xing-Ming; Wu, Yi-Zhang; Gao, Zhang-Ran; Cai, Hong-Ling; Wu, X. S.","High-Temperature Molecular Ferroelectric Tris(2-hydroxyethyl) Ammonium Bromide with Dielectric Relaxation.","The journal of physical chemistry letters","2019","","","6650","6655","10.1021/acs.jpclett.9b02875","","","0.71073","MoKα","","0.1119","0.1115","","","0.263","0.2634","","","","","","1.301","","","","has coordinates,has disorder","219628","2020-10-21","18:00:00",""
"8000284","10.8426","0.0005","21.9098","0.0011","11.8473","0.0006","90","","106.849","0.001","90","","2693.6","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 B F2 N3 S -","- C31 H30 B F2 N3 S -","- C124 H120 B4 F8 N12 S4 -","4","1","","Sansalone, Lorenzo; Zhang, Yang; Mazza, Mercedes M. A.; Davis, Janel L.; Song, Ki-Hee; Captain, Burjor; Zhang, Hao F.; Raymo, Françisco M","High-Throughput Single-Molecule Spectroscopy Resolves the Conformational Isomers of BODIPY Chromophores.","The journal of physical chemistry letters","2019","","","6807","6812","10.1021/acs.jpclett.9b02250","","","0.71073","MoKα","","0.053","0.0402","","","0.0872","0.0935","","","","","","1.024","","","","has coordinates","219629","2020-10-21","18:00:00",""
"8000285","21.349","0.0009","5.8099","0.0002","31.5108","0.0013","90","","109.762","0.004","90","","3678.3","0.3","99.9","0.7","99.9","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H34 N2 O -","- C54 H34 N2 O -","- C216 H136 N8 O4 -","4","1","","Xu, Yuwei; Wang, Cong; Zhou, Xuehong; Zhou, Jiadong; Guo, Xiaomin; Liang, Xiaoming; Hu, Dehua; Li, Feng; Ma, Dongge; Ma, Yuguang","Fine Modulation of the Higher-Order Excitonic States toward More Efficient Conversion from Upper-Level Triplet to Singlet.","The journal of physical chemistry letters","2019","","","6878","6884","10.1021/acs.jpclett.9b02751","","x-ray","1.54184","CuKα","","0.0768","0.0674","","","0.1795","0.1897","","","","","","1.031","","","","has coordinates","219630","2020-10-21","18:00:00",""
"8000286","9.5474","0.0003","13.5232","0.0004","13.8528","0.0004","96.265","0.002","101.881","0.002","94.046","0.002","1731.81","0.09","100","0.9","100","0.9","","","","","","","","4","P -1","-P 1","2","","","","- C50 H32 N2 O -","- C50 H32 N2 O -","- C100 H64 N4 O2 -","2","1","","Xu, Yuwei; Wang, Cong; Zhou, Xuehong; Zhou, Jiadong; Guo, Xiaomin; Liang, Xiaoming; Hu, Dehua; Li, Feng; Ma, Dongge; Ma, Yuguang","Fine Modulation of the Higher-Order Excitonic States toward More Efficient Conversion from Upper-Level Triplet to Singlet.","The journal of physical chemistry letters","2019","","","6878","6884","10.1021/acs.jpclett.9b02751","","x-ray","1.54184","CuKα","","0.0585","0.0508","","","0.1328","0.1384","","","","","","1.072","","","","has coordinates,has disorder","219631","2020-10-21","18:00:00",""
"8000287","7.472","0.002","9.4907","0.0006","9.7169","0.0008","90","","90","","90","","689.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0257","0.0257","","0.0307","0.0307","0.0824","","","3.0967","3.0967","3.0967","","","","","has coordinates,has disorder","220563","2020-10-21","18:00:00",""
"8000288","7.472","0.002","9.4907","0.0006","9.7169","0.0008","90","","90","","90","","689.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0173","0.0173","","0.0153","0.0153","0.0824","","","1.5629","1.5629","1.5629","","","","","has coordinates,has disorder","220563","2020-10-21","18:00:00",""
"8000289","7.472","0.002","9.4907","0.0006","9.7169","0.0008","90","","90","","90","","689.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0178","0.0178","","0.0162","0.0162","0.0824","","","1.659","1.659","1.659","","","","","has coordinates,has disorder","220563","2020-10-21","18:00:00",""
"8000290","7.4583","0.0004","9.4892","0.0007","9.7301","0.0006","90","","90","","90","","688.63","0.08","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0245","0.0245","","0.0297","0.0297","0.061","","","2.4429","2.4429","2.4429","","","","","has coordinates,has disorder","220564","2020-10-21","18:00:00",""
"8000291","7.4583","0.0004","9.4892","0.0007","9.7301","0.0006","90","","90","","90","","688.63","0.08","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0161","0.0161","","0.0153","0.0153","0.061","","","1.2718","1.2718","1.2718","1.078","","","","has coordinates,has disorder","220564","2020-10-21","18:00:00",""
"8000292","7.4583","0.0004","9.4892","0.0007","9.7301","0.0006","90","","90","","90","","688.63","0.08","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Gly-Ala_HAR-ELMO_12K","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0167","0.0167","","0.0162","0.0162","0.061","","","1.3447","1.3447","1.3447","1.078","","","","has coordinates,has disorder","220564","2020-10-21","18:00:00",""
"8000293","7.462","0.001","9.49","0.002","9.727","0.0001","90","","90","","90","","688.81","0.17","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0258","0.0258","","0.0295","0.0295","0.0647","","","2.1406","2.1406","2.1406","","","","","has coordinates,has disorder","220565","2020-10-21","18:00:00",""
"8000294","7.462","0.001","9.49","0.002","9.727","0.0001","90","","90","","90","","688.81","0.17","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0179","0.0179","","0.0167","0.0167","0.0647","","","1.2239","1.2239","1.2239","1.037","","","","has coordinates,has disorder","220565","2020-10-21","18:00:00",""
"8000295","7.462","0.001","9.49","0.002","9.727","0.0001","90","","90","","90","","688.81","0.17","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0187","0.0187","","0.0179","0.0179","0.0647","","","1.3097","1.3097","1.3097","1.037","","","","has coordinates,has disorder","220565","2020-10-21","18:00:00",""
"8000296","7.529","0.002","9.516","0.001","9.688","0.001","90","","90","","90","","694.1","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0299","0.0299","","0.0298","0.0298","0.0746","","","2.739","2.739","2.739","","","","","has coordinates,has disorder","220566","2020-10-21","18:00:00",""
"8000297","7.529","0.002","9.516","0.001","9.688","0.001","90","","90","","90","","694.1","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0193","0.0193","","0.0153","0.0153","0.0746","","","1.4226","1.4226","1.4226","","","","","has coordinates,has disorder","220566","2020-10-21","18:00:00",""
"8000298","7.529","0.002","9.516","0.001","9.688","0.001","90","","90","","90","","694.1","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0206","0.0206","","0.0167","0.0167","0.0746","","","1.5517","1.5517","1.5517","","","","","has coordinates,has disorder","220566","2020-10-21","18:00:00",""
"8000299","7.487","0.002","9.496","0.0001","9.7099","0.0004","90","","90","","90","","690.34","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0251","0.0251","","0.0291","0.0291","0.0642","","","3.0926","3.0926","3.0926","1.095","","","","has coordinates,has disorder","220567","2020-10-21","18:00:00",""
"8000300","7.487","0.002","9.496","0.0001","9.7099","0.0004","90","","90","","90","","690.34","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0161","0.0161","","0.0142","0.0142","0.0642","","","1.5282","1.5282","1.5282","","","","","has coordinates,has disorder","220567","2020-10-21","18:00:00",""
"8000301","7.487","0.002","9.496","0.0001","9.7099","0.0004","90","","90","","90","","690.34","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0168","0.0168","","0.0154","0.0154","0.0642","","","1.6507","1.6507","1.6507","","","","","has coordinates,has disorder","220567","2020-10-21","18:00:00",""
"8000302","14.002","","4.879","","15.1","","75.234","","75.88","","78.894","","957.957","","100","2","100","2","","","","","","","","4","P 1","P 1","1","HUMAN PRION PEPTIDE, RESIDUES 170-175","","","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","1","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.8856","synchrotron","","0.0446","0.0446","","0.053","0.053","","","","3.1979","3.1979","3.1979","","","","","has coordinates,has disorder","220568","2020-10-21","18:00:00",""
"8000303","14.002","","4.879","","15.1","","75.234","","75.88","","78.894","","957.957","","100","2","100","2","","","","","","","","4","P 1","P 1","1","HUMAN PRION PEPTIDE, RESIDUES 170-175","","","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","1","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.8856","synchrotron","","0.0436","0.0436","","0.0522","0.0522","","","","3.1469","3.1469","3.1469","","","","","has coordinates,has disorder","220568","2020-10-21","18:00:00",""
"8000304","14.002","","4.879","","15.1","","75.234","","75.88","","78.894","","957.957","","100","2","100","2","","","","","","","","4","P 1","P 1","1","HUMAN PRION PEPTIDE, RESIDUES 170-175","","","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","1","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.8856","synchrotron","","0.0474","0.0474","","0.0572","0.0572","","","","3.4515","3.4515","3.4515","","","","","has coordinates,has disorder","220568","2020-10-21","18:00:00",""
"8000305","40.824","","18.498","","22.371","","90","","90.47","","90","","16893.2","","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Crambine","","","- C202 H315 N55 O64 S6 -","- C202 H315 N55 O64 S6 -","- C404 H630 N110 O128 S12 -","2","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.54","synchrotron","","0.0703","0.0703","","0.0833","0.0833","","","","2.21","2.21","2.21","","","","","has coordinates,has disorder","220569","2020-10-21","18:00:00",""
"8000306","40.824","","18.498","","22.371","","90","","90.47","","90","","16893.2","","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Crambine","","","- C202 H315 N55 O64 S6 -","- C202 H315 N55 O64 S6 -","- C404 H630 N110 O128 S12 -","2","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.54","synchrotron","","0.0715","0.0715","","0.0843","0.0843","","","","2.2369","2.2369","2.2369","","","","","has coordinates,has disorder","220569","2020-10-21","18:00:00",""
"8000307","40.824","","18.498","","22.371","","90","","90.47","","90","","16893.2","","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Crambine","","","- C202 H315 N55 O64 S6 -","- C202 H315 N55 O64 S6 -","- C404 H630 N110 O128 S12 -","2","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.54","synchrotron","","0.0618","0.0618","","0.0776","0.0776","","","","2.7385","2.7385","2.7385","","","","","has coordinates,has disorder","220569","2020-10-21","18:00:00",""
"8000308","40.824","","18.498","","22.371","","90","","90.47","","90","","16893.2","","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Crambine","","","- C202 H315 N55 O64 S6 -","- C202 H315 N55 O64 S6 -","- C404 H630 N110 O128 S12 -","2","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.54","synchrotron","","0.0624","0.0624","","0.0785","0.0785","","","","2.7698","2.7698","2.7698","","","","","has coordinates,has disorder","220569","2020-10-21","18:00:00",""
"8000309","5.9587","0.0002","12.2796","0.0004","5.7876","0.0002","90","","90","","90","","423.48","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0269","0.0269","","0.0295","0.0295","0.065","","","4.1247","4.1247","4.1247","","","","","has coordinates,has disorder","220570","2020-10-21","18:00:00",""
"8000310","5.9587","0.0002","12.2796","0.0004","5.7876","0.0002","90","","90","","90","","423.48","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0198","0.0198","","0.0149","0.0149","0.065","","","2.0966","2.0966","2.0966","1.113","","","","has coordinates,has disorder","220570","2020-10-21","18:00:00",""
"8000311","5.9587","0.0002","12.2796","0.0004","5.7876","0.0002","90","","90","","90","","423.48","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0204","0.0204","","0.0164","0.0164","0.065","","","2.2979","2.2979","2.2979","1.113","","","","has coordinates,has disorder","220570","2020-10-21","18:00:00",""
"8000312","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0284","0.0284","","0.0317","0.0317","0.0694","","","2.28","2.28","2.28","","","","","has coordinates,has disorder","220571","2020-10-21","18:00:00",""
"8000313","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0195","0.0195","","0.0163","0.0163","0.0694","","","1.1829","1.1829","1.1829","1.071","","","","has coordinates,has disorder","220571","2020-10-21","18:00:00",""
"8000314","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0204","0.0204","","0.0178","0.0178","0.0694","","","1.2913","1.2913","1.2913","1.071","","","","has coordinates,has disorder","220571","2020-10-21","18:00:00",""
"8000315","5.9596","0.0002","12.2828","0.0003","5.7899","0.0001","90","","90","","90","","423.824","0.019","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0279","0.0279","","0.033","0.033","0.0739","","","2.6228","2.6228","2.6228","1.106","","","","has coordinates,has disorder","220572","2020-10-21","18:00:00",""
"8000316","5.9596","0.0002","12.2828","0.0003","5.7899","0.0001","90","","90","","90","","423.824","0.019","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0202","0.0202","","0.0222","0.0222","0.0739","","","1.7754","1.7754","1.7754","1.106","","","","has coordinates,has disorder","220572","2020-10-21","18:00:00",""
"8000317","5.9596","0.0002","12.2828","0.0003","5.7899","0.0001","90","","90","","90","","423.824","0.019","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.021","0.021","","0.0235","0.0235","0.0739","","","1.877","1.877","1.877","1.106","","","","has coordinates,has disorder","220572","2020-10-21","18:00:00",""
"8000318","10.851","0.004","13.095","0.003","21.192","0.004","90","","90","","90","","3011.3","1.4","","","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Leu-enkephalin trihydrate","","","- C28 H43 N5 O10 -","- C28 H43 N5 O10 -","- C112 H172 N20 O40 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.71073","MoKα","","0.0557","0.0557","","0.0337","0.0337","","","","1.0304","1.0304","1.0304","","","","","has coordinates,has disorder","220573","2020-10-21","18:00:00",""
"8000319","10.851","0.004","13.095","0.003","21.192","0.004","90","","90","","90","","3011.3","1.4","","","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Leu-enkephalin trihydrate","","","- C28 H43 N5 O10 -","- C28 H43 N5 O10 -","- C112 H172 N20 O40 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.71073","MoKα","","0.0423","0.0423","","0.0232","0.0232","","","","0.7104","0.7104","0.7104","","","","","has coordinates,has disorder","220573","2020-10-21","18:00:00",""
"8000320","10.851","0.004","13.095","0.003","21.192","0.004","90","","90","","90","","3011.3","1.4","","","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Leu-enkephalin trihydrate","","","- C28 H43 N5 O10 -","- C28 H43 N5 O10 -","- C112 H172 N20 O40 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.71073","MoKα","","0.043","0.043","","0.0242","0.0242","","","","0.7383","0.7383","0.7383","","","","","has coordinates,has disorder","220573","2020-10-21","18:00:00",""
"8000321","15.7708","0.0004","18.1452","0.0005","20.416","0.0006","75.089","0.002","68.707","0.003","78.676","0.002","5225.7","0.3","123","0.19","123","0.19","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 Cl Ir N6 -","- C60 H56 Cl Ir N6 -","- C240 H224 Cl4 Ir4 N24 -","4","2","","Shafikov, Marsel Z.; Daniels, Ruth; Kozhevnikov, Valery N.","Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design.","The journal of physical chemistry letters","2019","","","7015","7024","10.1021/acs.jpclett.9b03002","","x-ray","1.54184","CuKα","","0.0421","0.0364","","","0.0941","0.0985","","","","","","1.038","","","","has coordinates,has disorder","222182","2020-10-21","18:00:00",""
"8000322","14.7346","0.0002","14.9699","0.0003","23.4455","0.0003","74.694","0.001","79.203","0.001","80.84","0.001","4866.79","0.14","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C99 H96 Cl2 Ir2 N10 O3 -","- C99 H96 Cl2 Ir2 N10 O3 -","- C198 H192 Cl4 Ir4 N20 O6 -","2","1","","Shafikov, Marsel Z.; Daniels, Ruth; Kozhevnikov, Valery N.","Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design.","The journal of physical chemistry letters","2019","","","7015","7024","10.1021/acs.jpclett.9b03002","","x-ray","1.54184","CuKα","","0.0331","0.028","","","0.0677","0.0714","","","","","","1.074","","","","has coordinates,has disorder","222184","2020-10-21","18:00:00",""
"8000323","7.7534","0.0014","6.1617","0.001","11.687","0.0017","90","","100.352","0.015","90","","549.25","0.16","293","2","293.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 -","- C14 H14 -","- C28 H28 -","2","0.5","","Zhang, Haoke; Du, Lili; Wang, Lin; Liu, Junkai; Wan, Qing; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Phillips, David Lee; Tang, Ben Zhong","Visualization and Manipulation of Molecular Motion in the Solid State through Photoinduced Clusteroluminescence.","The journal of physical chemistry letters","2019","","","7077","7085","10.1021/acs.jpclett.9b02752","","","0.71073","MoKα","","0.1153","0.0739","","","0.1753","0.2212","","","","","","1.038","","","","has coordinates","223433","2020-10-21","18:00:00",""
"8000324","5.5945","0.0006","6.5367","0.0005","11.7666","0.0009","102.817","0.007","100.053","0.008","102.883","0.008","397.49","0.07","199.99","0.11","199.99","0.11","","","","","","","","2","P -1","-P 1","2","","","","- C20 H26 -","- C20 H26 -","- C20 H26 -","1","0.5","","Zhang, Haoke; Du, Lili; Wang, Lin; Liu, Junkai; Wan, Qing; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Phillips, David Lee; Tang, Ben Zhong","Visualization and Manipulation of Molecular Motion in the Solid State through Photoinduced Clusteroluminescence.","The journal of physical chemistry letters","2019","","","7077","7085","10.1021/acs.jpclett.9b02752","","x-ray","0.71073","MoKα","","0.0679","0.0527","","","0.1444","0.1583","","","","","","1.002","","","","has coordinates","223434","2020-10-21","18:00:00",""
"8000325","5.124","0.003","5.124","0.003","9.039","0.005","90","","90","","90","","237.3","0.2","295","2","295.15","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C H6 I N -","- C H6 I N -","- C2 H12 I2 N2 -","2","0.125","","Wang, Ryan Taoran; Xu, Alex Fan; Chen, Jason Yuanzhe; Yang, Lory Wenjuan; Xu, Gu; Jarvis, Victoria; Britten, James F.","Reversing Organic-Inorganic Hybrid Perovskite Degradation in Water via pH and Hydrogen Bonds.","The journal of physical chemistry letters","2019","10","22","7245","7250","10.1021/acs.jpclett.9b02972","","","0.71073","MoKα","","0.0399","0.037","","","0.0952","0.0976","","","","","","1.16","","","","has coordinates,has disorder","246581","2020-10-21","18:00:00",""
"8000326","9.0182","0.0002","24.4582","0.0005","8.5723","0.0002","90","","116.569","0.003","90","","1691.11","0.08","100","0.02","100","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","caffeine:3-hydroxy-2-naphthoic acid","caffeine:3-hydroxy-2-naphthoic acid","","- C19 H18 N5 O4 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0582","0.0467","","","0.1195","0.1247","","","","","","1.066","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000327","9.0479","0.0003","24.4512","0.0006","8.63","0.0003","90","","116.789","0.004","90","","1704.32","0.11","150","0.02","150","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N5 O4 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0721","0.0511","","","0.1309","0.1404","","","","","","1.041","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000328","9.0743","0.0003","24.4428","0.0006","8.6752","0.0003","90","","117.006","0.004","90","","1714.36","0.11","200","0.02","200","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N5 O4 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.081","0.0539","","","0.1422","0.1536","","","","","","1.022","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000329","9.0145","0.0002","24.45","0.0005","8.565","0.0002","90","","116.585","0.003","90","","1688.17","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","caffeine:3-hydroxy-2-naphthoic acid","","","- C19 H18 N4 O5 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.057","0.034","","","","0.065","","","","","","1.366","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000330","7.3987","0.0002","7.8597","0.0002","13.983","0.0003","79.178","0.002","76.444","0.002","67.127","0.003","724.07","0.04","100","0.02","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0415","0.0362","","","0.097","0.1","","","","","","1.063","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000331","7.4335","0.0003","7.8619","0.0003","14.0401","0.0004","78.971","0.003","76.114","0.003","67.082","0.003","729.26","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0489","0.0405","","","0.1076","0.1128","","","","","","1.061","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000332","7.45886","0.00019","7.8664","0.0002","14.0846","0.0003","78.745","0.002","75.831","0.002","67.053","0.003","733.24","0.03","200","0.02","200","0.02","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0474","0.0393","","","0.1084","0.1131","","","","","","1.074","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000333","7.4144","0.0001","7.8692","0.0002","13.9978","0.0002","79.205","0.002","76.448","0.002","67.097","0.002","727.15","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","caffeine:3,5-pyrazoledicarboxylic acid","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.034","0.023","","","","0.053","","","","","","1.116","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000334","7.47","0.0003","7.83","0.0003","14.1","0.0008","78.2","0.004","75.3","0.004","66.7","0.004","727.61","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.0968","0.0582","","","0.1222","0.1382","","","","","","1.075","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000335","7.47","0.0003","7.83","0.0003","14.1","0.0008","78.2","0.004","75.3","0.004","66.7","0.004","727.61","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.0917","0.0537","","","0.1073","0.1212","","","","","","1.093","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000336","6.79266","0.00012","7.42265","0.00013","20.4135","0.0003","93.5078","0.0014","99.2464","0.0014","90.7721","0.0014","1013.68","0.03","100","0.02","100","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0432","0.0368","","","0.1046","0.1093","","","","","","1.025","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000337","6.80954","0.00016","7.4556","0.0002","20.4333","0.0005","93.733","0.002","99.374","0.002","90.457","0.002","1021.18","0.04","150","0.02","150","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0594","0.045","","","0.1197","0.1305","","","","","","1.027","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000338","6.8289","0.0002","7.4919","0.0002","20.4608","0.0005","94.001","0.002","99.524","0.003","90.156","0.003","1029.75","0.05","200","0.02","200","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0714","0.0487","","","0.1303","0.1418","","","","","","1.048","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000339","6.7952","0.0001","7.4236","0.0001","20.4083","0.0002","93.501","0.001","99.23","0.001","90.718","0.001","1014.01","0.02","100","2","100.01","0.13","","","","","","","","5","P -1","-P 1","2","theophylline:2,5-diflurobenzoic acid","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.048","0.026","","","","0.05","","","","","","1.085","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000340","6.8745","0.0002","7.5733","0.0003","20.5303","0.0006","94.526","0.003","99.28","0.002","90.55","0.003","1051.31","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.2262","0.0823","","","0.0957","0.127","","","","","","1.077","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000341","6.8745","0.0002","7.5733","0.0003","20.5303","0.0006","94.526","0.003","99.28","0.002","90.55","0.003","1051.31","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.2277","0.0846","","","0.1004","0.1327","","","","","","1.086","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000342","3.80841","0.00013","8.3454","0.0003","8.5998","0.0003","81.922","0.003","80.362","0.003","85.796","0.003","266.446","0.016","100","0.02","100","0.02","","","","","","","","4","P -1","-P 1","2","2,3,5,6-tetramethylpyrazine:oxalic acid","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0407","0.0359","","","0.1064","0.1097","","","","","","1.065","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000343","3.84026","0.00019","8.3386","0.0004","8.6155","0.0005","82.02","0.004","80.617","0.004","86.006","0.004","269.25","0.02","150","0.02","150","0.02","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0434","0.0383","","","0.1161","0.1194","","","","","","1.067","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000344","3.87078","0.00013","8.3374","0.0003","8.6101","0.0003","82.173","0.003","80.895","0.003","86.179","0.003","271.521","0.017","200","0.02","200","0.02","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0542","0.0456","","","0.1383","0.1454","","","","","","1.051","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000345","3.8078","0.0001","8.3463","0.0002","8.5971","0.0003","81.918","0.002","80.381","0.002","85.89","0.002","266.383","0.013","100","2","100","0.1","","","","","","","","4","P -1","-P 1","2","2,3,5,6-tetramethylpyrazine:oxalic acid","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.029","0.018","","","","0.044","","","","","","1.171","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000346","3.9491","0.0003","8.3309","0.0005","8.6409","0.0004","82.304","0.005","81.08","0.006","86.244","0.006","278.02","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.12","0.0778","","","0.1703","0.1924","","","","","","1.102","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000347","3.9491","0.0003","8.3309","0.0005","8.6409","0.0004","82.304","0.005","81.08","0.006","86.244","0.006","278.02","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.1044","0.0625","","","0.1432","0.1616","","","","","","1.196","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000348","18.8585","0.0007","22.2711","0.0008","29.2473","0.0012","96.472","0.002","106.952","0.003","111.124","0.003","10629","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C192 H216 Ag3.96 Au34.04 S24 -","- C192 H216 Ag3.96 Au34.04 S24 -","- C384 H432 Ag7.92 Au68.08 S48 -","2","1","","Kumara, Chanaka; Gagnon, Kevin J.; Dass, Amala","X-ray Crystal Structure of Au38-xAgx(SCH2CH2Ph)24 Alloy Nanomolecules.","The journal of physical chemistry letters","2015","6","7","1223","1228","10.1021/acs.jpclett.5b00270","","","0.7749","synchrotron","","0.0979","0.0492","","","0.0968","0.1125","","","","","","1.014","","","","has coordinates,has disorder","236640","2020-10-21","18:00:00",""
"8000349","6.6764","0.001","13.184","0.003","17.361","0.003","73.665","0.009","83.571","0.01","83.54","0.01","1452","0.5","383","2","383","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H86 O6 -","- C60 H86 O6 -","- C60 H86 O6 -","1","0.5","","Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar","Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations.","The journal of physical chemistry letters","2016","7","20","4086","4092","10.1021/acs.jpclett.6b01891","","","0.71073","MoKα","","0.4051","0.137","","","0.2264","0.3438","","","","","","1.018","","","","has coordinates","236642","2020-10-21","18:00:00",""
"8000350","7.1245","0.0003","12.6264","0.0006","16.7681","0.001","101.132","0.002","101.941","0.002","103.882","0.002","1385.09","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H86 O6 -","- C60 H86 O6 -","- C60 H86 O6 -","1","0.5","","Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar","Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations.","The journal of physical chemistry letters","2016","7","20","4086","4092","10.1021/acs.jpclett.6b01891","","","0.71073","MoKα","","0.1568","0.0668","","","0.1798","0.2436","","","","","","1.017","","","","has coordinates","236643","2020-10-21","18:00:00",""
"8000351","5.6873","0.0004","11.0563","0.0009","21.3282","0.0017","76.848","0.002","83.218","0.002","89.785","0.003","1296.44","0.17","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H86 O6 -","- C60 H86 O6 -","- C60 H86 O6 -","1","0.5","","Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar","Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations.","The journal of physical chemistry letters","2016","7","20","4086","4092","10.1021/acs.jpclett.6b01891","","","0.71073","MoKα","","0.0985","0.0542","","","0.1465","0.2084","","","","","","1.067","","","","has coordinates","236645","2020-10-21","18:00:00",""
"8000352","8.1868","0.0007","8.2071","0.0007","29.482","0.003","84.999","0.007","84.042","0.006","63.879","0.005","1767.1","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H51 B Cl Co N9 O3 -","- C31 H51 B Cl Co N9 O3 -","- C62 H102 B2 Cl2 Co2 N18 O6 -","2","1","","Pavlov, Alexander A.; Nelyubina, Yulia V.; Kats, Svitlana V.; Penkova, Larysa V.; Efimov, Nikolay N.; Dmitrienko, Artem O.; Vologzhanina, Anna V.; Belov, Alexander S.; Voloshin, Yan Z.; Novikov, Valentin V.","Polymorphism in a Cobalt-Based Single-Ion Magnet Tuning Its Barrier to Magnetization Relaxation.","The journal of physical chemistry letters","2016","7","20","4111","4116","10.1021/acs.jpclett.6b02091","","","1.54178","CuKα","","0.1516","0.1451","","","0.3514","0.3567","","","","","","2.465","","","","has coordinates","236647","2020-10-21","18:00:00",""
"8000353","32.44","0.007","8.0312","0.0016","13.936","0.003","90","","90.734","0.004","90","","3630.5","1.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 B Cl Co N9 O3 -","- C31 H51 B Cl Co N9 O3 -","- C124 H204 B4 Cl4 Co4 N36 O12 -","4","1","","Pavlov, Alexander A.; Nelyubina, Yulia V.; Kats, Svitlana V.; Penkova, Larysa V.; Efimov, Nikolay N.; Dmitrienko, Artem O.; Vologzhanina, Anna V.; Belov, Alexander S.; Voloshin, Yan Z.; Novikov, Valentin V.","Polymorphism in a Cobalt-Based Single-Ion Magnet Tuning Its Barrier to Magnetization Relaxation.","The journal of physical chemistry letters","2016","7","20","4111","4116","10.1021/acs.jpclett.6b02091","","","0.71073","MoKα","","0.0989","0.0753","","","0.1816","0.1975","","","","","","1.012","","","","has coordinates","236648","2020-10-21","18:00:00",""
"8000354","4.266","0.005","13.533","0.005","19.669","0.005","90","0.005","90","0.005","90","0.005","1135.5","1.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Br -","- C16 H9 Br -","- C64 H36 Br4 -","4","1","","Philip, Abbey M.; Mallia, Ajith R.; Hariharan, Mahesh","Prolonged Charge Separated States in Twisted Stacks of All-Carbon Donor and Acceptor Chromophores.","The journal of physical chemistry letters","2016","7","22","4751","4756","10.1021/acs.jpclett.6b02310","","","0.71073","MoKα","","0.0591","0.0379","","","0.0744","0.0851","","","","","","1.1","","","","has coordinates","236650","2020-10-21","18:00:00",""
"8000355","30.4984","0.0011","3.9613","0.0002","16.2415","0.0006","90","","92.412","0.003","90","","1960.45","0.14","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 -","- C32 H18 -","- C128 H72 -","4","1","","Philip, Abbey M.; Mallia, Ajith R.; Hariharan, Mahesh","Prolonged Charge Separated States in Twisted Stacks of All-Carbon Donor and Acceptor Chromophores.","The journal of physical chemistry letters","2016","7","22","4751","4756","10.1021/acs.jpclett.6b02310","","","0.71073","MoKα","","0.1065","0.0489","","","0.1106","0.1373","","","","","","1.011","","","","has coordinates","236650","2020-10-21","18:00:00",""
"8000356","6.1071","0.0002","7.0985","0.0002","10.6748","0.0002","90","","95.017","0.002","90","","460.99","0.02","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H19 Co N2 O5 -","- C14 H19 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0527","0.0501","","","0.1293","0.1316","","","","","","1.055","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000357","6.1054","0.0005","7.0878","0.0008","10.6638","0.0006","90","","95.094","0.007","90","","459.64","0.07","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0786","0.068","","","0.1663","0.1719","","","","","","1.116","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000358","6.1006","0.0002","7.0942","0.0002","10.6767","0.0002","90","","95.052","0.002","90","","460.28","0.02","273","","273","","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0536","0.0498","","","0.1254","0.1286","","","","","","1.064","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000359","6.0947","0.0002","7.0901","0.0002","10.6768","0.0002","90","","95.09","0.002","90","","459.55","0.02","250","2","250","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0539","0.0511","","","0.1306","0.1326","","","","","","1.093","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000360","6.0947","0.0001","7.0944","0.0001","10.6845","0.0002","90","","95.116","0.002","90","","460.139","0.013","230","2","230","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","1.5405","","","0.1043","0.1013","","","0.2647","0.2689","","","","","","1.068","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000361","6.0709","0.0005","7.0907","0.0005","10.6664","0.0007","89.559","0.005","95.237","0.006","92.593","0.006","456.77","0.06","220","2","220","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0874","0.0671","","","0.1544","0.1623","","","","","","0.979","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000362","6.0538","0.0005","7.0936","0.0005","10.6609","0.0007","89.535","0.005","95.383","0.006","93.181","0.006","455.09","0.06","210","2","210","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0825","0.0625","","","0.1445","0.1529","","","","","","0.982","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000363","6.047","0.0005","7.0945","0.0005","10.6587","0.0007","89.505","0.005","95.443","0.006","93.326","0.006","454.43","0.06","205","2","205","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0848","0.0655","","","0.1519","0.1603","","","","","","0.983","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000364","6.0405","0.0005","7.0949","0.0005","10.6576","0.0008","89.484","0.006","95.509","0.006","93.428","0.006","453.82","0.06","200","2","200","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0799","0.0612","","","0.1417","0.148","","","","","","0.998","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000365","6.0307","0.0006","7.097","0.0006","10.6526","0.0009","89.391","0.007","95.588","0.008","93.571","0.007","452.88","0.07","190","2","190","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0989","0.07","","","0.1591","0.1713","","","","","","0.967","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000366","6.0076","0.0005","7.0951","0.0005","10.6488","0.0007","89.126","0.005","95.853","0.006","93.642","0.006","450.6","0.06","160","2","160","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.075","0.0582","","","0.1288","0.1341","","","","","","0.97","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000367","5.9924","0.0005","7.0915","0.0005","10.6453","0.0007","88.987","0.005","96.008","0.006","93.603","0.006","448.97","0.06","130","2","130","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0747","0.0578","","","0.1295","0.135","","","","","","0.991","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000368","5.9793","0.0005","7.0877","0.0005","10.6426","0.0007","88.93","0.005","96.108","0.006","93.52","0.006","447.59","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0743","0.0578","","","0.1295","0.1348","","","","","","0.984","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000369","6.0764","0.0007","7.0959","0.0005","10.704","0.004","90","","95.196","0.017","90","","459.63","0.18","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H17 Co N2 O5 -","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2213","0.1941","","","0.4343","0.4739","","","","","","2.288","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000370","6.0655","0.0006","7.074","0.0006","10.725","0.011","90","","95.28","0.03","90","","458.2","0.5","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H20 Co N2 O5 -","- C14 H20 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1978","0.171","","","0.3964","0.4412","","","","","","1.793","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000371","6.0509","0.0006","7.0817","0.0007","10.657","0.01","90","","95.19","0.03","90","","454.8","0.4","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H16 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1567","0.1323","","","0.3184","0.3363","","","","","","1.396","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000372","6.006","0.002","7.0672","0.0008","10.657","0.006","89.92","0.02","95.2","0.06","92.71","0.02","450","0.3","296","2","293","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2342","0.1823","","","0.3995","0.4299","","","","","","1.543","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000373","5.9847","0.0014","7.0514","0.0017","10.628","0.005","90.03","0.04","95.46","0.03","93.21","0.02","445.8","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1964","0.1497","","","0.3563","0.3821","","","","","","1.307","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000374","5.9454","0.0012","7.058","0.002","10.616","0.005","90.27","0.04","95.74","0.06","94.245","0.016","442","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1399","0.1241","","","0.2996","0.3149","","","","","","1.349","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000375","5.958","0.006","7.069","0.003","10.669","0.006","90","0.09","95.21","0.17","92.76","0.06","447","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.3178","0.2571","","","0.5378","0.5806","","","","","","2.044","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000376","5.9012","0.0003","7.0666","0.0003","10.625","0.003","90.369","0.011","96.279","0.012","94.712","0.004","438.88","0.13","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2813","0.2116","","","0.4565","0.5278","","","","","","2.143","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000377","5.8752","0.0014","7.0561","0.0016","10.609","0.003","90.36","0.03","96.55","0.03","94.743","0.019","435.38","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2381","0.185","","","0.3976","0.43","","","","","","1.442","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000378","5.8426","0.0011","7.0452","0.0014","10.585","0.003","90.43","0.02","96.62","0.02","94.933","0.016","431.13","0.17","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2539","0.1898","","","0.4138","0.5033","","","","","","1.995","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000379","5.8059","0.0011","7.0187","0.0007","10.556","0.003","90.42","0.02","96.96","0.03","95.048","0.012","425.26","0.15","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2303","0.1713","","","0.3955","0.4355","","","","","","1.521","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000380","5.7562","0.001","6.9942","0.0013","10.529","0.004","90.32","0.03","97.38","0.03","95.055","0.015","418.69","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.176","0.1385","","","0.3299","0.3563","","","","","","1.309","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000381","5.73","0.002","6.986","0.003","10.533","0.009","89.56","0.05","97.77","0.05","95.04","0.03","416.1","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.3017","0.2494","","","0.5072","0.5613","","","","","","1.825","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000382","5.7216","0.0011","6.9763","0.0008","10.501","0.012","89.95","0.03","97.84","0.04","94.966","0.012","413.7","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2971","0.2433","","","0.5368","0.5804","","","","","","2.268","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000383","5.6799","0.0008","6.9641","0.0007","10.479","0.003","88.725","0.013","98.587","0.015","94.902","0.011","408.34","0.14","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1653","0.1587","","","0.3735","0.3847","","","","","","1.777","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000384","5.639","0.004","6.945","0.003","10.465","0.006","88.69","0.04","98.8","0.06","94.7","0.05","403.6","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2381","0.2052","","","0.4536","0.4837","","","","","","1.871","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000385","5.6089","0.0011","6.9221","0.0006","10.434","0.003","87.77","0.013","99.6","0.02","94.788","0.011","397.91","0.14","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1897","0.1866","","","0.4297","0.433","","","","","","2.18","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000386","5.571","0.003","6.8976","0.0008","10.411","0.004","87.263","0.018","100.31","0.04","94.672","0.019","392.1","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1677","0.1595","","","0.3833","0.3966","","","","","","1.948","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000387","6.115","0.005","7.1238","0.0011","10.661","0.019","90","","94.83","0.15","90","","462.8","0.9","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2117","0.1667","","","0.3775","0.4331","","","","","","1.501","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000388","5.744","0.003","6.981","0.004","10.557","0.016","90.04","0.1","97.92","0.1","94.77","0.04","417.8","0.7","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU-1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.347","0.2711","","","0.5372","0.5818","","","","","","1.795","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000389","16.3649","0.0007","33.5729","0.001","8.0898","0.0003","90","","97.21","0.004","90","","4409.5","0.3","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Cl I3 N4 O2 Pb -","- C40 H54 Cl I3 N4 O2 Pb -","- C160 H216 Cl4 I12 N16 O8 Pb4 -","4","1","","Véron, Anna C; Linden, Anthony; Leclaire, Nicolas A.; Roedern, Elsa; Hu, Shunbo; Ren, Wei; Rentsch, Daniel; Nüesch, Frank A","One-Dimensional Organic-Inorganic Hybrid Perovskite Incorporating Near-Infrared-Absorbing Cyanine Cations.","The journal of physical chemistry letters","2018","9","9","2438","2442","10.1021/acs.jpclett.8b00458","","","1.54184","CuKα","","0.0658","0.0519","","","0.1229","0.1324","","","","","","1.054","","","","has coordinates","236662","2020-10-21","18:00:00",""
"8000390","10.03872","0.00018","10.41729","0.00019","19.6956","0.0004","76.455","0.005","80.489","0.006","88.925","0.006","1974.45","0.09","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H23 Eu F9 N3 O6 S3 -","- C39 H23 Eu F9 N3 O6 S3 -","- C78 H46 Eu2 F18 N6 O12 S6 -","2","1","","Hashimoto, Yuichiro; Nakashima, Takuya; Yamada, Miku; Yuasa, Junpei; Rapenne, Gwénaël; Kawai, Tsuyoshi","Hierarchical Emergence and Dynamic Control of Chirality in a Photoresponsive Dinuclear Complex.","The journal of physical chemistry letters","2018","9","9","2151","2157","10.1021/acs.jpclett.8b00690","","","0.71075","MoKα","","0.0196","0.0189","","","0.0474","0.0493","","","","","","1.088","","","","has coordinates,has disorder","236664","2020-10-21","18:00:00",""
"8000391","34.557","0.003","22.3796","0.0019","32.859","0.003","90","","90","","90","","25412","4","160","","160","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C216 H144 Cu25 F36 P12 -","- C216 H144 Cu25 F36 P12 -","- C864 H576 Cu100 F144 P48 -","4","1","","Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou","Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.","The journal of physical chemistry letters","2019","10","20","6124","6128","10.1021/acs.jpclett.9b02297","","","0.71073","MoKα","","0.1692","0.0956","","","0.2458","0.2819","","","","","","0.984","","","","has coordinates","236666","2020-10-21","18:00:00",""
"8000392","34.5313","0.0012","22.4275","0.0009","32.5487","0.0014","90","","90","","90","","25207.4","1.7","170","","170","","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C216 H144 Au Cu24 F36 P12 -","- C216 H144 Au Cu24 F36 P12 -","- C864 H576 Au4 Cu96 F144 P48 -","4","1","","Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou","Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.","The journal of physical chemistry letters","2019","10","20","6124","6128","10.1021/acs.jpclett.9b02297","","","0.71073","MoKα","","0.1369","0.0758","","","0.1897","0.2154","","","","","","0.94","","","","has coordinates","236668","2020-10-21","18:00:00",""
"8000393","33.383","0.0009","38.6374","0.0011","39.1118","0.001","90","","90","","90","","50448","2","161","","161","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C216 H180 Au Cu24 P12 -","- C216 H180 Au Cu24 P12 -","- C1728 H1440 Au8 Cu192 P96 -","8","1","","Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou","Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.","The journal of physical chemistry letters","2019","10","20","6124","6128","10.1021/acs.jpclett.9b02297","","","0.71073","MoKα","","0.1036","0.0534","","","0.1259","0.1428","","","","","","0.97","","","","has coordinates","236670","2020-10-21","18:00:00",""
"8000394","35.5019","0.0005","16.1885","0.0002","33.0801","0.0005","90","","112.283","0.002","90","","17592.1","0.5","120","0.1","120","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C202 H181 N10 S -","- C202 H180.994 N10 S1.0064 -","- C808 H723.974 N40 S4.0256 -","4","0.5","","Zhou, Xuehong; Zhao, Manlin; Zhou, Jiadong; Liu, Linlin; Ma, Yuguang","Polarized Species in an Organic Semiconductor Laser.","The journal of physical chemistry letters","2019","10","24","7905","7909","10.1021/acs.jpclett.9b03198","","x-ray","1.54184","CuKα","","0.0568","0.0516","","","0.1528","0.1575","","","","","","1.031","","","","has coordinates,has disorder","246580","2020-10-21","18:00:00",""
"8000395","7.8696","0.0003","7.664","0.0002","22.6439","0.0007","90","","90","","90","","1365.71","0.08","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Br4 Cd F4 N2 -","- C4 H12 Br4 Cd F4 N2 -","- C16 H48 Br16 Cd4 F16 N8 -","4","0.5","","Luo, Binbin; Liang, Dehai; Sun, Shanshan; Xiao, Yonghong; Lian, Xin; Li, Xianli; Li, Ming-De; Huang, Xiao-Chun; Zhang, Jin Z.","Breaking Forbidden Transitions for Emission of Self-Trapped Excitons in Two Dimensional (F<sub>2</sub>CHCH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>CdBr<sub>4</sub> Perovskite through Pb Alloying.","The journal of physical chemistry letters","2020","11","1","199","205","10.1021/acs.jpclett.9b03213","","x-ray","1.54184","CuKα","","0.0383","0.0373","","","0.1067","0.108","","","","","","1.092","","","","has coordinates","246583","2020-10-21","18:00:00",""
"8000396","7.54153","0.00019","12.0777","0.0004","45.1161","0.0016","90","","90","","90","","4109.4","0.2","295.65","0.1","295.65","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 Cu4 I4 N4 -","- C32 H44 Cu4 I4 N4 -","- C128 H176 Cu16 I16 N16 -","4","1","","Yao, Li; Niu, Guangda; Li, Junze; Gao, Liang; Luo, Xufeng; Xia, Bing; Liu, Yuhao; Du, Peipei; Li, Dehui; Chen, Chao; Zheng, Youxuan; Xiao, Zewen; Tang, Jiang","Circularly Polarized Luminescence from Chiral Tetranuclear Copper(I) Iodide Clusters.","The journal of physical chemistry letters","2020","","","1255","1260","10.1021/acs.jpclett.9b03478","","x-ray","1.54184","CuKα","","0.0551","0.0418","","","0.0992","0.108","","","","","","1.016","","","","has coordinates","247448","2020-10-21","18:00:00",""
"8000397","7.54722","0.00004","12.06809","0.00005","45.0822","0.0002","90","","90","","90","","4106.11","0.03","294.7","0.2","294.7","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 Cu4 I4 N4 -","- C32 H44 Cu4 I4 N4 -","- C128 H176 Cu16 I16 N16 -","4","1","","Yao, Li; Niu, Guangda; Li, Junze; Gao, Liang; Luo, Xufeng; Xia, Bing; Liu, Yuhao; Du, Peipei; Li, Dehui; Chen, Chao; Zheng, Youxuan; Xiao, Zewen; Tang, Jiang","Circularly Polarized Luminescence from Chiral Tetranuclear Copper(I) Iodide Clusters.","The journal of physical chemistry letters","2020","","","1255","1260","10.1021/acs.jpclett.9b03478","","x-ray","1.54178","CuKα","","0.0298","0.0295","","","0.0738","0.074","","","","","","1.095","","","","has coordinates","247449","2020-10-21","18:00:00",""
"8000398","7.5502","0.0001","15.2672","0.0001","30.9195","0.00007","80.2982","0.0007","89.4414","0.0007","87.9701","0.0007","3510.9","0.05","50","","50","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C160 H80 Cl16 N16 O8 S16 -","4","2","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","1","synchrotron","","0.053","0.0484","","","0.1494","0.1526","","","","","","1.106","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000399","7.1738","0.0001","7.6722","0.0001","21.6585","0.0007","96.19","0.0007","98.569","0.0007","92.3536","0.0007","1169.9","0.04","50","","50","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","1","0.5","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","1","synchrotron","","0.0613","0.0561","","","0.1718","0.1769","","","","","","1.125","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000400","7.6289","0.0004","7.701","0.0004","30.698","0.0017","85.794","0.0008","89.5306","0.0009","88.5438","0.0009","1798.04","0.17","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.052","0.0411","","","0.1024","0.1089","","","","","","1.053","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000401","7.6555","0.0005","7.6969","0.0005","15.9629","0.001","98.1455","0.001","93.3158","0.0009","92.2872","0.001","928.44","0.1","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","1","0.5","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0359","0.0298","","","0.0807","0.0859","","","","","","1.032","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000402","7.5809","0.0006","15.1973","0.0012","17.0179","0.0014","67.017","0.001","82.633","0.001","87.047","0.001","1790.1","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","- C76 H32 Cl16 O8 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0315","0.0246","","","0.0669","0.0709","","","","","","1.046","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000403","7.3358","0.0008","7.7383","0.0008","21.822","0.002","96.2006","0.0016","98.4849","0.0017","93.0166","0.0017","1215.1","0.2","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","1","0.5","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0383","0.0326","","","0.0871","0.0917","","","","","","1.027","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000404","7.5963","0.0004","7.6826","0.0004","30.6464","0.0017","85.5932","0.0008","89.6875","0.0009","88.448","0.0008","1782.55","0.16","250","","250","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0439","0.0375","","","0.0903","0.094","","","","","","1.068","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000405","7.5923","0.0004","7.6803","0.0004","30.6429","0.0017","85.5655","0.0008","89.7179","0.0009","88.4239","0.0008","1780.79","0.16","240","","240","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0424","0.0362","","","0.0877","0.0912","","","","","","1.077","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000406","7.5852","0.0005","7.6749","0.0005","30.624","0.0018","85.5563","0.0009","89.7552","0.001","88.3859","0.0009","1776.7","0.2","230","","230","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0415","0.036","","","0.0863","0.0892","","","","","","1.086","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000407","7.5797","0.0004","7.6692","0.0004","30.6092","0.0017","85.6093","0.0008","89.79","0.0009","88.3051","0.0008","1773.32","0.16","220","","220","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0408","0.0356","","","0.0859","0.089","","","","","","1.082","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000408","7.5747","0.0004","7.6588","0.0004","30.5803","0.0016","85.7079","0.0008","89.8361","0.0009","88.1942","0.0008","1768.2","0.16","210","","210","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0404","0.0355","","","0.0851","0.0881","","","","","","1.072","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000409","7.5681","0.0004","7.6518","0.0004","30.5589","0.0016","85.7256","0.0008","89.8676","0.0009","88.1423","0.0008","1763.8","0.16","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0391","0.0347","","","0.0832","0.0859","","","","","","1.07","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000410","7.5454","0.0004","7.6338","0.0004","30.5119","0.0016","85.5906","0.0007","89.9846","0.0008","88.0361","0.0008","1751.25","0.16","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0349","0.0317","","","0.0755","0.0776","","","","","","1.079","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000411","7.531","0.0004","15.22","0.0008","30.7947","0.0016","80.415","0.001","89.44","0.001","88.111","0.001","3478.5","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C160 H80 Cl16 N16 O8 S16 -","4","2","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0416","0.0355","","","0.0934","0.0971","","","","","","1.047","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000412","7.6224","0.0005","7.6188","0.0006","15.8758","0.0012","97.7456","0.0012","93.2272","0.0012","92.4714","0.0012","910.9","0.12","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","1","0.5","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0294","0.0249","","","0.0641","0.0669","","","","","","1.04","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000413","7.6001","0.0005","15.2128","0.0011","17.0597","0.0012","67.0648","0.0011","82.4814","0.0012","87.1754","0.0012","1800.9","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","- C76 H32 Cl16 O8 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0375","0.0277","","","0.0725","0.0783","","","","","","1.029","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000414","7.1814","0.0006","7.674","0.0006","21.6396","0.0017","96.108","0.001","98.58","0.001","92.34","0.001","1170.57","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","1","0.5","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0262","0.0248","","","0.0651","0.0661","","","","","","1.035","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000415","7.3855","0.0002","9.2351","0.0003","24.6276","0.0008","90","","90","","90","","1679.75","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O5 -","- C18 H19 N O6 -","- C72 H76 N4 O24 -","4","1","","Xue, Shixin; Zhang, Nan; Hu, Xiaoling; Zeng, Yongfei; Zhang, Jingbo; Xing, Pengyao; Zhao, Yanli","Self-Assembly Evolution of <i>N</i>-Terminal Aromatic Amino Acids with Transient Supramolecular Chirality.","The journal of physical chemistry letters","2020","11","4","1490","1496","10.1021/acs.jpclett.0c00033","","","1.54178","CuKα","","0.0324","0.0315","","","0.0777","0.0787","","","","","","1.083","","","","has coordinates","248718","2020-10-21","18:00:00",""
"8000416","14.341","0.0005","14.341","0.0005","14.341","0.0005","90","","90","","90","","2949.43","0.18","348","2","348","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C16 H0 B8 F32 N5.33 Rb2.67 -","- C16 B8 F32 N5.33387 Rb2.66667 -","- C48 B24 F96 N16.0016 Rb8 -","3","0.015625","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.0543","0.0514","","","0.131","0.134","","","","","","1.167","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8000417","14.2205","0.0003","14.2205","0.0003","14.2205","0.0003","90","","90","","90","","2875.71","0.11","273","2","273","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C6 H18 B3 F12 N3 -","- C6 H18 B3 F12 N3 -","- C48 H144 B24 F96 N24 -","8","0.333333","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.0386","0.0338","","","0.0881","0.0907","","","","","","1.09","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8000418","14.3006","0.0004","14.3006","0.0004","14.3006","0.0004","90","","90","","90","","2924.58","0.14","358","2","358","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C48 H0 B24 F96 N24 -","- C48 B24 F96 N24.0016 -","- C48 B24 F96 N24.0016 -","1","0.00520833","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.1324","0.1303","","","0.488","0.4938","","","","","","1.228","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8000419","14.2492","0.0002","14.2492","0.0002","14.2492","0.0002","90","","90","","90","","2893.15","0.07","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C6 H14 B3 F12 N2 Rb -","- C6 H14 B3 F12 N2 Rb -","- C48 H112 B24 F96 N16 Rb8 -","8","0.333333","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.0832","0.0528","","","0.1153","0.1275","","","","","","1.082","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8000420","24.8035","0.0006","7.9768","0.0002","14.8847","0.0003","90","","121.21","0.002","90","","2518.76","0.11","298.5","","298.5","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 Cl8 N4 Sn -","- C12 H32 Cl8 N4 Sn -","- C48 H128 Cl32 N16 Sn4 -","4","0.5","","Song, Gaomin; Li, Mingze; Yang, Yi; Liang, Fei; Huang, Qian; Liu, Xiaomeng; Gong, Pifu; Xia, Zhiguo; Lin, Zheshuai","Lead-Free Tin(IV)-Based Organic-Inorganic Metal Halide Hybrids with Excellent Stability and Blue-Broadband Emission.","The journal of physical chemistry letters","2020","","","1808","1813","10.1021/acs.jpclett.0c00096","","","0.71073","MoKα","","0.0229","0.0206","","","0.0472","0.048","","","","","","1.048","","","","has coordinates","248715","2020-10-21","18:00:00",""
"8000421","13.6905","0.0009","19.3639","0.0013","28.2678","0.0019","90","","97.376","0.002","90","","7431.8","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C67.28 H51.67 Cl1.19 N4 O12.68 Zn -","- C67.2725 H51.6405 Cl1.198 N4 O12.6735 Zn -","- C269.09 H206.562 Cl4.792 N16 O50.694 Zn4 -","4","2","","Margarit, Charles G.; Asimow, Naomi G.; Gonzalez, Miguel I.; Nocera, Daniel G.","Double Hangman Iron Porphyrin and the Effect of Electrostatic Nonbonding Interactions on Carbon Dioxide Reduction.","The journal of physical chemistry letters","2020","","","1890","1895","10.1021/acs.jpclett.9b03897","","","0.71073","MoKα","","0.0905","0.0755","","","0.2128","0.2286","","","","","","1.052","","","","has coordinates,has disorder","248716","2020-10-21","18:00:00",""
"8000422","25.5422","0.0007","10.3454","0.0005","34.6772","0.0012","90","","90","","90","","9163.3","0.6","99.9","0.3","99.9","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H18 Cu3 N9 -","- C24 H18 Cu3 N9 -","- C384 H288 Cu48 N144 -","16","4","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","1.54184","CuKα","","0.0856","0.0677","","","0.1839","0.232","","","","","","1.033","","","","has coordinates","248623","2020-10-21","18:00:00",""
"8000423","25.6853","0.0011","10.4956","0.0003","35.037","0.002","90","","90","","90","","9445.4","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C96 H73 Cu12 N36 -","- C96 H73 Cu12 N36 -","- C384 H292 Cu48 N144 -","4","1","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","1.54184","CuKα","","0.1347","0.059","","","0.0854","0.1196","","","","","","0.971","","","","has coordinates","248623","2020-10-21","18:00:00",""
"8000424","11.592","0.0002","8.3296","0.0001","25.2621","0.0004","90","","102.944","0.002","90","","2377.24","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Ag6 N18 -","- C48 H36 Ag6 N18 -","- C96 H72 Ag12 N36 -","2","0.5","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","0.71073","MoKα","","0.0307","0.0274","","","0.0709","0.0725","","","","","","1.155","","","","has coordinates","248623","2020-10-21","18:00:00",""
"8000425","11.5674","0.0005","8.5459","0.0004","25.4385","0.0013","90","","103.077","0.005","90","","2449.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Ag6 N18 -","- C48 H36 Ag6 N18 -","- C96 H72 Ag12 N36 -","2","0.5","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","0.71073","MoKα","","0.0984","0.0449","","","0.058","0.0759","","","","","","1.011","","","","has coordinates","248623","2020-10-21","18:00:00",""
"8000426","7.1324","0.0001","18.7836","0.0002","18.9897","0.0002","89.437","0.001","79.51","0.001","88.405","0.001","2500.57","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H48 Cu6 N18 O3 -","- C51 H48 Cu6 N18 O3 -","- C102 H96 Cu12 N36 O6 -","2","1","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","","1.54178","CuKα","","0.0463","0.0432","","","0.1214","0.1237","","","","","","1.057","","","","has coordinates,has disorder","248623","2020-10-21","18:00:00",""
"8000427","7.214","0.0004","18.8723","0.0005","19.0253","0.0005","89.557","0.002","80.608","0.004","89.749","0.004","2555.38","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 Cu3 N9 -","- C24 H18 Cu3 N9 -","- C96 H72 Cu12 N36 -","4","2","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","1.54184","CuKα","","0.0553","0.0453","","","0.1351","0.141","","","","","","1.08","","","","has coordinates,has disorder","248623","2020-10-21","18:00:00",""
"8000428","8.4804","0.0002","24.4406","0.0006","7.9107","0.0002","90","","90","","90","","1639.62","0.07","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H20 Br4 N2 Pb -","- C8 H20 Br4 N2 Pb -","- C32 H80 Br16 N8 Pb4 -","4","0.5","","Su, Binbin; Molokeev, Maxim S.; Xia, Zhiguo","Unveiling Mn<sup>2+</sup> Dopant States in Two-Dimensional Halide Perovskite toward Highly Efficient Photoluminescence.","The journal of physical chemistry letters","2020","11","7","2510","2517","10.1021/acs.jpclett.0c00593","","","1.54184","CuKα","","0.0302","0.0299","","","0.0861","0.0863","","","","","","1.095","","","","has coordinates","250119","2020-10-21","18:00:00",""
"8000429","9.6818","0.0002","15.8107","0.0003","26.3785","0.0004","90","","90","","90","","4037.92","0.13","172.99","0.1","172.99","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C21 H21 Cl2 Fe N O3 -","- C21 H21 Cl2 Fe N O3 -","- C168 H168 Cl16 Fe8 N8 O24 -","8","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","x-ray","1.54184","CuKα","","0.0632","0.0569","","","0.1594","0.1754","","","","","","1.142","","","","has coordinates","252623","2020-10-21","18:00:00",""
"8000430","11.0166","0.0002","12.3581","0.0003","22.5772","0.0006","90","","90","","90","","3073.76","0.12","173","0.1","173","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Cl2 Fe N2 O6 -","- C31 H30 Cl2 Fe N2 O6 -","- C124 H120 Cl8 Fe4 N8 O24 -","4","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","x-ray","1.54184","CuKα","","0.1566","0.1435","","","0.3263","0.335","","","","","","1.117","","","","has coordinates,has disorder","252623","2020-10-21","18:00:00",""
"8000431","11.0155","0.0002","12.3587","0.0003","22.5754","0.0005","90","","90","","90","","3073.35","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Cl2 Fe N2 O6 -","- C31 H30 Cl2 Fe N2 O6 -","- C124 H120 Cl8 Fe4 N8 O24 -","4","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","","1.54178","CuKα","","0.1411","0.1365","","","0.3295","0.3326","","","","","","1.088","","","","has coordinates","252623","2020-10-21","18:00:00",""
"8000432","9.6682","0.0001","15.8378","0.0002","26.3801","0.0003","90","","90","","90","","4039.4","0.08","172.99","0.1","172.99","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C21 H21 Cl2 Fe N O3 -","- C21 H21 Cl2 Fe N O3 -","- C168 H168 Cl16 Fe8 N8 O24 -","8","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","x-ray","1.54184","CuKα","","0.0401","0.0382","","","0.1115","0.1146","","","","","","1.13","","","","has coordinates","252623","2020-10-21","18:00:00",""
"8000433","26.564","0.002","26.692","0.002","33.045","0.003","90","","106.652","0.005","90","","22448","3","170","2","170.03","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C788 H832 Cu44 F48 P24 S36 Sb8 -","- C788 H832 Cu44 F48 P24 S36 Sb8 -","- C788 H832 Cu44 F48 P24 S36 Sb8 -","1","0.25","","Li, Hao; Zhai, Hongsheng; Zhou, Chuanjun; Song, Yongbo; Ke, Feng; Xu, Wen Wu; Zhu, Manzhou","Atomically Precise Copper Cluster with Intensely Near-Infrared Luminescence and Its Mechanism.","The journal of physical chemistry letters","2020","11","12","4891","4896","10.1021/acs.jpclett.0c01358","","","1.3418","GaKα","","0.2808","0.1973","","","0.4676","0.5036","","","","","","1.342","","","","has coordinates","253751","2020-10-21","18:00:00",""
"8000434","5.4967","0.0003","13.8112","0.0006","19.849","0.0009","90","","90","","90","","1506.86","0.13","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(4-Iodobenzyl)-9H-Carbazole","9-(4-Iodobenzyl)-9H-Carbazole","","- C19 H14 I N -","- C19 H14 I N -","- C76 H56 I4 N4 -","4","1","","Sun, Huili; Ding, Riqing; Lv, Shanling; Zhou, Shasha; Guo, Sidan; Qian, Zhaosheng; Feng, Hui","Clustering-Triggered Ultralong Room-Temperature Phosphorescence of Organic Crystals through Halogen-Mediated Molecular Assembly.","The journal of physical chemistry letters","2020","11","13","4962","4969","10.1021/acs.jpclett.0c01272","","","0.71073","MoKα","","0.0328","0.0274","","","0.0616","0.0656","","","","","","1.046","","","","has coordinates","253750","2020-10-21","18:00:00",""
"8000435","5.5364","0.0006","13.6786","0.0014","19.513","0.002","90","","90","","90","","1477.7","0.3","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(4-bromobenzyl)-9H-carbazole","9-(4-bromobenzyl)-9H-carbazole","","- C19 H14 Br N -","- C19 H14 Br N -","- C76 H56 Br4 N4 -","4","1","","Sun, Huili; Ding, Riqing; Lv, Shanling; Zhou, Shasha; Guo, Sidan; Qian, Zhaosheng; Feng, Hui","Clustering-Triggered Ultralong Room-Temperature Phosphorescence of Organic Crystals through Halogen-Mediated Molecular Assembly.","The journal of physical chemistry letters","2020","11","13","4962","4969","10.1021/acs.jpclett.0c01272","","","0.71073","MoKα","","0.0457","0.0312","","","0.071","0.0766","","","","","","1.021","","","","has coordinates","253750","2020-10-21","18:00:00",""
"8000436","8.4897","0.0006","10.6452","0.0006","30.8917","0.0019","90","","90","","90","","2791.8","0.3","100","2","100.05","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H16 F N O2 -","- C17 H16 F N O2 -","- C136 H128 F8 N8 O16 -","8","1","","Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu","Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media.","The journal of physical chemistry letters","2020","","","5433","5438","10.1021/acs.jpclett.0c01545","","","0.71073","MoKα","","0.0672","0.0541","","","0.1375","0.1457","","","","","","1.063","","","","has coordinates","253500","2020-10-21","18:00:00",""
"8000437","15.4183","0.0016","12.1852","0.0012","7.8546","0.0008","90","","104.549","0.004","90","","1428.4","0.3","216","","216","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2.34 H2.21 F0.14 N0.14 O0.28 -","- C2.34483 H2.2069 F0.137931 N0.137931 O0.275862 -","- C68 H64 F4 N4 O8 -","29","7.25","","Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu","Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media.","The journal of physical chemistry letters","2020","","","5433","5438","10.1021/acs.jpclett.0c01545","","","0.71073","MoKα","","0.1168","0.0673","","","0.1864","0.2464","","","","","","1.1","","","","has coordinates","253501","2020-10-21","18:00:00",""
"8000438","10.913","0.0007","11.7943","0.0007","11.5984","0.0006","90","","111.525","0.002","90","","1388.73","0.14","104","2","104.04","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F N O2 -","- C17 H16 F N O2 -","- C68 H64 F4 N4 O8 -","4","1","","Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu","Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media.","The journal of physical chemistry letters","2020","","","5433","5438","10.1021/acs.jpclett.0c01545","","","0.71073","MoKα","","0.1079","0.0849","","","0.2365","0.2662","","","","","","1.04","","","","has coordinates","253502","2020-10-21","18:00:00",""
"8000439","11.0806","0.0001","15.6633","0.0001","23.814","0.0002","90","","96.483","0.001","90","","4106.7","0.06","123.01","0.1","123","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80.5 H85 Cl7 F10 Ir2 N6 O2 S2 -","- C80.5 H85 Cl7 F10 Ir2 N6 O2 S2 -","- C161 H170 Cl14 F20 Ir4 N12 O4 S4 -","2","0.5","","Shafikov, Marsel Z.; Zaytsev, Andrey V.; Suleymanova, Alfiya F.; Brandl, Fabian; Kowalczyk, Aleksandra; Gapińska, Magdalena; Kowalski, Konrad; Kozhevnikov, Valery N.; Czerwieniec, Rafał","Near Infrared Phosphorescent Dinuclear Ir(III) Complex Exhibiting Unusually Slow Intersystem Crossing and Dual Emissive Behavior.","The journal of physical chemistry letters","2020","","","5849","5855","10.1021/acs.jpclett.0c01276","","","1.54184","CuKα","","0.0312","0.0292","","","0.0831","0.0847","","","","","","1.067","","","","has coordinates,has disorder","254782","2020-10-21","18:00:00",""
"8000440","9.5732","0.0004","9.1568","0.0004","15.2531","0.0007","90","","94.935","0.002","90","","1332.13","0.1","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.6 N2 Zn0.4 -","- C20 H32 Br4 Mn0.6 N2 Zn0.4 -","- C40 H64 Br8 Mn1.2 N4 Zn0.8 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.18","1.33","","","","","","","has coordinates","254284","2020-10-21","18:00:00",""
"8000441","9.5764","0.0005","9.1603","0.0004","15.2625","0.0007","90","","94.924","0.003","90","","1333.93","0.11","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.8 N2 Zn0.2 -","- C20 H32 Br4 Mn0.8 N2 Zn0.2 -","- C40 H64 Br8 Mn1.6 N4 Zn0.4 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.31","1.46","","","","","","","has coordinates","254285","2020-10-21","18:00:00",""
"8000442","9.552","0.0002","9.134","0.0002","15.2067","0.0003","90","","94.953","0.0014","90","","1321.8","0.05","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 N2 Zn -","- C20 H32 Br4 N2 Zn -","- C40 H64 Br8 N4 Zn2 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.07","1.86","","","","","","","has coordinates","254286","2020-10-21","18:00:00",""
"8000443","9.59257","0.00035","9.17931","0.00031","15.29408","0.00049","90","","94.8868","0.0019","90","","1341.8","0.08","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn N2 -","- C20 H32 Br4 Mn N2 -","- C40 H64 Br8 Mn2 N4 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.56","1.704","","","","","","","has coordinates","254287","2020-10-21","18:00:00",""
"8000444","9.5593","0.0004","9.1402","0.0003","15.2225","0.0006","90","","94.958","0.002","90","","1325.07","0.09","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.2 N2 Zn0.8 -","- C20 H32 Br4 Mn0.2 N2 Zn0.8 -","- C40 H64 Br8 Mn0.4 N4 Zn1.6 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.17","1.33","","","","","","","has coordinates","254288","2020-10-21","18:00:00",""
"8000445","9.5667","0.0004","9.1487","0.0003","15.2381","0.0006","90","","94.949","0.002","90","","1328.71","0.09","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.4 N2 Zn0.6 -","- C20 H32 Br4 Mn0.4 N2 Zn0.6 -","- C40 H64 Br8 Mn0.8 N4 Zn1.2 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.12","1.28","","","","","","","has coordinates","254289","2020-10-21","18:00:00",""
"8000446","25.1222","0.001","14.9693","0.0006","40.2014","0.0019","90","","99.435","0.003","90","","14913.7","1.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 Ag5.26 Au24.74 S18 -","- C60 Ag5.27 Au24.73 S18 -","- C240 Ag21.08 Au98.92 S72 -","4","1","","Wijesinghe, Kalpani Hirunika; Sakthivel, Naga Arjun; Jones, Tanya; Dass, Amala","Crystal Structure of Au<sub>30-<i>x</i></sub>Ag<sub> <i>x</i> </sub>(S-<i>t</i>Bu)<sub>18</sub> and Effect of the Ligand on Ag Alloying in Gold Nanomolecules.","The journal of physical chemistry letters","2020","","","6312","6319","10.1021/acs.jpclett.0c01330","","","0.7293","synchrotron","","0.1518","0.1176","","","0.2819","0.3089","","","","","","1.063","","","","has coordinates,has disorder","254783","2020-10-21","18:00:00",""
"8000447","8.722","0.003","8.726","0.003","22.533","0.008","97.604","0.016","93.482","0.011","90.36","0.02","1696.5","1","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H30 I7 N3 Pb2 -","- C17 H30 I7 N3 Pb2 -","- C34 H60 I14 N6 Pb4 -","2","1","","Morrow, Darien J.; Hautzinger, Matthew P.; Lafayette, David P.; Scheeler, Jason M.; Dang, Lianna; Leng, Meiying; Kohler, Daniel D.; Wheaton, Amelia M.; Fu, Yongping; Guzei, Ilia A.; Tang, Jiang; Jin, Song; Wright, John C.","Disentangling Second Harmonic Generation from Multiphoton Photoluminescence in Halide Perovskites using Multidimensional Harmonic Generation.","The journal of physical chemistry letters","2020","","","6551","6559","10.1021/acs.jpclett.0c01720","","x-ray","0.71073","MoKα","K-L~3~","0.1237","0.0644","","","0.1229","0.1412","","","","","","1.014","","","","has coordinates,has disorder","257159","2020-10-21","18:00:00",""
"8000448","15.2662","0.0005","51.5233","0.0015","17.4781","0.0005","90","","90.777","0.002","90","","13746.4","0.7","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H162 Ag2.68 Au27.31 S18 -","- C72 H162 Ag2.68 Au27.32 S18 -","- C288 H648 Ag10.72 Au109.28 S72 -","4","1","","Li, Yingwei; Taylor, Michael G.; Luo, Tian-Yi; Song, Yongbo; Rosi, Nathaniel L.; Mpourmpakis, Giannis; Jin, Rongchao","Heteroatom Tracing Reveals the 30-Atom Au-Ag Bimetallic Nanocluster as a Dimeric Structure.","The journal of physical chemistry letters","2020","11","17","7307","7312","10.1021/acs.jpclett.0c01977","","x-ray","1.54178","CuKα","","0.1152","0.0865","","","0.1961","0.2107","","","","","","1.079","","","","has coordinates,has disorder","255878","2020-10-21","18:00:00",""
"8000449","3.9649","0.0002","5.7919","0.0004","25.7992","0.0016","90","","90","","90","","592.46","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","potassium 2-furoate","furan-2-carboxylic acid, potassium salt (1:1)","","- C5 H3 K O3 -","- C5 H3 K O3 -","- C20 H12 K4 O12 -","4","1","","Frankhouser, Amy D.; Kanan, Matthew W.","Phase Behavior That Enables Solvent-Free Carbonate-Promoted Furoate Carboxylation.","The journal of physical chemistry letters","2020","","","7544","7551","10.1021/acs.jpclett.0c02210","","x-ray","0.71073","MoKα","","0.0355","0.029","","","0.0552","0.0572","","","","","","1.079","","","","has coordinates","255698","2020-10-21","18:00:00",""
"8000450","15.7472","0.0004","16.9033","0.0007","18.0345","0.0007","64.976","0.004","73.853","0.003","84.654","0.003","4176.6","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C94 H82 N4 O2 S4 -","- C94 H82 N4 O2 S4 -","- C188 H164 N8 O4 S8 -","2","1","","Zhou, Jiadong; Wen, Xinbo; Tang, Ningning; Zhou, Xuehong; Wang, Cong; Zheng, Nan; Liu, Linlin; Xie, Zengqi","Ultrafast and Long-Range Exciton Migration through Anisotropic Coulombic Coupling in the Textured Films of Fused-Ring Electron Acceptors.","The journal of physical chemistry letters","2020","11","18","7908","7913","10.1021/acs.jpclett.0c02569","","x-ray","1.54184","CuKα","","0.0916","0.0573","","","0.1367","0.1508","","","","","","1.037","","","","has coordinates","257162","2020-10-21","18:00:00",""
"8000451","16.1196","0.0003","16.1196","0.0003","17.5219","0.0006","90","","90","","90","","4552.9","0.2","143","2","143","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C72 H64 Mn4 N40 O12 -","- C72 H64 Mn4 N40 O12 -","- C144 H128 Mn8 N80 O24 -","2","0.25","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1414","0.126","","","0.2778","0.2839","","","","","","1.012","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000452","11.5389","0.0005","11.5389","0.0005","17.7377","0.0016","90","","90","","90","","2361.7","0.3","293","2","293","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C44 H0 Mn2 N22 O8 -","- C44 Mn2 N22 O8 -","- C88 Mn4 N44 O16 -","2","0.0625","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1396","0.1296","","","0.2698","0.2719","","","","","","1.097","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000453","11.6357","0.0006","12.2736","0.0006","16.6608","0.0007","90","","90","","90","","2379.4","0.2","282","2","282","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H Mn N10 O -","- C18 H Mn N10 O -","- C72 H4 Mn4 N40 O4 -","4","1","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.0804","0.0623","","","0.1837","0.1943","","","","","","1.085","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000454","11.1875","0.0006","12.4566","0.0006","16.4477","0.0008","90","","90","","90","","2292.1","0.2","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H0 Mn2 N20 O2 -","- C36 Mn2 N20 O2 -","- C72 Mn4 N40 O4 -","2","0.5","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1107","0.1027","","","0.2954","0.3039","","","","","","1.143","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000455","11.6485","0.0006","12.2688","0.0005","16.6697","0.0007","90","","90","","90","","2382.32","0.19","301","2","301","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C18 H8 Mn N10 O -","- C18 H8 Mn N10 O -","- C72 H32 Mn4 N40 O4 -","4","0.5","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1431","0.1372","","","0.3015","0.3036","","","","","","1.098","","","","has coordinates,has disorder","257161","2020-10-21","18:00:00",""
"8000456","11.7122","0.0003","13.4138","0.0003","16.8162","0.0004","90","","103.261","0.002","90","","2571.46","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O7 Zn2 -","- C26 H26 N2 O7 Zn2 -","- C104 H104 N8 O28 Zn8 -","4","1","","Takimoto, Kazuyoshi; Ishihara, Shinsuke; Labuta, Jan; Březina, Václav; Payne, Daniel T.; Hill, Jonathan P.; Ariga, Katsuhiko; Sumita, Masato; Mori, Shigeki; Sato, Hisako","Enantiomeric Excess Dependent Splitting of NMR Signal through Dynamic Chiral Inversion and Coligand Exchange in a Coordination Complex.","The journal of physical chemistry letters","2020","11","19","8164","8169","10.1021/acs.jpclett.0c02284","","","0.71073","MoKα","","0.0445","0.0363","","","0.0791","0.0831","","","","","","1.036","","","","has coordinates","257160","2020-10-21","18:00:00",""
"8000457","15.198","0.0009","13.1294","0.0008","7.7881","0.0005","90","","98.169","0.003","90","","1538.27","0.16","148.04","","148.04","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N3 O -","- C16 H16 Cl N3 O -","- C64 H64 Cl4 N12 O4 -","4","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.131","0.0668","","","0.1497","0.1904","","","","","","1.045","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8000458","11.3576","0.001","8.0121","0.0006","67.179","0.006","90","","90","","90","","6113.2","0.9","100","2","99.98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H32 Cl2 N6 O2 -","- C32 H32 Cl2 N6 O2 -","- C256 H256 Cl16 N48 O16 -","8","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.0839","0.079","","","0.1588","0.1607","","","","","","1.246","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8000459","15.5657","0.0008","6.4012","0.0003","17.6685","0.0009","90","","102.526","0.002","90","","1718.57","0.15","297.8","","297.8","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl N3 O2 -","- C17 H20 Cl N3 O2 -","- C68 H80 Cl4 N12 O8 -","4","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.1001","0.048","","","0.0972","0.1214","","","","","","1.016","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8000460","15.7804","0.0008","6.3813","0.0003","18.8376","0.001","90","","107.348","0.002","90","","1810.65","0.16","297.8","","297.8","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl N3 O2 -","- C18 H22 Cl N3 O2 -","- C72 H88 Cl4 N12 O8 -","4","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.0955","0.0464","","","0.0995","0.1247","","","","","","1.015","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8000461","14.9915","0.0014","6.3912","0.0005","20.0914","0.0018","90","","105.829","0.004","90","","1852","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cl N3 O2 -","- C19 H24 Cl N3 O2 -","- C76 H96 Cl4 N12 O8 -","4","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.0953","0.0594","","","0.1271","0.1423","","","","","","1.068","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8000462","6.6837","0.0003","21.6852","0.0009","27.8092","0.0012","90","","90","","90","","4030.6","0.3","296","2","296","2","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","","","- C72 H68 F24 N6 O20 P4 -","- C72 H52 F24 N6 O20 P4 -","- C144 H104 F48 N12 O40 P8 -","2","0.25","","Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song","Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties.","The journal of physical chemistry letters","2020","","","9282","9288","10.1021/acs.jpclett.0c02690","","","0.71073","MoKα","","0.1648","0.0861","","","0.2477","0.3098","","","","","","1.026","","","","has coordinates","258567","2020-10-22","23:45:19",""
"8000463","28.005","0.004","6.9983","0.0008","14.0177","0.0017","90","","119.983","0.006","90","","2379.6","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 F8 N2 O4 -","- C24 H18 B2 F8 N2 O4 -","- C96 H72 B8 F32 N8 O16 -","4","0.5","","Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song","Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties.","The journal of physical chemistry letters","2020","","","9282","9288","10.1021/acs.jpclett.0c02690","","","0.71073","MoKα","","0.1154","0.0528","","","0.1346","0.1731","","","","","","1.029","","","","has coordinates,has disorder","258568","2020-10-22","23:45:50",""
"8000464","6.8623","0.0004","12.6219","0.001","15.1424","0.0012","74.772","0.007","82.398","0.005","76.727","0.006","1228.08","0.16","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Br2 N2 O5 -","- C25 H22 Br2 N2 O5 -","- C50 H44 Br4 N4 O10 -","2","1","","Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song","Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties.","The journal of physical chemistry letters","2020","","","9282","9288","10.1021/acs.jpclett.0c02690","","","0.71073","MoKα","","0.051","0.0355","","","0.1035","0.1179","","","","","","0.671","","","","has coordinates,has disorder","258569","2020-10-22","23:46:22",""
"8000465","6.6806","0.0003","20.8364","0.0009","27.965","0.0012","90","","90","","90","","3892.7","0.3","296","2","296","2","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C72 H68 Cl4 N6 O36 -","- C72 H68 Cl3.996 N6 O35.984 -","- C144 H136 Cl7.992 N12 O71.968 -","2","0.25","","Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song","Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties.","The journal of physical chemistry letters","2020","","","9282","9288","10.1021/acs.jpclett.0c02690","","","0.71073","MoKα","","0.1726","0.0909","","","0.231","0.276","","","","","","1.074","","","","has coordinates,has disorder","258570","2020-10-22","23:46:51",""
"8000466","10.2996","0.0001","26.3489","0.0002","22.2194","0.0002","90","","92.337","0.001","90","","6024.96","0.09","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H74 Br9 In N6 O -","- C48 H74 Br9 In N6 O -","- C192 H296 Br36 In4 N24 O4 -","4","2","","Li, Zhongyuan; Song, Gaomin; Li, Ye; Wang, Le; Zhou, Tianliang; Lin, Zheshuai; Xie, Rong-Jun","Realizing Tunable White Light Emission in Lead-Free Indium(III) Bromine Hybrid Single Crystals through Antimony(III) Cation Doping.","The journal of physical chemistry letters","2020","11","23","10164","10172","10.1021/acs.jpclett.0c03079","","x-ray","1.54184","CuKα","","0.0418","0.0362","","","0.0867","0.0961","","","","","","1.063","","","","has coordinates,has disorder","259530","2020-12-04","02:30:19",""
"8000467","18.1441","0.0013","8.418","0.0005","8.6907","0.0006","90","","98.909","0.002","90","","1311.38","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis[4-(Trifluoromethyl)benzylammonium] Lead(II) Tetraiodide; [4-(Trifluoromethyl)benzylammonium]2PbI4","Bis{[4-(Trifluoromethyl)phenyl]methanammonium} Lead(II) Tetraiodide","","- C16 H18 F6 I4 N2 Pb -","- C16 H18 F6 I4 N2 Pb -","- C32 H36 F12 I8 N4 Pb2 -","2","0.5","","Wang, Pei-Xi; Najarian, Amin Morteza; Hao, Zhaomin; Johnston, Andrew; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Structural Distortion and Bandgap Increase of Two-Dimensional Perovskites Induced by Trifluoromethyl Substitution on Spacer Cations.","The journal of physical chemistry letters","2020","11","23","10144","10149","10.1021/acs.jpclett.0c02909","","","0.71073","MoKα","","0.0443","0.0285","","","0.06","0.0635","","","","","","0.999","","","","has coordinates,has disorder","259531","2020-12-04","02:30:30",""
"8000468","5.9937","0.001","31.533","0.005","7.4479","0.0009","90","","91.034","0.012","90","","1407.4","0.4","93","","93","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H9 I S2 -","- C18 H9 I S2 -","- C72 H36 I4 S8 -","4","2","","Matsunaga, Amane; Ogawa, Yuta; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi","Control of Molecular Orientation in Organic Semiconductors Using Weak Iodine‒Iodine Interactions","The Journal of Physical Chemistry Letters","2020","","","111","116","10.1021/acs.jpclett.0c02978","","","0.71073","MoKα","","0.1633","0.1558","","","0.4193","0.4314","","","","","","1.844","","","","has coordinates","259877","2020-12-15","00:23:58",""
"8000469","8.264","0.004","8.901","0.002","8.9223","0.0014","90","0","90","0","90","0","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Wieduwilt, Erna K.; Macetti, Giovanni; Genoni, Alessandro","Climbing Jacob’s Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions","The Journal of Physical Chemistry Letters","2020","","","463","471","10.1021/acs.jpclett.0c03421","","","0.71073","MoKα","","0.018","0.018","","0.013","0.013","","0.0327","","0.8238","0.8238","0.8238","","","","","has coordinates,has disorder","288574","2023-12-31","01:38:45",""
"8000470","30.891","0.006","17.628","0.004","39.727","0.008","90","","99.02","0.03","90","","21366","8","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C180 H270 Ag26 Au S19 -","- C180 H270 Ag26 Au S19 -","- C720 H1080 Ag104 Au4 S76 -","4","1","","Lin, Xinzhang; Ma, Weiguang; Sun, Keju; Sun, Bo; Fu, Xuemei; Ren, Xiuqing; Liu, Chao; Huang, Jiahui","[AuAg26(SR)18S]− Nanocluster: Open Shell Structure and High Faradaic Efficiency in Electrochemical Reduction of CO2 to CO","The Journal of Physical Chemistry Letters","2020","","","552","557","10.1021/acs.jpclett.0c03416","","","0.9793","MoKα","","0.1058","0.099","","","0.2628","0.2709","","","","","","1.037","","","","has coordinates","260332","2021-01-01","01:32:19",""
"8000471","11.952","0.002","12.348","0.003","13.306","0.003","63.93","0.03","85.6","0.03","73.85","0.03","1692","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H28 F4 -","- C42 H26 F4 -","- C84 H52 F8 -","2","1","","Ma, Suqian; Liu, Yingjie; Zhang, Jibo; Xu, Bin; Tian, Wenjing","Polymorphism-Dependent Enhanced Emission in Molecular Aggregates: J-Aggregate versus X-Aggregate.","The journal of physical chemistry letters","2020","11","24","10504","10510","10.1021/acs.jpclett.0c02917","","","0.65252","","","0.0618","0.0562","","","0.1543","0.1617","","","","","","1.025","","","","has coordinates","260405","2021-01-04","02:31:13",""
"8000472","15.036","0.003","11.848","0.002","8.5039","0.0017","90","","95.07","0.03","90","","1509","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 F4 -","- C42 H26 F4 -","- C84 H52 F8 -","2","0.5","","Ma, Suqian; Liu, Yingjie; Zhang, Jibo; Xu, Bin; Tian, Wenjing","Polymorphism-Dependent Enhanced Emission in Molecular Aggregates: J-Aggregate versus X-Aggregate.","The journal of physical chemistry letters","2020","11","24","10504","10510","10.1021/acs.jpclett.0c02917","","","0.71073","MoKα","","0.1361","0.0632","","","0.121","0.1456","","","","","","1.002","","","","has coordinates","260406","2021-01-04","02:31:39",""
"8000473","13.7963","0.0005","12.6757","0.0004","13.3735","0.0005","90","","98.305","0.0012","90","","2314.2","0.14","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound 3","7,12-dicyano-3,16-dimethoxyheptahelicene","","- C34 H20 N2 O2 -","- C34 H20 N2 O2 -","- C136 H80 N8 O8 -","4","0.5","","Kubo, Hiromu; Hirose, Takashi; Nakashima, Takuya; Kawai, Tsuyoshi; Hasegawa, Jun-Ya; Matsuda, Kenji","Tuning Transition Electric and Magnetic Dipole Moments: [7]Helicenes Showing Intense Circularly Polarized Luminescence.","The journal of physical chemistry letters","2021","12","1","686","695","10.1021/acs.jpclett.0c03174","","","0.71075","MoKα","","0.0414","0.039","","","0.1092","0.1117","","","","","","1.038","","","","has coordinates","261494","2021-02-04","03:02:30",""
"8000474","6.9687","0.0002","29.4628","0.0009","9.8722","0.0004","90","","96.084","0.001","90","","2015.52","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N3 O -","- C24 H25 N3 O -","- C96 H100 N12 O4 -","4","1","","Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence.","The journal of physical chemistry letters","2021","12","7","1814","1821","10.1021/acs.jpclett.1c00188","","","0.71073","MoKα","","0.0653","0.0464","","","0.1146","0.1316","","","","","","1.041","","","","has coordinates","262449","2021-03-04","02:55:53",""
"8000475","17.7928","0.0005","6.5327","0.0002","24.6135","0.0007","90","","98.498","0.001","90","","2829.54","0.14","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 N4 O -","- C36 H34 N4 O -","- C144 H136 N16 O4 -","4","1","","Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence.","The journal of physical chemistry letters","2021","12","7","1814","1821","10.1021/acs.jpclett.1c00188","","","0.71073","MoKα","","0.0691","0.0449","","","0.101","0.1173","","","","","","1.047","","","","has coordinates","262449","2021-03-04","02:55:53",""
"8000476","11.3082","0.0005","24.3551","0.001","11.4415","0.0005","90","","114.665","0.001","90","","2863.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N4 O -","- C36 H32 N4 O -","- C144 H128 N16 O4 -","4","1","","Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence.","The journal of physical chemistry letters","2021","12","7","1814","1821","10.1021/acs.jpclett.1c00188","","","0.71073","MoKα","","0.0833","0.0512","","","0.1133","0.1317","","","","","","1.048","","","","has coordinates","262449","2021-03-04","02:55:53",""
"8000477","12.6111","0.0005","7.5598","0.0003","15.0851","0.0006","90","","100.886","0.001","90","","1412.29","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H32 N4 O -","- C36 H32 N4 O -","- C72 H64 N8 O2 -","2","1","","Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence.","The journal of physical chemistry letters","2021","12","7","1814","1821","10.1021/acs.jpclett.1c00188","","","0.71073","MoKα","","0.0469","0.0379","","","0.091","0.0981","","","","","","1.053","","","","has coordinates","262449","2021-03-04","02:55:53",""
"8000478","17.1753","0.001","10.1401","0.0006","17.1948","0.001","90","","119.018","0.0013","90","","2618.7","0.3","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cl6 F N3 O4 Sn -","- C19 H26 Cl6 F N3 O4 Sn -","- C76 H104 Cl24 F4 N12 O16 Sn4 -","4","1","","Su, Binbin; Song, Gaomin; Molokeev, Maxim S.; Golovnev, Nicolay N.; Lesnikov, Maxim K.; Lin, Zheshuai; Xia, Zhiguo","Role of Metal-Chloride Anions in Photoluminescence Regulations for Hybrid Metal Halides.","The journal of physical chemistry letters","2021","12","7","1918","1925","10.1021/acs.jpclett.1c00182","","","0.71073","MoKα","","0.0966","0.0698","","","0.1324","0.1428","","","","","","1.088","","","","has coordinates","262451","2021-03-04","02:56:27",""
"8000479","8.0389","0.001","20.632","0.002","17.359","0.002","90","","101.95","0.002","90","","2816.7","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl6 F N3 O4 Pb2 -","- C19 H26 Cl6 F N3 O4 Pb2 -","- C76 H104 Cl24 F4 N12 O16 Pb8 -","4","1","","Su, Binbin; Song, Gaomin; Molokeev, Maxim S.; Golovnev, Nicolay N.; Lesnikov, Maxim K.; Lin, Zheshuai; Xia, Zhiguo","Role of Metal-Chloride Anions in Photoluminescence Regulations for Hybrid Metal Halides.","The journal of physical chemistry letters","2021","12","7","1918","1925","10.1021/acs.jpclett.1c00182","","","0.71073","MoKα","","0.0713","0.0464","","","0.1066","0.1211","","","","","","1.012","","","","has coordinates","262451","2021-03-04","02:56:30",""
"8000480","7.987","0.003","14.188","0.005","14.544","0.005","70.746","0.008","89.925","0.009","76.317","0.009","1506.5","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H22 Bi Cl6 F N3 O6 -","- C19 H28 Bi Cl6 F N3 O6 -","- C38 H56 Bi2 Cl12 F2 N6 O12 -","2","1","","Su, Binbin; Song, Gaomin; Molokeev, Maxim S.; Golovnev, Nicolay N.; Lesnikov, Maxim K.; Lin, Zheshuai; Xia, Zhiguo","Role of Metal-Chloride Anions in Photoluminescence Regulations for Hybrid Metal Halides.","The journal of physical chemistry letters","2021","12","7","1918","1925","10.1021/acs.jpclett.1c00182","","","0.71073","MoKα","","0.1163","0.0625","","","0.1503","0.1804","","","","","","0.896","","","","has coordinates","262451","2021-03-04","02:56:32",""
"8000481","4.8681","0.0006","7.9922","0.0009","37.653","0.005","90","","92.913","0.007","90","","1463.1","0.3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H14 F10 N4 O4 -","- C38 H14 F10 N4 O4 -","- C76 H28 F20 N8 O8 -","2","0.5","","Kumagai, Shohei; Yu, Craig P.; Nakano, Shunsuke; Annaka, Tatsuro; Mitani, Masato; Yano, Masafumi; Ishii, Hiroyuki; Takeya, Jun; Okamoto, Toshihiro","Role of Perfluorophenyl Group in the Side Chain of Small-Molecule n-Type Organic Semiconductors in Stress Stability of Single-Crystal Transistors","The Journal of Physical Chemistry Letters","2021","","","2095","2101","10.1021/acs.jpclett.0c03012","","","1.54187","CuKα","","0.2389","0.0802","","","0.1719","0.2429","","","","","","0.923","","","","has coordinates","262200","2021-02-25","00:27:37",""
"8000482","29.026","0.004","6.5085","0.0009","22.952","0.003","90","","116.776","0.004","90","","3871.1","0.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H60 Ag4 S4 -","- C40 H60 Ag4 S4 -","- C160 H240 Ag16 S16 -","4","0.5","","Das, Anish Kumar; Maity, Subarna; Sengupta, Turbasu; Bista, Dinesh; Reber, Arthur C.; Patra, Amitava; Khanna, Shiv N.; Mandal, Sukhendu","One-Dimensional Silver-Thiolate Cluster-Assembly: Effect of Argentophilic Interactions on Excited-State Dynamics.","The journal of physical chemistry letters","2021","","","2154","2159","10.1021/acs.jpclett.0c03728","","","0.71073","MoKα","","0.0381","0.0283","","","0.059","0.0635","","","","","","1.041","","","","has coordinates","262243","2021-02-26","00:31:16",""
"8000483","18.589","0.004","7.6364","0.0016","13.203","0.003","90","","90","","90","","1874.2","0.7","296","2","296.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi Cl Cs -","- Bi0.444444 Cl2 Cs0.666667 -","- Bi8 Cl36 Cs12 -","18","2.25","","Tailor, Naveen Kumar; Maity, Partha; Saidaminov, Makhsud I.; Pradhan, Narayan; Satapathi, Soumitra","Dark Self-Healing-Mediated Negative Photoconductivity of a Lead-Free Cs<sub>3</sub>Bi<sub>2</sub>Cl<sub>9</sub> Perovskite Single Crystal.","The journal of physical chemistry letters","2021","12","9","2286","2292","10.1021/acs.jpclett.1c00057","","","0.71073","MoKα","","0.1152","0.0875","","","0.2531","0.2755","","","","","","1.09","","","","has coordinates","263604","2021-04-04","10:03:57",""
"8000484","16.9314","0.0009","11.7303","0.0012","41.194","0.0008","90","","90","","90","","8181.6","1","","","","","","","","","","","","5","P 1","P 1","1","","","","- C H6 Br3 N Pb -","- C10.1674 H60 Br30 N10.1674 Pb17.25 -","- C40.6694 H240 Br120 N40.6694 Pb69 -","4","4","","Wiedemann, Dennis; Breternitz, Joachim; Paley, Daniel W.; Schorr, Susan","Hybrid Perovskite at Full Tilt: Structure and Symmetry Relations of the Incommensurately Modulated Phase of Methylammonium Lead Bromide, MAPbBr<sub>3</sub>.","The journal of physical chemistry letters","2021","12","9","2358","2362","10.1021/acs.jpclett.0c03722","","","","","","","","","","","","","","","","","","","","","has coordinates","263603","2021-04-04","10:03:51",""
"8000485","9.43162","0.00016","11.06107","0.00018","17.6072","0.0003","90","","94.7508","0.0016","90","","1830.54","0.05","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.0543","0.0449","","","0.1208","0.1296","","","","","","1.039","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000486","9.39192","0.00017","16.751","0.0003","12.0917","0.0002","90","","106.29","0.002","90","","1825.95","0.06","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 -","- C25 H16 N2 -","- C100 H64 N8 -","4","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.0441","0.0376","","","0.1043","0.1098","","","","","","1.07","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000487","10.2793","0.0002","13.5906","0.0003","13.2253","0.0003","90","","102.19","0.002","90","","1805.94","0.07","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 -","- C25 H16 N2 -","- C100 H64 N8 -","4","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.0472","0.0388","","","0.1003","0.1072","","","","","","1.033","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000488","31.8745","0.0012","31.8745","0.0012","10.1687","0.0005","90","","90","","120","","8947.1","0.6","290","2","290","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C25 H16 N2 -","- C25 H16 N2 -","- C450 H288 N36 -","18","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.082","0.0477","","","0.1132","0.128","","","","","","0.979","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000489","20.4508","0.0003","11.98222","0.00013","16.482","0.0002","90","","112.763","0.0016","90","","3724.26","0.09","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O -","- C25 H19 N O -","- C200 H152 N8 O8 -","8","2","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","x-ray","1.54184","CuKα","","0.0445","0.0377","","","0.1021","0.1086","","","","","","1.02","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000490","11.0496","0.0002","12.7223","0.0002","11.0073","0.0002","90","","99.6402","0.0019","90","","1525.52","0.05","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.045","0.0391","","","0.1042","0.1134","","","","","","1.055","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000491","24.786","0.008","38.64","0.005","9.0207","0.0007","90","","91.074","0.018","90","","8638","3","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H16 N4 O8 -","- C52 H16 N4 O8 -","- C208 H64 N16 O32 -","4","1","","Chen, Jiehuan; Tang, Ningning; Zhou, Jiadong; Wang, Liangxuan; Jiang, Nianqiang; Zheng, Nan; Liu, Linlin; Xie, Zengqi","Coexistence of Parallel and Rotary Stackings in the Lamellar Crystals of a Perylene Bisimide Dyad for Temperature-Sensitive Bicomponent Emission.","The journal of physical chemistry letters","2021","","","3373","3378","10.1021/acs.jpclett.1c00674","","x-ray","1.54184","CuKα","","0.3702","0.2234","","","0.5168","0.5841","","","","","","1.272","","","","has coordinates","263500","2021-03-31","23:39:51",""
"8000492","9.9272","0.0003","22.2895","0.0004","10.1168","0.0003","90","","118.872","0.004","90","","1960.32","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N5 O -","- C23 H21 N5 O -","- C92 H84 N20 O4 -","4","1","","Zhao, Jianjian; Zhang, Peng; Qiao, Hongwei; Hao, Aiyou; Xing, Pengyao","Supramolecular Chirality Suppresses Molecular Chirality: Selective Chiral Recognition in Hierarchically Coassembled Pyridine-Benzimidazole Conjugates with Precise ee% Detection.","The journal of physical chemistry letters","2021","12","11","2912","2921","10.1021/acs.jpclett.1c00548","","x-ray","1.54184","CuKα","","0.0789","0.0697","","","0.1735","0.1805","","","","","","1.052","","","","has coordinates,has disorder","263568","2021-04-04","09:05:53",""
"8000493","3.93525","0.00014","29.2968","0.0011","14.6279","0.0006","90","","95.143","0.003","90","","1679.66","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N5 O -","- C19 H15 N5 O -","- C76 H60 N20 O4 -","4","1","","Zhao, Jianjian; Zhang, Peng; Qiao, Hongwei; Hao, Aiyou; Xing, Pengyao","Supramolecular Chirality Suppresses Molecular Chirality: Selective Chiral Recognition in Hierarchically Coassembled Pyridine-Benzimidazole Conjugates with Precise ee% Detection.","The journal of physical chemistry letters","2021","12","11","2912","2921","10.1021/acs.jpclett.1c00548","","x-ray","1.54184","CuKα","","0.0968","0.0705","","","0.1882","0.2079","","","","","","1.045","","","","has coordinates,has disorder","263569","2021-04-04","09:06:20",""
"8000494","4.8893","0.001","15.372","0.003","19.518","0.004","67.58","0.03","89.54","0.03","87.55","0.03","1354.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H32 F16 I2 N4 -","- C62 H32 F16 I2 N4 -","- C62 H32 F16 I2 N4 -","1","0.5","","Ding, Zeyang; Shang, Hongxing; Geng, Yijia; Zhang, Shi-Tong; Huo, Zepeng; Yang, Zairan; Li, Bao; Xu, Weiqing; Jiang, Shimei","Tuning Organic Microcrystal Morphologies through Crystal Engineering Strategies toward Anisotropic Optical Waveguide.","The journal of physical chemistry letters","2021","12","19","4585","4592","10.1021/acs.jpclett.1c00769","","","0.71073","MoKα","","0.0584","0.0467","","","0.1426","0.1474","","","","","","1.09","","","","has coordinates,has disorder","265763","2021-06-04","01:04:05",""
"8000495","14.799","0.003","9.962","0.002","15.092","0.003","90","","90.54","0.03","90","","2224.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 F6 N2 -","- C28 H16 F6 N2 -","- C112 H64 F24 N8 -","4","1","","Ding, Zeyang; Shang, Hongxing; Geng, Yijia; Zhang, Shi-Tong; Huo, Zepeng; Yang, Zairan; Li, Bao; Xu, Weiqing; Jiang, Shimei","Tuning Organic Microcrystal Morphologies through Crystal Engineering Strategies toward Anisotropic Optical Waveguide.","The journal of physical chemistry letters","2021","12","19","4585","4592","10.1021/acs.jpclett.1c00769","","","0.71073","MoKα","","0.068","0.0553","","","0.1638","0.1737","","","","","","1.092","","","","has coordinates","265763","2021-06-04","01:04:07",""
"8000496","11.5969","0.0005","13.4458","0.0006","15.9778","0.0009","90","","107.103","0.008","90","","2381.2","0.2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3,3',6,6'-tetramethoxybianthrone","3,3',6,6'-tetramethoxy-10H,10'H-[9,9'-bianthracenylidene]-10,10'-dione","","- C32 H24 O6 -","- C32 H24 O6 -","- C128 H96 O24 -","4","0.5","","Hamamoto, Yosuke; Hirao, Yasukazu; Kubo, Takashi","Biradicaloid Behavior of a Twisted Double Bond.","The journal of physical chemistry letters","2021","12","19","4729","4734","10.1021/acs.jpclett.1c00664","","","0.71075","MoKα","","0.0533","0.0399","","","0.1003","0.107","","","","","","1.028","","","","has coordinates","265762","2021-06-04","01:03:53",""
"8000497","6.7405","0.0002","38.8619","0.0013","19.7039","0.0007","90","","93.159","0.003","90","","5153.6","0.3","93.15","","93.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,3',6,6'-tetra-n-octoxybianthrone (Twisted conformer)","3,3',6,6'-tetraoctoxy-10H,10'H-[9,9'-bianthracenylidene]-10,10'-dione","","- C60 H80 O6 -","- C60 H80 O6 -","- C240 H320 O24 -","4","1","","Hamamoto, Yosuke; Hirao, Yasukazu; Kubo, Takashi","Biradicaloid Behavior of a Twisted Double Bond.","The journal of physical chemistry letters","2021","12","19","4729","4734","10.1021/acs.jpclett.1c00664","","x-ray","1.54184","CuKα","","0.1462","0.1102","","","0.3056","0.3269","","","","","","1.034","","","","has coordinates,has disorder","265762","2021-06-04","01:03:55",""
"8000498","8.3262","0.0007","39.247","0.004","8.3629","0.0008","90","","90","","90","","2732.8","0.4","296.8","0.1","296.8","0.1","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","0.5","","Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo","Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals.","The journal of physical chemistry letters","2021","12","20","4965","4971","10.1021/acs.jpclett.1c01148","","","0.71073","MoKα","","0.1222","0.0773","","","0.1915","0.2213","","","","","","1.09","","","","has coordinates","265764","2021-06-04","01:04:17",""
"8000499","8.325","0.0006","42.717","0.004","8.325","0.0008","90","","90","","90","","2960.5","0.5","297.13","0.1","297.13","0.1","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C11 H37 Br7 N4 Pb2 -","- C11 H37 Br7 N4 Pb2 -","- C44 H148 Br28 N16 Pb8 -","4","0.5","","Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo","Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals.","The journal of physical chemistry letters","2021","12","20","4965","4971","10.1021/acs.jpclett.1c01148","","","0.71073","MoKα","","0.1241","0.0633","","","0.1406","0.1707","","","","","","1.045","","","","has coordinates,has disorder","265764","2021-06-04","01:04:19",""
"8000500","39.173","0.004","8.3835","0.0005","8.3225","0.0005","90","","90.789","0.007","90","","2732.9","0.4","296.1","0.2","296.1","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","1","","Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo","Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals.","The journal of physical chemistry letters","2021","12","20","4965","4971","10.1021/acs.jpclett.1c01148","","","0.71073","MoKα","","0.1291","0.0882","","","0.2059","0.2557","","","","","","1.018","","","","has coordinates","265764","2021-06-04","01:04:19",""
"8000501","13.826","0.002","17.372","0.005","5.0259","0.001","90","","90","","90","","1207.1","0.5","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","TON_BNHx","","","- C0.28 N1.68 O24 Si12 -","- C0.28 N1.68 O24 Si12 -","- C0.56 N3.36 O48 Si24 -","2","0.25","","Paliwoda, Damian; Comboni, Davide; Poręba, Tomasz; Hanfland, Michael; Alabarse, Frederico; Maurin, David; Michel, Thierry; Demirci, Umit B.; Rouquette, Jérôme; di Renzo, Francesco; van der Lee, Arie; Bernard, Samuel; Haines, Julien","Anomalous Volume Changes in the Siliceous Zeolite Theta-1 TON due to Hydrogen Insertion under High-Pressure, High-Temperature Conditions.","The journal of physical chemistry letters","2021","12","21","5059","5063","10.1021/acs.jpclett.1c00965","powder diffraction","","0.4957","synchrotron","","","","","","","","","2.7412","","","","","","","","has coordinates","265766","2021-06-04","01:05:42",""
"8000502","15.343","0.004","7.8403","0.0014","10.165","0.003","90","","90","","90","","1222.8","0.5","393","2","393","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Br3 N O Pb -","- C4 H12 Br3 N O Pb -","- C16 H48 Br12 N4 O4 Pb4 -","4","0.5","","Huang, Xue-Qin; Zhang, Hua; Wang, Fang; Gan, Tian; Xu, Zhe-Kun; Wang, Zhong-Xia","A Photoluminescent Lead Bromide Hybrid Perovskite Molecular Ferroelastic Semiconductor with Sequential High-<i>T</i><sub>c</sub> Phase Transitions.","The journal of physical chemistry letters","2021","12","21","5221","5227","10.1021/acs.jpclett.1c01473","","","0.71073","MoKα","","0.2539","0.1143","","","0.2484","0.3099","","","","","","1.165","","","","has coordinates","265767","2021-06-04","01:05:49",""
"8000503","10.3827","0.0007","14.8485","0.0012","7.6353","0.0005","90","","95.432","0.007","90","","1171.83","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Br3 N O Pb -","- C4 H12 Br3 N O Pb -","- C16 H48 Br12 N4 O4 Pb4 -","4","1","","Huang, Xue-Qin; Zhang, Hua; Wang, Fang; Gan, Tian; Xu, Zhe-Kun; Wang, Zhong-Xia","A Photoluminescent Lead Bromide Hybrid Perovskite Molecular Ferroelastic Semiconductor with Sequential High-<i>T</i><sub>c</sub> Phase Transitions.","The journal of physical chemistry letters","2021","12","21","5221","5227","10.1021/acs.jpclett.1c01473","","","0.71073","MoKα","","0.087","0.0589","","","0.1507","0.161","","","","","","1.087","","","","has coordinates","265767","2021-06-04","01:05:52",""
"8000504","9.556","0.004","9.556","0.004","7.9","0.002","90","","90","","120","","624.8","0.4","473","2","473","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C3.2 H8 Br1.2 N0.4 O0.4 Pb0.4 -","- C5.2 Br1.2 Pb0.4 -","- C26 Br6 Pb2 -","5","0.208333","","Huang, Xue-Qin; Zhang, Hua; Wang, Fang; Gan, Tian; Xu, Zhe-Kun; Wang, Zhong-Xia","A Photoluminescent Lead Bromide Hybrid Perovskite Molecular Ferroelastic Semiconductor with Sequential High-<i>T</i><sub>c</sub> Phase Transitions.","The journal of physical chemistry letters","2021","12","21","5221","5227","10.1021/acs.jpclett.1c01473","","","0.71073","MoKα","","0.4816","0.3061","","","0.301","0.3588","","","","","","1.273","","","","has coordinates","265767","2021-06-04","01:05:54",""
"8000505","39.846","0.004","39.846","0.004","39.846","0.004","90","","90","","90","","63264","11","180","2","180","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C24 H8 F2 O5.78 Zr -","- C24 H8 F2 O5.78067 Zr -","- C1152 H384 F96 O277.472 Zr48 -","48","0.25","","Liu, Zhiyu; Wang, Yangyang; Garcia-Garibay, Miguel A","Rotational Dynamics of an Amphidynamic Zirconium Metal-Organic Framework Determined by Dielectric Spectroscopy.","The journal of physical chemistry letters","2021","12","24","5644","5648","10.1021/acs.jpclett.1c01333","","","0.71073","MoKα","","0.0491","0.0333","","","0.0897","0.0971","","","","","","1.2","","","","has coordinates,has disorder","266975","2021-07-04","01:52:00",""
"8000506","39.823","0.003","39.823","0.003","39.823","0.003","90","","90","","90","","63154","8","298","2","298","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C24 H8 F2 O5.58 Zr -","- C24 H8 F2 O5.582 Zr -","- C1152 H384 F96 O267.936 Zr48 -","48","0.25","","Liu, Zhiyu; Wang, Yangyang; Garcia-Garibay, Miguel A","Rotational Dynamics of an Amphidynamic Zirconium Metal-Organic Framework Determined by Dielectric Spectroscopy.","The journal of physical chemistry letters","2021","12","24","5644","5648","10.1021/acs.jpclett.1c01333","","","0.71073","MoKα","","0.062","0.0356","","","0.082","0.0932","","","","","","1.146","","","","has coordinates,has disorder","266975","2021-07-04","01:52:00",""
"8000507","7.2332","0.0004","7.8762","0.0004","8.0903","0.0004","76.673","0.004","83.598","0.004","88.515","0.004","445.7","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","TMPD-PMDA","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","1","0.5","","Chen, Wenbin; Sun, Shanshan; Huang, Guanheng; Ni, Shaofei; Xu, Liang; Dang, Li; Phillips, David Lee; Li, Ming-De","Unprecedented Improvement of Near-Infrared Photothermal Conversion Efficiency to 87.2% by Ultrafast Non-radiative Decay of Excited States of Self-Assembly Cocrystal.","The journal of physical chemistry letters","2021","12","24","5796","5801","10.1021/acs.jpclett.1c01021","","x-ray","1.54184","CuKα","","0.0462","0.0438","","","0.1105","0.1137","","","","","","1.095","","","","has coordinates","266974","2021-07-04","01:50:48",""
"8000508","12.6429","0.0003","12.1175","0.0002","11.3048","0.0003","90","","113.733","0.003","90","","1585.43","0.07","172.99","0.1","172.99","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H34 Fe N4 O8 -","- C34 H34 Fe N4 O8 -","- C68 H68 Fe2 N8 O16 -","2","0.5","","Liu, Bingyu; Hao, Aiyou; Xing, Pengyao","Water-Mediated Folding Behaviors and Chiroptical Inversion of Ferrocene-Conjugated Dipeptides","The Journal of Physical Chemistry Letters","2021","","","6190","6196","10.1021/acs.jpclett.1c01231","","x-ray","1.54184","CuKα","","0.0325","0.0319","","","0.0777","0.0779","","","","","","1.063","","","","has coordinates","266817","2021-06-30","23:30:00",""
"8000509","12.1314","0.0007","12.1865","0.0008","12.2183","0.0007","62.882","0.006","85.647","0.005","61.341","0.006","1387.1","0.2","173","0.1","173","0.1","","","","","","","","5","P 1","P 1","1","","1","","- C2.15 H2.5 Fe0.04 N0.15 O0.46 -","- C2.15385 H2.34615 Fe0.0384615 N0.192308 O0.423077 -","- C56 H61 Fe N5 O11 -","26","26","","Liu, Bingyu; Hao, Aiyou; Xing, Pengyao","Water-Mediated Folding Behaviors and Chiroptical Inversion of Ferrocene-Conjugated Dipeptides","The Journal of Physical Chemistry Letters","2021","","","6190","6196","10.1021/acs.jpclett.1c01231","","x-ray","1.54184","CuKα","","0.09","0.0827","","","0.2308","0.2408","","","","","","1.008","","","","has coordinates","266818","2021-06-30","23:30:46",""
"8000510","26.2935","0.0009","41.0208","0.0014","40.3958","0.0014","90","","104.188","0.002","90","","42241","3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C333 H398 Ag45 Cl2 O26 S22 -","- C333 H398 Ag45 Cl2 O26 S22 -","- C1332 H1592 Ag180 Cl8 O104 S88 -","4","1","","Du, Wenjun; Deng, Shiyao; Chen, Shuang; Jin, Shan; Zhen, Yaru; Pei, Yong; Zhu, Manzhou","Anisotropic Evolution of Nanoclusters from Ag40 to Ag45: Halogen- and Defect-Induced Epitaxial Growth in Nanoclusters","The Journal of Physical Chemistry Letters","2021","","","6654","6660","10.1021/acs.jpclett.1c01713","","","0.71073","MoKα","","0.2274","0.1249","","","0.2797","0.3664","","","","","","1.054","","","","has coordinates","267516","2021-07-13","23:42:36",""
"8000511","13.0039","0.0003","9.7799","0.0002","15.7239","0.0004","90","","92.691","0.002","90","","1997.51","0.08","170.01","0.1","170.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H36 Cl2 Cu N -","- C16 H36 Cl2 Cu N -","- C64 H144 Cl8 Cu4 N4 -","4","0.5","","Peng, Hui; Wang, Xinxin; Tian, Ye; Dong, Tiantian; Xiao, Yonghao; Huang, Tao; Guo, Yongchang; Wang, Jianping; Zou, Bingsuo","Water-Stable Zero-Dimensional (C4H9)4NCuCl2 Single Crystal with Highly Efficient Broadband Green Emission","The Journal of Physical Chemistry Letters","2021","","","6639","6647","10.1021/acs.jpclett.1c01794","","x-ray","0.71073","MoKα","","0.024","0.0223","","","0.0646","0.0654","","","","","","1.094","","","","has coordinates","267517","2021-07-13","23:43:04",""
"8000512","10.079","0.002","11.021","0.002","12.037","0.003","94.336","0.002","98.721","0.003","91.7938","0.0018","1316.6","0.5","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C55 H37 Eu F12 N4 O8 -","- C55 H37 Eu F12 N4 O8 -","- C55 H37 Eu F12 N4 O8 -","1","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0212","0.0212","","","0.0491","0.0491","","","","","","0.984","","","","has coordinates,has disorder","267651","2021-07-20","23:59:05",""
"8000513","10.198","0.004","10.878","0.004","12.588","0.005","98.433","0.006","107.288","0.004","98.919","0.004","1289.4","0.9","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C53 H34 Br3 Eu F9 N3 O8 -","- C53 H34 Br3 Eu F9 N3 O8 -","- C53 H34 Br3 Eu F9 N3 O8 -","1","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0224","0.0216","","","0.0458","0.0461","","","","","","0.86","","","","has coordinates","267652","2021-07-20","23:59:19",""
"8000514","13.0611","0.001","38.48","0.003","16.0189","0.0013","90","","90.703","0.001","90","","8050.4","1.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H43 Eu F9 N3 O8 -","- C56 H43 Eu F9 N3 O8 -","- C336 H258 Eu6 F54 N18 O48 -","6","3","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0435","0.0373","","","0.071","0.073","","","","","","1.063","","","","has coordinates,has disorder","267653","2021-07-20","23:59:40",""
"8000515","12.815","0.007","24.134","0.014","18.953","0.011","90","","107.872","0.004","90","","5579","6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H34 Eu F18 N3 O8 -","- C56 H30.5 Eu F18 N3 O8 -","- C224 H122 Eu4 F72 N12 O32 -","4","2","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0426","0.0354","","","0.072","0.0752","","","","","","1.029","","","","has coordinates,has disorder","267654","2021-07-21","00:00:08",""
"8000516","17.2083","0.0015","17.2083","0.0015","37.945","0.003","90","","90","","90","","11236.5","1.6","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C56 H43 Eu F9 N3 O8 S3 -","- C56 H43 Eu F9 N3 O8 S3 -","- C448 H344 Eu8 F72 N24 O64 S24 -","8","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.1103","0.0573","","","0.1258","0.1458","","","","","","0.925","","","","has coordinates,has disorder","267655","2021-07-21","00:00:44",""
"8000517","10.2252","0.0015","15.936","0.002","16.583","0.003","83.578","0.002","81.734","0.002","86.63","0.002","2654.8","0.7","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H34 Eu F9 N6 O8 -","- C56 H34 Eu F9 N6 O8 -","- C112 H68 Eu2 F18 N12 O16 -","2","2","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0372","0.0322","","","0.0711","0.0733","","","","","","1.051","","","","has coordinates,has disorder","267656","2021-07-21","00:01:06",""
"8000518","10.3011","0.0007","11.0339","0.0007","12.1085","0.0008","93.001","0.001","97.851","0.001","92.865","0.001","1359.23","0.16","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C56 H34 Cl3 Eu F9 N3 O8 -","- C55 H37 Cl3 Eu F9 N4 O8 -","- C55 H37 Cl3 Eu F9 N4 O8 -","1","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.023","0.0229","","","0.0513","0.0514","","","","","","0.804","","","","has coordinates","267657","2021-07-21","00:01:27",""
"8000519","10.396","0.007","11.164","0.007","12.73","0.008","100.881","0.01","109.334","0.009","97.095","0.012","1341.2","1.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H43 Eu F9 N3 O11 -","- C56 H43 Eu F9 N3 O11 -","- C56 H43 Eu F9 N3 O11 -","1","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0233","0.0232","","","0.0504","0.0504","","","","","","0.893","","","","has coordinates,has disorder","267658","2021-07-21","00:01:42",""
"8000520","14.844","0.008","18.882","0.01","20.014","0.01","90","","90","","90","","5610","5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H49 Eu F9 N3 O11 -","- C59 H49 Eu F9 N3 O11 -","- C236 H196 Eu4 F36 N12 O44 -","4","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0258","0.0224","","","0.0524","0.0545","","","","","","0.713","","","","has coordinates,has disorder","267659","2021-07-21","00:02:02",""
"8000521","9.1372","0.0003","17.9515","0.0007","12.0858","0.0005","90","","90.47","0.001","90","","1982.32","0.13","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H27 Cl5 N3 O Sb -","- C9 H27 Cl5 N3 O Sb -","- C36 H108 Cl20 N12 O4 Sb4 -","4","1","","Wei, Qilin; Chang, Tong; Zeng, Ruosheng; Cao, Sheng; Zhao, Jialong; Han, Xinxin; Wang, Lishuang; Zou, Bingsuo","Self-Trapped Exciton Emission in a Zero-Dimensional (TMA)<sub>2</sub>SbCl<sub>5</sub>·DMF Single Crystal and Molecular Dynamics Simulation of Structural Stability.","The journal of physical chemistry letters","2021","","","7091","7099","10.1021/acs.jpclett.1c02119","","","0.71073","MoKα","","0.0275","0.0266","","","0.0694","0.0701","","","","","","1.018","","","","has coordinates","267727","2021-07-23","23:49:55",""
"8000522","31.204","0.007","14.246","0.003","7.0912","0.0016","90","","90.053","0.008","90","","3152.3","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C144 H168 N24 O8 -","8","1","","Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems.","The journal of physical chemistry letters","2021","","","7357","7364","10.1021/acs.jpclett.1c01893","","","0.71073","MoKα","","0.0781","0.0645","","","0.17","0.1867","","","","","","1.057","","","","has coordinates","267829","2021-07-30","23:58:03",""
"8000523","6.0201","0.0002","22.9725","0.0008","11.0281","0.0004","90","","94.499","0.002","90","","1520.45","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C68 H76 N12 O4 -","4","1","","Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems.","The journal of physical chemistry letters","2021","","","7357","7364","10.1021/acs.jpclett.1c01893","","","0.71073","MoKα","","0.066","0.0498","","","0.1261","0.1396","","","","","","1.052","","","","has coordinates","267830","2021-07-30","23:58:26",""
"8000524","20.556","0.003","7.6031","0.0012","6.1035","0.0009","90","","90","","90","","953.9","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","","Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems.","The journal of physical chemistry letters","2021","","","7357","7364","10.1021/acs.jpclett.1c01893","","","0.71073","MoKα","","0.0855","0.066","","","0.1737","0.1966","","","","","","1.049","","","","has coordinates","267831","2021-07-30","23:58:46",""
"8000525","7.2755","0.0005","13.7706","0.0009","17.4597","0.0013","90","","100.778","0.002","90","","1718.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O -","- C19 H23 N3 O -","- C76 H92 N12 O4 -","4","1","","Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems.","The journal of physical chemistry letters","2021","","","7357","7364","10.1021/acs.jpclett.1c01893","","","0.71073","MoKα","","0.096","0.0537","","","0.1149","0.1403","","","","","","1.032","","","","has coordinates","267832","2021-07-30","23:59:07",""
"8000526","8.055","0.004","10.096","0.006","11.687","0.005","90","","90","","90","","950.4","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","","Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems.","The journal of physical chemistry letters","2021","","","7357","7364","10.1021/acs.jpclett.1c01893","","","0.71073","MoKα","","0.0404","0.0342","","","0.0799","0.0845","","","","","","1.035","","","","has coordinates","267833","2021-07-30","23:59:28",""
"8000527","9.3063","0.0017","10.2363","0.0017","9.865","0.002","90","","96.832","0.008","90","","933.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C44 H32 N8 O4 -","4","1","","Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems.","The journal of physical chemistry letters","2021","","","7357","7364","10.1021/acs.jpclett.1c01893","","","0.71073","MoKα","","0.0787","0.0594","","","0.1542","0.1748","","","","","","1.041","","","","has coordinates,has disorder","267834","2021-07-30","23:59:48",""
"8000528","11.90232","0.00004","18.92658","0.00007","18.74628","0.00008","90","","90","","90","","4222.98","0.03","249.97","0.1","249.97","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H38 Br4 Mn P2 -","- C44 H38 Br4 Mn P2 -","- C176 H152 Br16 Mn4 P8 -","4","0.5","","Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen","Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices","The Journal of Physical Chemistry Letters","2021","","","7394","7399","10.1021/acs.jpclett.1c02154","","","1.54184","CuKα","","0.028","0.0271","","","0.0679","0.0685","","","","","","1.085","","","","has coordinates","267835","2021-07-31","00:00:12",""
"8000529","20.6048","0.0002","12.3995","0.0001","16.0468","0.0001","90","","105.924","0.001","90","","3942.46","0.06","249.99","","249.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Br4 Mn P2 -","- C40 H38 Br4 Mn P2 -","- C160 H152 Br16 Mn4 P8 -","4","1","","Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen","Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices","The Journal of Physical Chemistry Letters","2021","","","7394","7399","10.1021/acs.jpclett.1c02154","","","1.54184","CuKα","","0.03","0.0264","","","0.0688","0.0704","","","","","","1.022","","","","has coordinates,has disorder","267836","2021-07-31","00:00:34",""
"8000530","10.1305","0.0001","12.7616","0.0002","17.9057","0.0003","75.345","0.001","86.03","0.001","67.855","0.001","2073.47","0.05","250","","250","","","","","","","","","5","P -1","-P 1","2","","2","","- C44 H38 Br4 Mn P2 -","- C44 H38 Br4 Mn P2 -","- C88 H76 Br8 Mn2 P4 -","2","1","","Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen","Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices","The Journal of Physical Chemistry Letters","2021","","","7394","7399","10.1021/acs.jpclett.1c02154","","","1.54184","CuKα","","0.0326","0.0315","","","0.0847","0.0855","","","","","","1.03","","","","has coordinates","267837","2021-07-31","00:00:56",""
"8000531","9.7649","0.0001","28.6587","0.0002","16.2036","0.0001","90","","104.154","0.001","90","","4396.91","0.06","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Br4 Mn P2 -","- C48 H38 Br4 Mn P2 -","- C192 H152 Br16 Mn4 P8 -","4","1","","Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen","Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices","The Journal of Physical Chemistry Letters","2021","","","7394","7399","10.1021/acs.jpclett.1c02154","","","1.54184","CuKα","","0.0448","0.0406","","","0.1117","0.1149","","","","","","1.035","","","","has coordinates","267838","2021-07-31","00:01:19",""
"8000532","25.2717","0.0016","7.7302","0.0004","12.4159","0.0007","90","","99.618","0.003","90","","2391.4","0.2","101","2","101.2","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cl6 In Rb3 -","- Cl6 In Rb3 -","- Cl48 In8 Rb24 -","8","1","","Zhang, Chao; Feng, Xuezhen; Song, Qilin; Zhou, Chaocheng; Peng, Lin; Chen, Jing; Liu, Xiaolin; Chen, Hong; Lin, Jia; Chen, Xianfeng","Blue-Violet Emission with Near-Unity Photoluminescence Quantum Yield from Cu(I)-Doped Rb<sub>3</sub>InCl<sub>6</sub> Single Crystals.","The journal of physical chemistry letters","2021","12","33","7928","7934","10.1021/acs.jpclett.1c01751","","","0.71073","MoKα","","0.0247","0.0222","","","0.0499","0.0507","","","","","","1.131","","","","has coordinates","268463","2021-09-04","02:02:15",""
"8000533","21.5256","0.0008","9.7968","0.0004","4.7685","0.0002","90","","90","","90","","1005.59","0.07","113.15","","113.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H15 N3 O6 -","- C6 H15 N3 O6 -","- C24 H60 N12 O24 -","4","1","","Guo, Mingxia; Rosbottom, Ian; Zhou, Lina; Yong, Chin W.; Zhou, Ling; Yin, Qiuxiang; Todorov, Ilian T.; Errington, Ethan; Heng, Jerry Y. Y.","Triglycine (GGG) Adopts a Polyproline II (pPII) Conformation in Its Hydrated Crystal Form: Revealing the Role of Water in Peptide Crystallization.","The journal of physical chemistry letters","2021","12","34","8416","8422","10.1021/acs.jpclett.1c01622","","x-ray","0.71073","MoKα","","0.0492","0.0466","","","0.1277","0.1305","","","","","","1.041","","","","has coordinates","268464","2021-09-04","02:03:16",""
"8000534","10.2354","0.0001","13.1008","0.0001","15.8109","0.0002","91.429","0.001","101.553","0.001","103.772","0.001","2011.56","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0242","0.0229","","","0.0608","0.0615","","","","","","1.027","","","","has coordinates","268465","2021-09-04","02:03:40",""
"8000535","30.414","0.0008","4.196","0.0001","14.4536","0.0003","90","","95.248","0.002","90","","1836.8","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 Cu I N3 O0.5 -","- C8 H6 Cu I N3 O0.5 -","- C64 H48 Cu8 I8 N24 O4 -","8","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","0.71073","MoKα","","0.0268","0.0235","","","0.0613","0.0634","","","","","","1.049","","","","has coordinates","268466","2021-09-04","02:04:03",""
"8000536","10.3279","0.0004","13.1429","0.0003","15.9454","0.0002","91.932","0.002","101.499","0.002","103.064","0.002","2059.02","0.1","330","2","330","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0624","0.0418","","","0.0923","0.1233","","","","","","1.142","","","","has coordinates","268467","2021-09-04","02:04:26",""
"8000537","10.253","0.0001","13.107","0.0001","15.8382","0.0001","91.541","0.001","101.537","0.001","103.642","0.001","2020.46","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0248","0.0232","","","0.0557","0.0564","","","","","","1.051","","","","has coordinates","268468","2021-09-04","02:04:44",""
"8000538","30.414","0.0008","4.196","0.0001","14.4536","0.0003","90","","95.248","0.002","90","","1836.8","0.08","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 Cu I N3 O0.5 -","- C8 H6 Cu I N3 O0.5 -","- C64 H48 Cu8 I8 N24 O4 -","8","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","0.71073","MoKα","","0.0208","0.02","","","0.0535","0.0539","","","","","","1.029","","","","has coordinates","268469","2021-09-04","02:05:08",""
"8000539","10.337","0.0006","13.1443","0.0006","15.9625","0.0003","91.989","0.003","101.507","0.004","102.945","0.004","2064.09","0.16","350","2","350","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.1222","0.0808","","","0.1997","0.2633","","","","","","1.156","","","","has coordinates","268470","2021-09-04","02:05:39",""
"8000540","10.2702","0.0001","13.1195","0.0001","15.8628","0.0001","91.637","0.001","101.545","0.001","103.513","0.001","2029.76","0.03","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0267","0.0243","","","0.0582","0.0593","","","","","","1.048","","","","has coordinates","268471","2021-09-04","02:05:59",""
"8000541","10.3022","0.0002","13.1267","0.0002","15.9106","0.0002","91.787","0.001","101.542","0.001","103.293","0.002","2044.93","0.06","270","2","270","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0409","0.034","","","0.0845","0.0918","","","","","","1.116","","","","has coordinates","268472","2021-09-04","02:06:17",""
"8000542","10.2909","0.0001","13.1301","0.0001","15.8935","0.0002","91.716","0.001","101.577","0.001","103.369","0.001","2040.26","0.04","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0299","0.0266","","","0.0618","0.0631","","","","","","1.043","","","","has coordinates","268473","2021-09-04","02:06:36",""
"8000543","10.3155","0.0003","13.136","0.0002","15.932","0.0002","91.851","0.001","101.507","0.002","103.186","0.002","2052.83","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0522","0.0365","","","0.0786","0.1036","","","","","","1.134","","","","has coordinates","268474","2021-09-04","02:06:54",""
"8000544","17.7247","0.001","7.665","0.0004","9.7505","0.0005","90","","90","","90","","1324.7","0.12","","","","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- F4 H2 K2 O12 S3 Zn3 -","- F4 H2 K2 O12 S3 Zn3 -","- F16 H8 K8 O48 S12 Zn12 -","4","0.5","","Zhou, Yang; Zhang, Xingyu; Xiong, Zheyao; Long, Xifa; Li, Yanqiang; Chen, Yangxin; Chen, Xin; Zhao, Sangen; Lin, Zheshuai; Luo, Junhua","Non-π-Conjugated Deep-Ultraviolet Nonlinear Optical Crystal K<sub>2</sub>Zn<sub>3</sub>(SO<sub>4</sub>)(HSO<sub>4</sub>)<sub>2</sub>F<sub>4</sub>.","The journal of physical chemistry letters","2021","12","34","8280","8284","10.1021/acs.jpclett.1c01533","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","268475","2021-09-04","02:07:17",""
"8000545","9.555","0.0001","15.6096","0.0001","32.3131","0.0003","99.959","0.001","91.493","0.001","92.824","0.001","4738.17","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H76 Br4 Mn N2 -","- C42 H76 Br4 Mn N2 -","- C168 H304 Br16 Mn4 N8 -","4","2","","Zhang, Shuai; Zhao, Yifei; Zhou, Yayun; Li, Man; Wang, Wei; Ming, Hong; Jing, Xiping; Ye, Shi","Dipole-Orientation-Dependent Förster Resonance Energy Transfer from Aromatic Head Groups to MnBr<sub>4</sub><sup>2-</sup> Blocks in Organic-Inorganic Hybrids.","The journal of physical chemistry letters","2021","12","36","8692","8698","10.1021/acs.jpclett.1c02686","","x-ray","1.54184","CuKα","","0.0518","0.0432","","","0.105","0.1092","","","","","","1.056","","","","has coordinates","269531","2021-10-04","01:43:45",""
"8000546","9.2521","0.0001","17.3068","0.0002","30.8717","0.0003","78.402","0.001","88.41","0.001","76.36","0.001","4704.8","0.09","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H78 Br4 Mn N4 -","- C40 H78 Br4 Mn N4 -","- C160 H312 Br16 Mn4 N16 -","4","2","","Zhang, Shuai; Zhao, Yifei; Zhou, Yayun; Li, Man; Wang, Wei; Ming, Hong; Jing, Xiping; Ye, Shi","Dipole-Orientation-Dependent Förster Resonance Energy Transfer from Aromatic Head Groups to MnBr<sub>4</sub><sup>2-</sup> Blocks in Organic-Inorganic Hybrids.","The journal of physical chemistry letters","2021","12","36","8692","8698","10.1021/acs.jpclett.1c02686","","x-ray","1.54184","CuKα","","0.0485","0.0445","","","0.1251","0.1281","","","","","","1.076","","","","has coordinates","269532","2021-10-04","01:44:10",""
"8000547","8.9169","0.0019","13.042","0.003","17.248","0.004","90","","94.284","0.008","90","","2000.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 F3 I3 N -","- C20 H10 F3 I3 N -","- C80 H40 F12 I12 N4 -","4","1","","Du, Sijia; Ma, Suqian; Xu, Bin; Tian, Wenjing","Optical Waveguide and Photoluminescent Polarization in Organic Cocrystal Polymorphs.","The journal of physical chemistry letters","2021","12","38","9233","9238","10.1021/acs.jpclett.1c02726","","","0.71076","MoKα","","0.051","0.0463","","","0.1227","0.1263","","","","","","1.154","","","","has coordinates","269533","2021-10-04","01:44:42",""
"8000548","5.0705","0.0007","37.539","0.005","10.7938","0.0016","90","","92.192","0.005","90","","2053","0.5","98","2","98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 F3 I3 N -","- C20 H10 F3 I3 N -","- C80 H40 F12 I12 N4 -","4","1","","Du, Sijia; Ma, Suqian; Xu, Bin; Tian, Wenjing","Optical Waveguide and Photoluminescent Polarization in Organic Cocrystal Polymorphs.","The journal of physical chemistry letters","2021","12","38","9233","9238","10.1021/acs.jpclett.1c02726","","","0.71076","MoKα","","0.0723","0.0417","","","0.0824","0.095","","","","","","1.113","","","","has coordinates","269534","2021-10-04","01:45:08",""
"8000549","10.7291","0.0002","12.2843","0.0003","19.3087","0.0004","90","","93.931","0.002","90","","2538.89","0.09","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C70 H50 N4 O4 -","- C70 H50 N4 O4 -","- C140 H100 N8 O8 -","2","1","","Sakamaki, Daisuke; Tanaka, Shunya; Tanaka, Katsuki; Takino, Mayu; Gon, Masayuki; Tanaka, Kazuo; Hirose, Takashi; Hirobe, Daichi; Yamamoto, Hiroshi M.; Fujiwara, Hideki","Double Heterohelicenes Composed of Benzo[<i>b</i>]- and Dibenzo[<i>b</i>,<i>i</i>]phenoxazine: A Comprehensive Comparison of Their Electronic and Chiroptical Properties.","The journal of physical chemistry letters","2021","12","38","9283","9292","10.1021/acs.jpclett.1c02896","","","0.71073","MoKα","","0.0665","0.0452","","","0.1068","0.116","","","","","","1.043","","","","has coordinates","269535","2021-10-04","01:45:36",""
"8000550","8.6191","0.0006","11.0586","0.0009","12.8995","0.0009","96.722","0.007","92.205","0.007","90.967","0.006","1219.88","0.16","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26 N2 O2 -","- C35 H26 N2 O2 -","- C70 H52 N4 O4 -","2","1","","Sakamaki, Daisuke; Tanaka, Shunya; Tanaka, Katsuki; Takino, Mayu; Gon, Masayuki; Tanaka, Kazuo; Hirose, Takashi; Hirobe, Daichi; Yamamoto, Hiroshi M.; Fujiwara, Hideki","Double Heterohelicenes Composed of Benzo[<i>b</i>]- and Dibenzo[<i>b</i>,<i>i</i>]phenoxazine: A Comprehensive Comparison of Their Electronic and Chiroptical Properties.","The journal of physical chemistry letters","2021","12","38","9283","9292","10.1021/acs.jpclett.1c02896","","","0.71075","MoKα","","0.0692","0.0442","","","0.11","0.1196","","","","","","1.053","","","","has coordinates","269536","2021-10-04","01:46:10",""
"8000551","13.117","0.003","24.758","0.004","37.628","0.007","90","","90","","90","","12220","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C92 H64 Ag6 N28 O31 Yb2 -","- C92 H64 Ag6 N28 O31 Yb2 -","- C368 H256 Ag24 N112 O124 Yb8 -","4","1","","Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon","Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.","The journal of physical chemistry letters","2021","","","10558","10566","10.1021/acs.jpclett.1c02942","","x-ray","0.71073","MoKα","","0.123","0.095","","","0.2356","0.254","","","","","","1.089","","","","has coordinates,has disorder","270298","2021-11-04","02:02:25",""
"8000552","22.961","0.003","14.1072","0.0016","18.6968","0.0019","90","","103.936","0.007","90","","5877.9","1.2","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Au3 N16 O8 S6 Yb -","- C50 H38 Au3 N16 O8 S6 Yb -","- C200 H152 Au12 N64 O32 S24 Yb4 -","4","0.5","","Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon","Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.","The journal of physical chemistry letters","2021","","","10558","10566","10.1021/acs.jpclett.1c02942","","x-ray","0.71075","MoKα","","0.0817","0.067","","","0.0771","0.0795","","","","","","1.388","","","","has coordinates","270298","2021-11-04","02:02:26",""
"8000553","53.198","0.004","12.3749","0.0009","24.9475","0.0018","90","","90.362","0.003","90","","16423","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C139.67 H96 Cd5.33 N43.67 O34 Yb3 -","- C139.667 H96 Cd5.3334 N43.6668 O34 Yb3 -","- C558.667 H384 Cd21.3336 N174.667 O136 Yb12 -","4","0.5","","Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon","Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.","The journal of physical chemistry letters","2021","","","10558","10566","10.1021/acs.jpclett.1c02942","","x-ray","0.71073","MoKα","","0.0645","0.0471","","","0.1294","0.142","","","","","","1.033","","","","has coordinates,has disorder","270298","2021-11-04","02:02:26",""
"8000554","13.8229","0.001","25.6413","0.0019","28.239","0.002","90","","90","","90","","10008.9","1.3","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C46 H44 Co N14 O14 Yb -","- C46 H44 Co N14 O14 Yb -","- C368 H352 Co8 N112 O112 Yb8 -","8","0.25","","Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon","Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.","The journal of physical chemistry letters","2021","","","10558","10566","10.1021/acs.jpclett.1c02942","","x-ray","0.71073","MoKα","","0.0318","0.0235","","","0.0484","0.0506","","","","","","1.063","","","","has coordinates,has disorder","270298","2021-11-04","02:02:26",""
"8000555","13.8789","0.0014","25.716","0.003","28.221","0.003","90","","90","","90","","10072.4","1.9","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C46 H44 Ir N14 O14 Yb -","- C46 H44 Ir N14 O14 Yb -","- C368 H352 Ir8 N112 O112 Yb8 -","8","0.25","","Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon","Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.","The journal of physical chemistry letters","2021","","","10558","10566","10.1021/acs.jpclett.1c02942","","x-ray","0.71073","MoKα","","0.0862","0.0703","","","0.1238","0.1303","","","","","","1.134","","","","has coordinates,has disorder","270298","2021-11-04","02:02:26",""
"8000556","13.826","0.0007","25.726","0.0012","28.263","0.0013","90","","90","","90","","10052.8","0.8","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C46 H44 Fe N14 O14 Yb -","- C46 H44 Fe N14 O14 Yb -","- C368 H352 Fe8 N112 O112 Yb8 -","8","0.25","","Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon","Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.","The journal of physical chemistry letters","2021","","","10558","10566","10.1021/acs.jpclett.1c02942","","x-ray","0.71073","MoKα","","0.0308","0.0248","","","0.05","0.0516","","","","","","1.071","","","","has coordinates,has disorder","270298","2021-11-04","02:02:27",""
"8000557","13.9366","0.0011","25.744","0.002","28.199","0.003","90","","90","","90","","10117.3","1.6","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C46 H32 Cr N14 O14 Yb -","- C46 H32 Cr N14 O14 Yb -","- C368 H256 Cr8 N112 O112 Yb8 -","8","0.25","","Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon","Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.","The journal of physical chemistry letters","2021","","","10558","10566","10.1021/acs.jpclett.1c02942","","x-ray","0.71073","MoKα","","0.0696","0.0529","","","0.1145","0.1212","","","","","","1.036","","","","has coordinates,has disorder","270298","2021-11-04","02:02:27",""
"8000558","5.8131","0.00005","15.6887","0.0002","5.2854","0.00008","90","","92.282","0.0006","90","","481.646","0.01","295","","295.03","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Cs Pb I2 Br","Cs Pb I2 Br","","- Br Cs I2 Pb -","- Br Cs I2 Pb -","- Br2 Cs2 I4 Pb2 -","2","0.5","","Yue, Yaochang; Zhou, Jiyu; Cheng, Qian; Zhang, Xuning; Wang, Boxin; Li, Yanxun; Li, Shilin; Cao, Ruiqi; Wang, Kaiyuan; Wang, Hui; Zhou, Huiqiong; Zhang, Yuan","Peculiar Steric Hindrance Assists Monoclinic Phase Formation toward High-Quality All-Inorganic Perovskites.","The journal of physical chemistry letters","2021","12","45","11228","11237","10.1021/acs.jpclett.1c03021","powder diffraction","","1.5405","CuKα","","","","","","","","","7.3375","1.2232","","","","","","","has coordinates","271114","2021-12-04","03:03:48",""
"8000559","23.605","0.007","9.002","0.002","21.707","0.006","90","","90","","90","","4613","2","425","2","425","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C4 H10 I3 N O2 Pb -","- C4 H10 I3 N O2 Pb -","- C48 H120 I36 N12 O24 Pb12 -","12","0.75","","Xie, Guanying; Wang, Lei; Ju, Dianxing; Yao, Changlin; Wang, Xinyuan; Song, Shuhong; Qu, Yaqian; Li, Huimin; Tao, Xutang","Thermochromism Perovskite (COOH(CH<sub>2</sub>)<sub>3</sub>NH<sub>3</sub>)<sub>2</sub>PbI<sub>4</sub> Crystals: Single-Crystal to Single-Crystal Phase Transition and Excitation-Wavelength-Dependent Emission.","The journal of physical chemistry letters","2021","","","214","221","10.1021/acs.jpclett.1c03458","","","1.34139","GaKα","","0.2129","0.1384","","","0.318","0.3585","","","","","","1.2","","","","has coordinates,has disorder","271784","2022-01-04","02:26:25",""
"8000560","15.3534","0.0005","11.9467","0.0006","17.3788","0.0007","90","","103.369","0.001","90","","3101.3","0.2","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Br6 In N9 O -","- C21 H26 Br6 In N9 O -","- C84 H104 Br24 In4 N36 O4 -","4","1","","Lin, Jiawei; Liu, Kunjie; Ruan, Hang; Sun, Niu; Chen, Xin; Zhao, Jing; Guo, Zhongnan; Liu, Quanlin; Yuan, Wenxia","Zero-Dimensional Lead-Free Halide with Indirect Optical Gap and Enhanced Photoluminescence by Sb Doping.","The journal of physical chemistry letters","2021","","","198","207","10.1021/acs.jpclett.1c03649","","","0.71073","MoKα","","0.0358","0.0244","","","0.0538","0.0576","","","","","","1.02","","","","has coordinates","271785","2022-01-04","02:26:51",""
"8000561","10.3309","0.0006","15.6212","0.001","14.2713","0.0009","90","","108.667","0.002","90","","2182","0.2","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Br5 N6 Sb -","- C14 H16 Br5 N6 Sb -","- C56 H64 Br20 N24 Sb4 -","4","1","","Lin, Jiawei; Liu, Kunjie; Ruan, Hang; Sun, Niu; Chen, Xin; Zhao, Jing; Guo, Zhongnan; Liu, Quanlin; Yuan, Wenxia","Zero-Dimensional Lead-Free Halide with Indirect Optical Gap and Enhanced Photoluminescence by Sb Doping.","The journal of physical chemistry letters","2021","","","198","207","10.1021/acs.jpclett.1c03649","","","0.71073","MoKα","","0.0271","0.0212","","","0.0492","0.0508","","","","","","1.048","","","","has coordinates","271786","2022-01-04","02:27:17",""
"8000562","14.9918","0.0004","11.8909","0.0004","17.0091","0.0005","90","","105.138","0.001","90","","2926.93","0.15","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cl6 In N9 O -","- C21 H26 Cl6 In N9 O -","- C84 H104 Cl24 In4 N36 O4 -","4","1","","Lin, Jiawei; Liu, Kunjie; Ruan, Hang; Sun, Niu; Chen, Xin; Zhao, Jing; Guo, Zhongnan; Liu, Quanlin; Yuan, Wenxia","Zero-Dimensional Lead-Free Halide with Indirect Optical Gap and Enhanced Photoluminescence by Sb Doping.","The journal of physical chemistry letters","2021","","","198","207","10.1021/acs.jpclett.1c03649","","x-ray","0.71073","MoKα","","0.0295","0.0284","","","0.0731","0.0743","","","","","","1.092","","","","has coordinates","271787","2022-01-04","02:27:43",""
"8000563","6.6191","0.0002","3.797","0.0001","19.903","0.0005","90","","94.592","0.003","90","","498.61","0.02","170","0.11","170","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 N2 O2 -","- C14 H8 N2 O2 -","- C28 H16 N4 O4 -","2","0.5","","Wang, Long; Cai, Wanlin; Sun, Jing; Wu, Yuling; Zhang, Bin; Tian, Xiangbin; Guo, Shaoting; Liang, WanZhen; Fu, Hongbing; Yao, Jiannian","H-Type-like Aggregation-Accelerated Singlet Fission Process in Dipyrrolonaphthyridinedione Thin Film: The Role of Charge Transfer/Excimer Mixed Intermediate State.","The journal of physical chemistry letters","2021","12","51","12276","12282","10.1021/acs.jpclett.1c03265","","x-ray","1.54184","CuKα","","0.0403","0.037","","","0.0929","0.0951","","","","","","1.117","","","","has coordinates","271788","2022-01-04","02:28:21",""
"8000564","8.0489","0.001","31.099","0.004","8.3796","0.001","90","","90.441","0.004","90","","2097.5","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H14 Br7 Cs N2 Pb2 -","- C4 H14 Br7 Cs N2 Pb2 -","- C16 H56 Br28 Cs4 N8 Pb8 -","4","1","","Xiao, Bao; Sun, Qihao; Wang, Shiyao; Ji, Leilei; Li, Yingrui; Xi, Shouzhi; Zhang, Bin-Bin; Wang, Junjie; Jie, Wanqi; Xu, Yadong","Two-Dimensional Dion-Jacobson Perovskite (NH<sub>3</sub>C<sub>4</sub>H<sub>8</sub>NH<sub>3</sub>)CsPb<sub>2</sub>Br<sub>7</sub> with High X-ray Sensitivity and Peak Discrimination of α-Particles.","The journal of physical chemistry letters","2022","","","1187","1193","10.1021/acs.jpclett.1c04204","","x-ray","0.71073","MoKα","","0.0655","0.058","","","0.1542","0.16","","","","","","1.095","","","","has coordinates","272541","2022-02-04","01:56:23",""
"8000565","6.6196","0.0002","12.2116","0.0003","12.732","0.0003","90","","90.157","0.002","90","","1029.2","0.05","105","4","105","4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H35 N O -","- C24 H35 N O -","- C48 H70 N2 O2 -","2","1","","Hu, Shuhe; Yao, Zhen; Ma, Xuan; Yue, Lei; Chen, Luyao; Liu, Ran; Wang, Peng; Li, Haiyan; Zhang, Shi-Tong; Yao, Dong; Cui, Tian; Zou, Bo; Zou, Guangtian","Pressure-Induced Local Excitation Promotion: New Route toward High-Efficiency Aggregate Emission Based on Multimer Excited State Modulation.","The journal of physical chemistry letters","2022","","","1290","1299","10.1021/acs.jpclett.1c04214","","x-ray","1.54184","CuKα","","0.0382","0.0362","","","0.0949","0.0963","","","","","","1.057","","","","has coordinates","272542","2022-02-04","01:56:44",""
"8000566","7.176","0.0003","11.6702","0.0003","7.2267","0.0004","90","","113.519","0.006","90","","554.93","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3.43 H2.86 N0.57 O1.14 -","- C3.42857 H2.85714 N0.571429 O1.14286 -","- C24 H20 N4 O8 -","7","1.75","","Chen, Yi; Xie, Yujun; Li, Zhen","Room-Temperature Phosphorescence of Nicotinic Acid and Isonicotinic Acid: Efficient Intermolecular Hydrogen-Bond Interaction in Molecular Array.","The journal of physical chemistry letters","2022","13","7","1652","1659","10.1021/acs.jpclett.2c00118","","x-ray","1.54184","CuKα","","0.0779","0.0608","","","0.1596","0.1905","","","","","","1.139","","","","has coordinates","273311","2022-03-04","01:33:06",""
"8000567","6.3923","0.0007","7.2424","0.0009","7.4683","0.0008","103.707","0.01","114.869","0.011","106.137","0.01","275.38","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C12 H10 N2 O4 -","2","1","","Chen, Yi; Xie, Yujun; Li, Zhen","Room-Temperature Phosphorescence of Nicotinic Acid and Isonicotinic Acid: Efficient Intermolecular Hydrogen-Bond Interaction in Molecular Array.","The journal of physical chemistry letters","2022","13","7","1652","1659","10.1021/acs.jpclett.2c00118","","x-ray","1.54184","CuKα","","0.0597","0.0521","","","0.1619","0.189","","","","","","1.0905","","","","has coordinates","273312","2022-03-04","01:33:31",""