# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T14:53:42+01:00
# Query:
# SELECT data.*
# FROM
# data JOIN jaltnames
# ON altname = journal
# WHERE
# (status is null or status != 'retracted') and
# (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemical Science') AND volume = 14 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
"1567970","18.9568","0.0009","8.083","0.0003","19.9282","0.0009","90","","114.25","0.002","90","","2784.1","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[VO(TrPP)]","((5,10,15-triphenyl porphyrinate)-oxovanadium(IV))","","- C38 H24 N4 O V -","- C38 H24 N4 O V -","- C152 H96 N16 O4 V4 -","4","1","","Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta","An exchange coupled meso-meso linked vanadyl porphyrin dimer for quantum information processing.","Chemical science","2022","14","1","61","69","10.1039/d2sc04969d","","","1.54178","CuKα","","0.0876","0.0831","","","0.2182","0.2246","","","","","","1.066","","","","has coordinates","281341","2023-03-04","17:46:57",""
"1567971","20.8648","0.0013","27.1717","0.0013","11.4881","0.0006","90","","90","","90","","6513","0.6","104","","104","","","","","","","","","5","C c c 2","C 2 -2c","37","[VO(TrPP)]2","((m2-5,5',10,10',15,15'-triphenyl-20,20'-bisporphyrinato)-di-oxovanadium(iv))","","- C19 H11.5 N2 O0.5 V0.5 -","- C19 H11.5 N2 O0.5 V0.5 -","- C304 H184 N32 O8 V8 -","16","2","","Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta","An exchange coupled meso-meso linked vanadyl porphyrin dimer for quantum information processing.","Chemical science","2022","14","1","61","69","10.1039/d2sc04969d","","","1.54178","CuKα","","0.0741","0.0733","","","0.218","0.2188","","","","","","1.049","","","","has coordinates","281341","2023-03-04","17:46:57",""
"1567972","29.2955","0.0012","11.3883","0.0005","22.5512","0.0009","90","","96.942","0.002","90","","7468.5","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[VO(TrPP)]2(C7H8)3","((m2-5,5',10,10',15,15'-triphenyl-20,20'-bisporphyrinato)-di-oxovanadium(iv)) toluene tris-solvate","","- C97 H46 N8 O2 V2 -","- C97 H46 N8 O2 V2 -","- C388 H184 N32 O8 V8 -","4","0.5","","Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta","An exchange coupled meso-meso linked vanadyl porphyrin dimer for quantum information processing.","Chemical science","2022","14","1","61","69","10.1039/d2sc04969d","","","1.54178","CuKα","","0.0665","0.0638","","","0.1636","0.1655","","","","","","1.104","","","","has coordinates","281341","2023-03-04","17:46:57",""
"1567996","22.1165","0.0004","22.1165","0.0004","22.1165","0.0004","90","","90","","90","","10818.1","0.3","119.6","0.8","119.6","0.8","","","","","","","","7","P m -3 n","-P 4n 2 3","223","","","","- C42 H42 Cl6 Fe6 N6 O38 Pd3 -","- C42 H42 Cl6 Fe6 N6 O38 Pd3 -","- C168 H168 Cl24 Fe24 N24 O152 Pd12 -","4","0.0833333","","Miguel-Casañ, Eugenia; Darawsheh, Mohanad D.; Fariña-Torres, Víctor; Vitórica-Yrezábal, Iñigo J; Andres-Garcia, Eduardo; Fañanás-Mastral, Martín; Mínguez Espallargas, Guillermo","Heterometallic palladium-iron metal-organic framework as a highly active catalyst for cross-coupling reactions.","Chemical science","2022","14","1","179","185","10.1039/d2sc05192c","","x-ray","0.71073","MoKα","","0.0598","0.0492","","","0.1301","0.137","","","","","","1.05","","","","has coordinates","283151","2023-05-05","00:54:35",""
"1567997","6.0662","0.0001","6.7946","0.0001","13.7817","0.0003","90","","90","","90","","568.046","0.018","137","6","137","6","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C2 H2 I2 O4 Pb Rb2 -","- C2 H2 I2 O4 Pb Rb2 -","- C4 H4 I4 O8 Pb2 Rb4 -","2","0.25","","Zhang, Xiang-Yu; Zhou, Zi-Qi; Bao, Wen-Xiu; Tang, Hong-Xin; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao","New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy.","Chemical science","2022","14","1","136","142","10.1039/d2sc05216d","","x-ray","1.3405","GaKα","","0.0186","0.0185","","","0.0421","0.0421","","","","","","1.128","","","","has coordinates","281340","2023-03-04","17:46:37",""
"1567998","5.8024","0.0001","6.774","0.0002","13.626","0.0004","90","","90","","90","","535.58","0.02","293","2","293","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C2 H2 I2 K2 O4 Pb -","- C2 H2 I2 K2 O4 Pb -","- C4 H4 I4 K4 O8 Pb2 -","2","0.25","","Zhang, Xiang-Yu; Zhou, Zi-Qi; Bao, Wen-Xiu; Tang, Hong-Xin; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao","New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy.","Chemical science","2022","14","1","136","142","10.1039/d2sc05216d","","x-ray","1.3405","GaKα","","0.0193","0.0193","","","0.0465","0.0465","","","","","","1.088","","","","has coordinates","281340","2023-03-04","17:46:37",""
"1567999","19.568","0.004","10.61","0.004","30.314","0.006","90","","90","","90","","6294","3","213","2","293","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C20 H30 Cu3 N6 Na O4 S6 -","- C20 H30 Cu3 N6 Na O4 S6 -","- C160 H240 Cu24 N48 Na8 O32 S48 -","8","0.5","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0416","0.0318","","","0.0722","0.0747","","","","","","1.443","","","","has coordinates","283159","2023-05-05","01:02:33",""
"1568000","9.7142","0.0007","18.2617","0.0016","13.1518","0.0012","90","","97.378","0.003","90","","2313.8","0.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 Ni O4 Pd S4 -","- C18 H22 N2 Ni O4 Pd S4 -","- C72 H88 N8 Ni4 O16 Pd4 S16 -","4","0.5","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0546","0.0321","","","0.0546","0.0598","","","","","","1.021","","","","has coordinates","283159","2023-05-05","01:02:34",""
"1568001","9.7593","0.0007","18.2739","0.0012","13.1854","0.0008","90","","97.317","0.002","90","","2332.3","0.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Co N2 O4 Pd S4 -","- C18 H22 Co N2 O4 Pd S4 -","- C72 H88 Co4 N8 O16 Pd4 S16 -","4","0.5","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0431","0.0287","","","0.0514","0.0555","","","","","","1.029","","","","has coordinates","283159","2023-05-05","01:02:34",""
"1568002","8.4782","0.0004","12.2733","0.0005","19.6523","0.0008","90","","93.668","0.002","90","","2040.74","0.15","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 Ni O6 Pt S4 -","- C13 H16 N2 Ni O6 Pt S4 -","- C52 H64 N8 Ni4 O24 Pt4 S16 -","4","1","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0465","0.0318","","","0.0637","0.0686","","","","","","1.016","","","","has coordinates","283159","2023-05-05","01:02:34",""
"1568003","8.4707","0.001","12.2809","0.0013","19.82","0.002","90","","93.914","0.004","90","","2057","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Co N2 O6 Pt S4 -","- C13 H16 Co N2 O6 Pt S4 -","- C52 H64 Co4 N8 O24 Pt4 S16 -","4","1","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.033","0.0226","","","0.0391","0.0417","","","","","","1.037","","","","has coordinates","283159","2023-05-05","01:02:34",""
"1568004","8.4637","0.0004","12.3085","0.0007","19.8273","0.0011","90","","93.171","0.002","90","","2062.36","0.19","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Co N2 O6 Pd S4 -","- C13 H16 Co N2 O6 Pd S4 -","- C52 H64 Co4 N8 O24 Pd4 S16 -","4","1","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.043","0.0325","","","0.0693","0.0747","","","","","","1.069","","","","has coordinates","283159","2023-05-05","01:02:34",""
"1568005","10.4208","0.0009","10.7638","0.0009","11.9994","0.001","99.167","0.002","94.905","0.002","94.346","0.002","1318.41","0.19","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 O2 P -","- C37 H27 O2 P -","- C74 H54 O4 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0968","0.0572","","","0.1114","0.1248","","","","","","1.031","","","","has coordinates","282621","2023-04-13","12:20:28",""
"1568006","9.0075","0.0006","15.4256","0.0007","20.8849","0.0016","90","","93.52","0.002","90","","2896.4","0.3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 B F4.03 N P -","- C38 H29 B F3.949 N P -","- C152 H116 B4 F15.796 N4 P4 -","4","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.1432","0.0619","","","0.1245","0.1543","","","","","","1.01","","","","has coordinates,has disorder","282621","2023-04-13","12:20:29",""
"1568007","10.796","0.002","12.644","0.003","12.984","0.003","86.86","0.03","86.71","0.03","79.67","0.03","1739","0.7","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H31 Au B Cl3 F4 N P -","- C39 H31 Au B Cl3 F4 N P -","- C78 H62 Au2 B2 Cl6 F8 N2 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0596","0.0419","","","0.0802","0.0858","","","","","","1.021","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568008","8.73","0.0005","13.2735","0.0007","14.5419","0.0008","80.962","0.002","75.294","0.001","80.841","0.002","1597.04","0.15","110","","110","","","","","","","","","9","P -1","-P 1","2","","","","- C34 H25 Au Cl F3 N O4 P S -","- C34 H25 Au Cl F3 N O4 P S -","- C68 H50 Au2 Cl2 F6 N2 O8 P2 S2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0186","0.017","","","0.0404","0.0412","","","","","","1.043","","","","has coordinates,has disorder","282621","2023-04-13","12:20:29",""
"1568009","8.0558","0.0004","13.0237","0.0006","13.3743","0.0006","89.998","0.001","86.084","0.001","84.721","0.001","1393.94","0.11","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H26 B F4 O P -","- C37 H26 B F4 O P -","- C74 H52 B2 F8 O2 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0734","0.0592","","","0.1518","0.1621","","","","","","1.078","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568010","10.4379","0.0003","12.0326","0.0004","12.5622","0.0004","79.075","0.001","70.549","0.001","74.216","0.001","1423.07","0.08","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Au B Cl O P -","- C36 H26 Au B Cl O P -","- C72 H52 Au2 B2 Cl2 O2 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","x-ray","0.71073","MoKα","","0.0153","0.014","","","0.0326","0.033","","","","","","1.09","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568011","31.863","0.004","9.1593","0.0011","25.398","0.004","90","","113.066","0.007","90","","6819.6","1.6","110","","110","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C77 H56 Au2 Cl4 F6 O9 P2 S2 -","- C77 H56 Au2 Cl4 F6 O9 P2 S2 -","- C308 H224 Au8 Cl16 F24 O36 P8 S8 -","4","0.5","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0725","0.0406","","","0.0806","0.0941","","","","","","1.033","","","","has coordinates,has disorder","282621","2023-04-13","12:20:29",""
"1568013","10.939","0.0006","13.109","0.0006","18.4122","0.001","85.943","0.004","80.643","0.004","72.033","0.004","2477.5","0.2","173.01","0.1","173.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 Cl7 P2 Re -","- C54 H46 Cl7 P2 Re -","- C108 H92 Cl14 P4 Re2 -","2","1","","Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Synthesis and characterization of bi(metallacycloprop-1-ene) complexes.","Chemical science","2022","14","1","96","102","10.1039/d2sc05378k","","x-ray","1.54184","CuKα","","0.0324","0.0283","","","0.0678","0.0699","","","","","","1.025","","","","has coordinates","281339","2023-03-04","17:46:30",""
"1568014","11.082","0.0002","18.4374","0.0003","15.6667","0.0003","90","","107.276","0.002","90","","3056.66","0.1","100.01","0.1","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Cl3 P2 Re -","- C32 H36 Cl3 P2 Re -","- C128 H144 Cl12 P8 Re4 -","4","0.5","","Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Synthesis and characterization of bi(metallacycloprop-1-ene) complexes.","Chemical science","2022","14","1","96","102","10.1039/d2sc05378k","","x-ray","1.54184","CuKα","","0.0174","0.0167","","","0.0417","0.0421","","","","","","1.041","","","","has coordinates","281339","2023-03-04","17:46:30",""
"1568015","23.4928","0.0003","11.58031","0.00015","13.76598","0.00019","90","","90","","90","","3745.09","0.09","220.02","0.1","220.02","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H38 Cl3 P2 Re -","- C42 H38 Cl3 P2 Re -","- C168 H152 Cl12 P8 Re4 -","4","1","","Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Synthesis and characterization of bi(metallacycloprop-1-ene) complexes.","Chemical science","2022","14","1","96","102","10.1039/d2sc05378k","","x-ray","1.54184","CuKα","","0.0394","0.0357","","","0.0952","0.0996","","","","","","1.002","","","","has coordinates","281339","2023-03-04","17:46:30",""
"1568016","14.6467","0.0011","14.7349","0.0012","18.2076","0.0014","90","","90","","90","","3929.5","0.5","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22.31 H21.62 Cl0.62 N3 O2 -","- C22.3114 H21.6228 Cl0.6228 N3 O2 -","- C178.491 H172.982 Cl4.9824 N24 O16 -","8","2","","Luo, Mu-Peng; Gu, Yi-Jie; Wang, Shou-Guo","Photocatalytic enantioselective Minisci reaction of β-carbolines and application to natural product synthesis.","Chemical science","2023","14","2","251","256","10.1039/d2sc05313f","","x-ray","1.34138","GaKα","","0.0385","0.0364","","","0.1036","0.1048","","","","","","1.045","","","","has coordinates,has disorder","281364","2023-03-04","17:54:17",""
"1568021","17.5318","0.0003","17.5318","0.0003","17.5318","0.0003","90","","90","","90","","5388.64","0.16","293","2","293.15","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C120 H96 Cu6 F36 N32 Si6 -","- C120 H96 Cu6 F36 N32 Si6 -","- C120 H96 Cu6 F36 N32 Si6 -","1","0.0208333","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","0.71073","MoKα","","0.0632","0.053","","","0.1725","0.1813","","","","","","1.133","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04",""
"1568022","17.5254","0.0005","17.5254","0.0005","17.5254","0.0005","90","","90","","90","","5382.7","0.3","100","2","100","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C32 H32 Cu F6 N5.33 Si -","- C32 H32 Cu F6 N5.33333 Si -","- C192 H192 Cu6 F36 N32 Si6 -","6","0.125","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","1.54178","CuKα","","0.0523","0.0514","","","0.1982","0.1993","","","","","","1.19","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04",""
"1568023","17.4998","0.0005","17.4998","0.0005","17.4998","0.0005","90","","90","","90","","5359.2","0.3","101","2","101","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C29 H34 Cu F6 N5.33 Si -","- C29 H34 Cu F6 N5.33333 Si -","- C174 H204 Cu6 F36 N32 Si6 -","6","0.125","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","0.71073","MoKα","","0.1082","0.0926","","","0.2925","0.3134","","","","","","1.106","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04",""
"1568024","17.5051","0.0003","17.5051","0.0003","17.5051","0.0003","90","","90","","90","","5364.06","0.16","102","2","102","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C20 H16 Cu F6 N5.33 Si -","- C20 H16 Cu F6 N5.33333 Si -","- C120 H96 Cu6 F36 N32 Si6 -","6","0.125","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","0.71073","MoKα","","0.0457","0.0362","","","0.111","0.1174","","","","","","1.24","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04",""
"1568025","21.815","0.002","24.526","0.003","8.429","0.002","90","","95.275","0.003","90","","4490.7","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H51 N5 O4 -","- C59 H51 N5 O4 -","- C236 H204 N20 O16 -","4","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular SNAr reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","0.61992","synchrotron","","0.0647","0.0536","","","0.1517","0.1642","","","","","","1.088","","","","has coordinates","283161","2023-05-05","01:03:25",""
"1568026","8.3457","0.0003","9.3455","0.0003","17.6411","0.0006","95.16","0.002","99.293","0.002","115.715","0.002","1203.41","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","1","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular SNAr reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.0796","0.0684","","","0.1687","0.1819","","","","","","1.055","","","","has coordinates","283161","2023-05-05","01:03:29",""
"1568027","8.2004","0.0005","31.668","0.002","10.204","0.0007","90","","99.25","0.003","90","","2615.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N2 O2 -","- C36 H28 N2 O2 -","- C144 H112 N8 O8 -","4","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular SNAr reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.1092","0.0981","","","0.2526","0.2588","","","","","","1.152","","","","has coordinates","283161","2023-05-05","01:03:36",""
"1568028","16.7768","0.0015","17.5515","0.0016","17.6585","0.0016","104.872","0.006","90.047","0.005","109.465","0.006","4717","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","- C240 H208 N16 O16 -","4","2","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular SNAr reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.2027","0.1799","","","0.4843","0.4979","","","","","","1.059","","","","has coordinates","283161","2023-05-05","01:03:47",""
"1568029","8.202","0.009","14.428","0.005","24.669","0.01","90.012","0.004","85.889","0.011","90.023","0.014","2912","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H65 N3 O4 -","- C79 H65 N3 O4 -","- C158 H130 N6 O8 -","2","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular SNAr reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","0.61991","synchrotron","","0.2304","0.1799","","","0.5023","0.542","","","","","","1.04","","","","has coordinates,has disorder","283161","2023-05-05","01:03:47",""
"1568030","16.958","0.0011","17.1701","0.0011","17.8837","0.0011","104.311","0.002","109.776","0.002","90.172","0.002","4726.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H53 N3 O4 -","- C61 H53 N3 O4 -","- C244 H212 N12 O16 -","4","2","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular SNAr reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.0752","0.0725","","","0.1982","0.1998","","","","","","1.061","","","","has coordinates,has disorder","283161","2023-05-05","01:03:47",""
"1568032","29.0838","0.0011","16.4902","0.0008","38.9836","0.0011","90","","94.942","0.003","90","","18626.9","1.3","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H80 F6 N4 O4 P5 Re2 -","- C84 H80 F6 N4 O4 P5 Re2 -","- C672 H640 F48 N32 O32 P40 Re16 -","8","1","","Takahashi, Maria; Asatani, Tsuyoshi; Morimoto, Tatsuki; Kamakura, Yoshinobu; Fujii, Kotaro; Yashima, Masatomo; Hosokawa, Naoki; Tamaki, Yusuke; Ishitani, Osamu","Supramolecular multi-electron redox photosensitisers comprising a ring-shaped Re(i) tetranuclear complex and a polyoxometalate.","Chemical science","2023","14","3","691","704","10.1039/d2sc04252e","","","0.71073","MoKα","","0.141","0.0894","","","0.247","0.2719","","","","","","1.073","","","","has coordinates","281401","2023-03-04","18:06:45",""
"1568033","18.8254","0.0003","23.1045","0.0003","33.0343","0.0004","101.307","0.001","101.064","0.001","112.648","0.001","12422.4","0.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C168 H160 N8 O48 P8 Re4 Si W12 -","- C168 H160 N8 O48 P8 Re4 Si W12 -","- C336 H320 N16 O96 P16 Re8 Si2 W24 -","2","1","","Takahashi, Maria; Asatani, Tsuyoshi; Morimoto, Tatsuki; Kamakura, Yoshinobu; Fujii, Kotaro; Yashima, Masatomo; Hosokawa, Naoki; Tamaki, Yusuke; Ishitani, Osamu","Supramolecular multi-electron redox photosensitisers comprising a ring-shaped Re(i) tetranuclear complex and a polyoxometalate.","Chemical science","2023","14","3","691","704","10.1039/d2sc04252e","","","0.71073","MoKα","","0.0629","0.0498","","","0.1463","0.1533","","","","","","1.08","","","","has coordinates","281401","2023-03-04","18:06:45",""
"1568034","9.7229","0.0006","11.8712","0.0008","15.4592","0.001","90","","90","","90","","1784.3","0.2","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 B Br F4 N4 O -","- C17 H16 B Br F4 N4 O -","- C68 H64 B4 Br4 F16 N16 O4 -","4","1","","Duan, Zhuan; Young, Claire M.; Zhu, Jiayun; Slawin, Alexandra M. Z.; O'Donoghue, AnnMarie C; Smith, Andrew D.","Rate and equilibrium constants for the addition of triazolium salt derived N-heterocyclic carbenes to heteroaromatic aldehydes.","Chemical science","2022","14","1","162","170","10.1039/d2sc05704b","","","0.71075","MoKα","","0.0482","0.0301","","","0.0587","0.0626","","","","","","0.973","","","","has coordinates","281337","2023-03-04","17:46:09",""
"1568035","10.965","0.0007","11.6978","0.0007","13.6443","0.0009","111.74","0.003","101.903","0.003","90.098","0.003","1584.79","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H68 Br6 Mn5 O22 -","- C44 H68 Br6 Mn5 O22 -","- C44 H68 Br6 Mn5 O22 -","1","0.5","","Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter","Selective oxidation of silanes into silanols with water using [MnBr(CO)5] as a precatalyst.","Chemical science","2022","14","1","54","60","10.1039/d2sc05959b","","","0.71073","MoKα","","0.0647","0.0477","","","0.1272","0.1428","","","","","","1.092","","","","has coordinates","283152","2023-05-05","00:55:06",""
"1568036","8.0671","0.0002","15.0932","0.0004","22.4852","0.0006","90","","90","","90","","2737.76","0.12","233","2","233","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H22 O2 Si -","- C13 H22 O2 Si -","- C104 H176 O16 Si8 -","8","1","","Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter","Selective oxidation of silanes into silanols with water using [MnBr(CO)5] as a precatalyst.","Chemical science","2022","14","1","54","60","10.1039/d2sc05959b","","","0.71073","MoKα","","0.0667","0.0444","","","0.1069","0.1205","","","","","","1.082","","","","has coordinates","283152","2023-05-05","00:55:09",""
"1568037","12.9559","0.0007","10.4977","0.0006","28.982","0.002","90","","95.735","0.002","90","","3922","0.4","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","WLG-EA-494-02","","","- C16 H22 O3 Si2 -","- C16 H22 O3 Si2 -","- C128 H176 O24 Si16 -","8","2","","Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter","Selective oxidation of silanes into silanols with water using [MnBr(CO)5] as a precatalyst.","Chemical science","2022","14","1","54","60","10.1039/d2sc05959b","","","0.71073","MoKα","","0.0634","0.053","","","0.1353","0.1426","","","","","","1.054","","","","has coordinates","283152","2023-05-05","00:55:11",""
"1568040","15.6935","0.0012","17.9065","0.0014","25.3093","0.0016","102.029","0.006","94.298","0.006","105.192","0.007","6649.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H133.5 Cl4.5 F6 N13 O9 -","- C156 H133.5 Cl4.5 F6 N13 O9 -","- C312 H267 Cl9 F12 N26 O18 -","2","1","","Mirabella, Chiara F. M.; Aragay, Gemma; Ballester, Pablo","Influence of the solvent in the self-assembly and binding properties of [1 + 1] tetra-imine bis-calix[4]pyrrole cages.","Chemical science","2022","14","1","186","195","10.1039/d2sc05311j","","","0.71075","MoKα","","0.2282","0.1279","","","0.2844","0.3425","","","","","","1.043","","","","has coordinates,has disorder","281336","2023-03-04","17:46:01",""
"1568041","7.6531","0.0005","10.1518","0.0007","18.1461","0.0013","90","","90","","90","","1409.82","0.17","219","","219","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O3 S -","- C16 H14 O3 S -","- C64 H56 O12 S4 -","4","1","","Kong, Lingheng; Zou, Yun; Li, Xiao-Xi; Zhang, Xue-Peng; Li, Xingwei","Rhodium-catalyzed enantioselective C-H alkynylation of sulfoxides in diverse patterns: desymmetrization, kinetic resolution, and parallel kinetic resolution.","Chemical science","2023","14","2","317","322","10.1039/d2sc05310a","","","1.54178","CuKα","","0.0242","0.0233","","","0.0611","0.0617","","","","","","1.091","","","","has coordinates","281366","2023-03-04","17:55:12",""
"1568042","7.6856","0.0003","10.0965","0.0004","18.0404","0.0008","90","","90","","90","","1399.89","0.1","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","Kong, Lingheng; Zou, Yun; Li, Xiao-Xi; Zhang, Xue-Peng; Li, Xingwei","Rhodium-catalyzed enantioselective C-H alkynylation of sulfoxides in diverse patterns: desymmetrization, kinetic resolution, and parallel kinetic resolution.","Chemical science","2023","14","2","317","322","10.1039/d2sc05310a","","","0.71073","MoKα","","0.0358","0.0342","","","0.0863","0.0877","","","","","","1.076","","","","has coordinates","281366","2023-03-04","17:55:12",""
"1568044","11.4709","0.0016","9.6054","0.0015","10.811","0.002","90","","90","","90","","1191.2","0.3","193","","193","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C15 H12 B3 N3 O3 -","- C15 H12 B3 N3 O3 -","- C30 H24 B6 N6 O6 -","2","0.25","","Wang, Weize; Wang, Linxia; Du, Fei; Wang, Gang-Ding; Hou, Lei; Zhu, Zhonghua; Liu, Bo; Wang, Yao-Yu","Dative B←N bonds based crystalline organic framework with permanent porosity for acetylene storage and separation.","Chemical science","2023","14","3","533","539","10.1039/d2sc06016g","","","0.71073","MoKα","","0.113","0.0689","","","0.1892","0.2157","","","","","","1.041","","","","has coordinates","281398","2023-03-04","18:05:31",""
"1568045","10.6821","0.0002","12.0842","0.0001","17.057","0.0002","93.142","0.001","105.229","0.001","97.685","0.001","2096.06","0.05","100.2","0.5","100.2","0.5","","","","","","","","3","P 1","P 1","1","","","","- C51 H58 O5 -","- C51 H58 O5 -","- C102 H116 O10 -","2","2","","Zhang, Xin; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently chiral calixarenes by a catalytic enantioselective desymmetrizing cross-dehydrogenative coupling.","Chemical science","2023","14","4","827","832","10.1039/d2sc06234h","","x-ray","1.54184","CuKα","","0.063","0.0541","","","0.1401","0.1667","","","","","","1.085","","","","has coordinates,has disorder","281363","2023-03-04","17:54:07",""
"1568046","9.359","0.0001","12.7052","0.0001","18.7749","0.0001","80.266","0.001","79.829","0.001","76.85","0.001","2120.34","0.03","172.99","0.1","172.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C51 H56 O5 -","- C51 H56 O5 -","- C102 H112 O10 -","2","1","","Zhang, Xin; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently chiral calixarenes by a catalytic enantioselective desymmetrizing cross-dehydrogenative coupling.","Chemical science","2023","14","4","827","832","10.1039/d2sc06234h","","x-ray","1.54184","CuKα","","0.0683","0.062","","","0.1623","0.1663","","","","","","1.078","","","","has coordinates,has disorder","281363","2023-03-04","17:54:07",""
"1568047","17.8746","0.0012","9.0854","0.0005","18.3865","0.0012","90","","90","","90","","2985.9","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[Hf(Cp'')2Cl2]","","- C22 H42 Cl2 Hf Si4 -","- C22 H42 Cl2 Hf Si4 -","- C88 H168 Cl8 Hf4 Si16 -","4","0.5","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","0.71073","MoKα","","0.0964","0.0533","","","0.1095","0.1303","","","","","","1.064","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568048","10.7367","0.0003","11.5169","0.0003","13.3589","0.0004","73.257","0.003","83.329","0.002","78.423","0.002","1546.66","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","[{Nd(Cp'')2(uI)}2]","","- C44 H84 I2 Nd2 Si8 -","- C44 H84 I2 Nd2 Si8 -","- C44 H84 I2 Nd2 Si8 -","1","0.5","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0391","0.0374","","","0.098","0.0993","","","","","","1.058","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568049","10.2297","0.0002","23.3116","0.0004","18.6778","0.0004","90","","101.213","0.002","90","","4369.08","0.15","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","[Ti(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Si8 Ti -","- C31 H69 Si8 Ti -","- C124 H276 Si32 Ti4 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","0.71073","MoKα","","0.031","0.0279","","","0.0696","0.0708","","","","","","1.033","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568050","17.9162","0.001","13.3218","0.0007","20.3331","0.0016","90","","111.465","0.008","90","","4516.4","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[La(C5H3(1,3-SiMe))2{Si(SiMe3)3}]","","- C31 H69 La Si8 -","- C31 H69 La Si8 -","- C124 H276 La4 Si32 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","0.71073","MoKα","","0.0802","0.0604","","","0.1375","0.1479","","","","","","1.135","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10",""
"1568051","10.6833","0.0004","11.4914","0.0004","13.2297","0.0005","73.117","0.004","83.273","0.003","78.875","0.004","1521.72","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[U(C5H3(1,3-SiMe3))2(I)]2","","- C44 H84 I2 Si8 U2 -","- C44 H84 I2 Si8 U2 -","- C44 H84 I2 Si8 U2 -","1","0.5","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0454","0.0441","","","0.114","0.1151","","","","","","1.035","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568052","17.8079","0.0006","13.2758","0.0003","20.3529","0.0006","90","","111.045","0.003","90","","4490.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Ce(C5H3-1,3-SiMe3)2{Si(SiMe3)3}]","","- C31 H69 Ce Si8 -","- C31 H69 Ce Si8 -","- C124 H276 Ce4 Si32 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0712","0.0679","","","0.1921","0.1936","","","","","","1.103","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10",""
"1568053","37.0378","0.0004","11.7708","0.0001","20.1996","0.0003","90","","90","","90","","8806.31","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","[Zr(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Si8 Zr -","- C31 H69 Si8 Zr -","- C248 H552 Si64 Zr8 -","8","2","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0425","0.0398","","","0.1029","0.1045","","","","","","1.045","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568054","17.9833","0.0008","13.2292","0.0005","20.4047","0.0013","90","","111.407","0.006","90","","4519.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[U(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Si8 U -","- C31 H69 Si8 U -","- C124 H276 Si32 U4 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0621","0.0503","","","0.1228","0.1288","","","","","","1.041","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10",""
"1568055","17.7679","0.0005","13.2234","0.0003","20.37","0.0006","90","","110.891","0.003","90","","4471.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Nd(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Nd Si8 -","- C31 H69 Nd Si8 -","- C124 H276 Nd4 Si32 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0704","0.068","","","0.2133","0.2147","","","","","","1.119","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10",""
"1568056","20.1187","0.0009","16.7884","0.0009","8.3834","0.0003","90","","102.468","0.004","90","","2764.8","0.2","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N2 O2 -","- C18 H15 N2 O2 -","- C144 H120 N16 O16 -","8","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized via the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.0972","0.0541","","","0.1329","0.1605","","","","","","1.052","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04",""
"1568057","8.0994","0.0003","11.7159","0.0008","21.0793","0.0012","102.21","0.005","97.445","0.004","96.128","0.004","1919.86","0.19","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Cl2 N4 O4 -","- C50 H34 Cl2 N4 O4 -","- C100 H68 Cl4 N8 O8 -","2","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized via the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.1216","0.084","","","0.2193","0.2513","","","","","","1.035","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04",""
"1568058","9.5098","0.0002","20.5556","0.0003","15.4387","0.0002","90","","95.024","0.002","90","","3006.36","0.09","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Co N2 O2 -","- C39 H33 Co N2 O2 -","- C156 H132 Co4 N8 O8 -","4","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized via the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.0761","0.0685","","","0.1925","0.2028","","","","","","1.033","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04",""
"1568059","34.9018","0.0013","59.974","0.003","7.6088","0.0003","90","","90","","90","","15926.7","1.2","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C52 H49 N4 O4 -","- C52 H49 N4 O4 -","- C832 H784 N64 O64 -","16","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized via the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.1163","0.0706","","","0.1505","0.1863","","","","","","1.015","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04",""
"1568061","8.7151","0.0003","9.8582","0.0003","14.979","0.0004","109.017","0.001","94.596","0.001","107.711","0.001","1135.83","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Sorazolon E2","1,1',2,2'-Tetramethyl-9H,9'H-[4,4'-bicarbazole]-3,3'-diol","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C58 H56 N4 O6 -","2","1","","Schuh, Tristan; Kataeva, Olga; Knölker, Hans-Joachim","μ-Oxo-bis[(octacosafluoro-meso-tetraphenylporphyrinato)iron(iii)] - synthesis, crystal structure, and catalytic activity in oxidation reactions.","Chemical science","2023","14","2","257","265","10.1039/d2sc06083c","","","0.71073","MoKα","","0.0641","0.0573","","","0.1551","0.1624","","","","","","1.028","","","","has coordinates","283160","2023-05-05","01:02:57",""
"1568062","29.489","0.007","29.489","","20.678","0.005","90","","90","","90","","17982","6","150","2","150","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","μ-Oxo-bis[(octacosafluoro-meso-tetraphenylporphyrinato)iron(III)]","","- C88 H4 F56 Fe2 N8 O3 -","- C88 F56 Fe2 N8 O3 -","- C704 F448 Fe16 N64 O24 -","8","0.5","","Schuh, Tristan; Kataeva, Olga; Knölker, Hans-Joachim","μ-Oxo-bis[(octacosafluoro-meso-tetraphenylporphyrinato)iron(iii)] - synthesis, crystal structure, and catalytic activity in oxidation reactions.","Chemical science","2023","14","2","257","265","10.1039/d2sc06083c","","","0.71073","MoKα","","0.0656","0.0461","","","0.1364","0.1568","","","","","","1.076","","","","has coordinates","283160","2023-05-05","01:03:00",""
"1568063","15.496","0.0001","15.496","0.0001","53.7557","0.0007","90","","90","","120","","11178.8","0.18","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C55 H104 O24 Ti6 -","- C54.9999 H104 O24 Ti6 -","- C329.999 H623.999 O144 Ti36 -","6","0.333333","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti6O6(OR)6(O2C t Bu)6]: mechanism, photoactivated structures, and onward reactivity with O2 to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.1274","0.1217","","0.3993","0.3932","0.394","","","","","","1.9014","","","","has coordinates,has disorder","281395","2023-03-04","18:03:45",""
"1568064","13.2495","0.0003","13.414","0.0004","14.7584","0.0004","63.032","0.003","64.038","0.002","65.591","0.003","2024.99","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30.5 H61 O13 Ti3 -","- C30.5 H61 O13 Ti3 -","- C61 H122 O26 Ti6 -","2","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti6O6(OR)6(O2C t Bu)6]: mechanism, photoactivated structures, and onward reactivity with O2 to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.0776","0.0631","","0.1734","0.1638","0.1734","","","","","","1.007","","","","has coordinates,has disorder","281395","2023-03-04","18:03:55",""
"1568065","21.4239","0.0002","15.2022","0.0002","25.1197","0.0003","90","","90","","90","","8181.25","0.16","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C31 H67.75 O11 Ti2 -","- C31 H67.75 O11 Ti2 -","- C248 H542 O88 Ti16 -","8","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti6O6(OR)6(O2C t Bu)6]: mechanism, photoactivated structures, and onward reactivity with O2 to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.0877","0.0789","","0.2302","0.2212","0.2302","","","","","","0.987","","","","has coordinates,has disorder","281395","2023-03-04","18:04:05",""
"1568066","11.4703","0.0002","12.9048","0.0002","22.7941","0.0004","84.7647","0.0014","87.1313","0.0013","76.867","0.0015","3270.58","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H96 O24 Ti6 -","- C48 H96 O24 Ti6 -","- C96 H192 O48 Ti12 -","2","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti6O6(OR)6(O2C t Bu)6]: mechanism, photoactivated structures, and onward reactivity with O2 to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.0611","0.0556","","0.1559","0.1518","0.1559","","","","","","0.9973","","","","has coordinates,has disorder","281395","2023-03-04","18:04:15",""
"1568067","14.4104","0.0003","20.6054","0.0007","24.3253","0.0006","90","","97.146","0.002","90","","7166.9","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ti6O6(OiPr)4(pyridine)(O2)(O2CCMe3)6","","- C47.57 H88.14 Cl1.14 N O24 Ti6 -","- C47.568 H88.136 Cl1.136 N O24 Ti6 -","- C190.272 H352.544 Cl4.544 N4 O96 Ti24 -","4","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti6O6(OR)6(O2C t Bu)6]: mechanism, photoactivated structures, and onward reactivity with O2 to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.5418","CuKα","","0.1337","0.1089","","0.2815","0.26","0.2815","","","","","","1.0047","","","","has coordinates,has disorder","281395","2023-03-04","18:04:15",""
"1568068","14.5668","0.0001","24.3499","0.0001","21.7724","0.0001","90","","106.66","0.0005","90","","7398.48","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H100 N2 O22 Ti6 -","- C59 H100 N2 O22 Ti6 -","- C236 H400 N8 O88 Ti24 -","4","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti6O6(OR)6(O2C t Bu)6]: mechanism, photoactivated structures, and onward reactivity with O2 to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.064","0.0627","","0.169","0.1679","0.169","","","","","","1.0227","","","","has coordinates","281395","2023-03-04","18:04:15",""
"1568069","11.7156","0.0001","11.7156","0.0001","76.442","0.0006","90","","90","","120","","9086.4","0.13","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H68 F N4 O13.2 S1.6 -","- C54 H67.9998 F N4 O13.1998 S1.5999 -","- C324 H407.999 F6 N24 O79.1988 S9.5994 -","6","0.333333","","Lin, Yannan; Du, Kang; Gau, Michael R.; Dmochowski, Ivan J.","Turn-on fluorescent capsule for selective fluoride detection and water purification.","Chemical science","2023","14","2","291","297","10.1039/d2sc05352g","","x-ray","1.54184","CuKα","","0.0914","0.0881","","","0.2744","0.2794","","","","","","1.05","","","","has coordinates,has disorder","281369","2023-03-04","17:56:03",""
"1568074","34.3683","0.0007","28.4432","0.0005","5.4447","0.0001","90","","90","","90","","5322.44","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C66 H58 F16 S8 -","- C48 H16 F16 S8 -","- C192 H64 F64 S32 -","4","1","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S8-corona[n]arenes (n = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","","0.6889","synchrotron","","0.0777","0.0612","","","0.1794","0.1926","","","","","","1.03","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568075","13.6071","0.0003","14.6029","0.0003","15.3344","0.0003","97.914","0.002","98.988","0.002","110.147","0.002","2764.52","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H32 F16 O2 S8 -","- C48 H16 F16 S8 -","- C96 H32 F32 S16 -","2","1","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S8-corona[n]arenes (n = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","x-ray","1.54184","CuKα","","0.1338","0.1245","","","0.3507","0.3658","","","","","","1.633","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568076","9.5286","0.0002","10.3554","0.0002","14.25","0.0004","75.54","0.002","89.177","0.002","73.34","0.002","1301.9","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H32 F16 S8 -","- C56 H32 F16 S8 -","- C56 H32 F16 S8 -","1","0.5","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S8-corona[n]arenes (n = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","","0.6889","Synchrotron","","0.0801","0.0486","","","0.1263","0.137","","","","","","1.016","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568077","19.8473","0.0002","19.8473","0.0002","13.1934","0.0001","90","","90","","90","","5197.08","0.08","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C54 H30 F16 N2 O2 S8 -","- C48 H16 F16 S8 -","- C192 H64 F64 S32 -","4","0.5","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S8-corona[n]arenes (n = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","","0.6889","Synchrotron","","0.0635","0.0529","","","0.1436","0.149","","","","","","1.046","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568078","6.7916","0.0016","13.818","0.004","15.064","0.004","78.57","0.02","81.39","0.02","82.79","0.02","1363.3","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H17 Cl3 F16 S8 -","- C49 H17 Cl3 F16 S8 -","- C49 H17 Cl3 F16 S8 -","1","0.5","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S8-corona[n]arenes (n = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","x-ray","1.54184","CuKα","","0.2063","0.1755","","","0.4535","0.4768","","","","","","2.287","","","","has coordinates,has disorder","281335","2023-03-04","17:45:48",""
"1568079","5.89701","0.00012","32.2682","0.0003","16.4767","0.0003","90","","95.0947","0.0016","90","","3122.9","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H36 F16 N4 S8 -","- C68 H36 F16 N4 S8 -","- C136 H72 F32 N8 S16 -","2","0.5","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S8-corona[n]arenes (n = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","","0.6889","Synchrotron","","0.0782","0.0459","","","0.1295","0.139","","","","","","1.076","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568080","16.249","0.0005","10.644","0.0003","19.0878","0.0005","90","","96.071","0.003","90","","3282.8","0.16","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H108 Mg2 O6 -","- C70 H108 Mg2 O6 -","- C140 H216 Mg4 O12 -","2","0.5","","Zhao, Xue; Ratanasak, Manussada; Kon, Kazumasa; Hasegawa, Jun-Ya; Ishihara, Kazuaki","Bulky magnesium(ii) and sodium(i) bisphenoxide catalysts for chemoselective transesterification of methyl (meth)acrylates.","Chemical science","2023","14","3","566","572","10.1039/d2sc05413b","","x-ray","0.71073","MoKα","","0.0904","0.0659","","","0.1699","0.1828","","","","","","1.044","","","","has coordinates,has disorder","281397","2023-03-04","18:05:23",""
"1568081","13.2993","0.0004","14.9598","0.0004","23.1561","0.0007","90","","92.864","0.003","90","","4601.3","0.2","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H78 Na2 O6 -","- C47 H78 Na2 O6 -","- C188 H312 Na8 O24 -","4","0.5","","Zhao, Xue; Ratanasak, Manussada; Kon, Kazumasa; Hasegawa, Jun-Ya; Ishihara, Kazuaki","Bulky magnesium(ii) and sodium(i) bisphenoxide catalysts for chemoselective transesterification of methyl (meth)acrylates.","Chemical science","2023","14","3","566","572","10.1039/d2sc05413b","","x-ray","0.71073","MoKα","","0.08","0.0572","","","0.1358","0.1463","","","","","","1.016","","","","has coordinates","281397","2023-03-04","18:05:23",""
"1568084","9.0104","0.0004","13.7067","0.0005","24.3591","0.0009","84.789","0.003","81.573","0.003","89.49","0.003","2963.6","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H62 N4 O7 S2 -","- C68 H62 N4 O7 S2 -","- C136 H124 N8 O14 S4 -","2","1","","Wang, Junjun; Li, Hao; Zhu, Yicai; Yang, Mingdi; Huang, Jing; Zhu, Xiaojiao; Yu, Zhi-Peng; Lu, Zhou; Zhou, Hongping","Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns.","Chemical science","2023","14","2","323","330","10.1039/d2sc06445f","","x-ray","1.54186","CuKα","","0.0751","0.048","","","0.114","0.1246","","","","","","1.033","","","","has coordinates","281367","2023-03-04","17:55:27",""
"1568085","9.561","0.006","10.771","0.01","32.42","0.02","89.714","0.012","83.055","0.008","76.393","0.007","3220","4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34.5 N2 O4.5 S -","- C35 H34.5 N2 O4.5 S -","- C140 H138 N8 O18 S4 -","4","2","","Wang, Junjun; Li, Hao; Zhu, Yicai; Yang, Mingdi; Huang, Jing; Zhu, Xiaojiao; Yu, Zhi-Peng; Lu, Zhou; Zhou, Hongping","Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns.","Chemical science","2023","14","2","323","330","10.1039/d2sc06445f","","","0.71073","MoKα","","0.2812","0.1398","","","0.3571","0.4413","","","","","","1.108","","","","has coordinates","281367","2023-03-04","17:55:27",""
"1568086","8.8587","0.0016","10.6137","0.0019","14.364","0.003","90.75","0.003","90.402","0.003","96.359","0.003","1342.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 Au Cl N O2 P -","- C32 H26 Au Cl N O2 P -","- C64 H52 Au2 Cl2 N2 O4 P2 -","2","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0535","0.0427","","","0.0802","0.0827","","","","","","0.945","","","","has coordinates","281399","2023-03-04","18:05:55",""
"1568087","8.686","0.0018","10.558","0.002","15.503","0.003","80.834","0.003","74.403","0.004","89.873","0.004","1350.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 Au N O2 P -","- C33 H29 Au N O2 P -","- C66 H58 Au2 N2 O4 P2 -","2","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0459","0.0385","","","0.077","0.079","","","","","","0.967","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568088","13.325","0.005","12.768","0.005","16.802","0.007","90","","102.997","0.007","90","","2785.4","1.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H32 Au O2 P -","- C31 H32 Au O2 P -","- C124 H128 Au4 O8 P4 -","4","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0896","0.074","","","0.1663","0.1743","","","","","","1.011","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568089","11.632","0.003","11.016","0.003","20.856","0.005","90","","100.801","0.005","90","","2625.1","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Au F2 O3 P -","- C31 H22 Au F2 O3 P -","- C124 H88 Au4 F8 O12 P4 -","4","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0811","0.052","","","0.0944","0.1035","","","","","","0.923","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568090","16.005","0.006","12.135","0.004","16.626","0.006","90","","99.248","0.006","90","","3187","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Au Cl N O4 P -","- C37 H30 Au Cl N O4 P -","- C148 H120 Au4 Cl4 N4 O16 P4 -","4","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0578","0.0426","","","0.091","0.0952","","","","","","0.987","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568091","13.2107","0.0004","12.0368","0.0004","17.3384","0.0006","90","","96.519","0.002","90","","2739.23","0.16","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H28 Au O3 P -","- C32 H28 Au O3 P -","- C128 H112 Au4 O12 P4 -","4","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","1.54178","CuKα","","0.0526","0.0486","","","0.1243","0.1273","","","","","","1.055","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568092","11.146","0.002","24.058","0.005","42.262","0.008","90","","90","","90","","11333","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H25 Au Cl2 N O2 P -","- C32 H25 Au Cl2 N O2 P -","- C512 H400 Au16 Cl32 N16 O32 P16 -","16","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.1027","0.0619","","","0.0949","0.1032","","","","","","1.072","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568093","13.545","0.003","11.373","0.003","27.757","0.006","90","","100.052","0.004","90","","4210.3","1.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Au O3 P -","- C25 H20 Au O3 P -","- C200 H160 Au8 O24 P8 -","8","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.058","0.0395","","","0.0737","0.0773","","","","","","0.964","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568094","7.1094","0.0002","8.1861","0.0003","9.3662","0.0003","92.147","0.003","94.856","0.002","90.442","0.003","542.73","0.03","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C9 H5 F N O6 Re -","- C9 H5 F N O6 Re -","- C18 H10 F2 N2 O12 Re2 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0145","0.0145","","","0.0358","0.0358","","","","","","1.201","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568095","11.9487","0.0003","6.8332","0.0002","16.0682","0.0004","90","","108.801","0.003","90","","1241.93","0.06","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N O7 Re -","- C10 H8 N O7 Re -","- C40 H32 N4 O28 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0337","0.0309","","","0.0896","0.0939","","","","","","1.124","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568096","24.2151","0.0002","10.2839","0.0001","11.5557","0.0001","90","","90.506","0.001","90","","2877.55","0.04","160","1","160","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 F6 N2 O15 Re2 -","- C20 H16 F6 N2 O15 Re2 -","- C80 H64 F24 N8 O60 Re8 -","4","0.5","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.025","0.0249","","","0.0651","0.0652","","","","","","1.164","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568097","9.3367","0.0001","11.1259","0.0001","22.22","0.0002","90","","99.672","0.001","90","","2275.39","0.04","160","1","160","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C72 H40 Cl8 N8 O48 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0136","0.0134","","","0.033","0.0336","","","","","","1.289","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568098","10.0882","0.0002","19.6105","0.0003","12.6146","0.0003","90","","112.846","0.003","90","","2299.83","0.09","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F N O6 Re -","- C9 H5 F N O6 Re -","- C72 H40 F8 N8 O48 Re8 -","8","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0264","0.0264","","","0.0628","0.0629","","","","","","1.276","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568099","8.2553","0.0001","7.1514","0.0001","19.0448","0.0002","90","","92.838","0.001","90","","1122.97","0.02","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C36 H20 Cl4 N4 O24 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0194","0.0193","","","0.0519","0.0519","","","","","","1.227","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568100","25.3206","0.0006","11.8306","0.0002","9.3609","0.0002","90","","121.786","0.003","90","","2383.57","0.12","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N O7 Re -","- C10 H8 N O7 Re -","- C80 H64 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0241","0.0237","","","0.0661","0.0668","","","","","","1.102","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568101","9.2924","0.0002","11.1464","0.0003","22.2675","0.0006","90","","100.09","0.002","90","","2270.73","0.1","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H8 N O6 Re -","- C10 H8 N O6 Re -","- C80 H64 N8 O48 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0257","0.0246","","","0.0638","0.0645","","","","","","1.089","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568102","22.7527","0.0002","10.614","0.0001","21.7337","0.0002","90","","109.916","0.001","90","","4934.72","0.08","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H18 N2 O13 Re2 -","- C20 H18 N2 O13 Re2 -","- C160 H144 N16 O104 Re16 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0183","0.0179","","","0.0429","0.0431","","","","","","1.141","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568103","24.6859","0.0003","11.4192","0.0001","9.1451","0.0002","90","","97.31","0.001","90","","2556.99","0.07","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N O7 Re -","- C10 H10 N O7 Re -","- C80 H80 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0205","0.0204","","","0.0519","0.0519","","","","","","1.216","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568104","6.7986","0.0001","18.177","0.0003","9.6514","0.0001","90","","94.971","0.001","90","","1188.22","0.03","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 N2 O8 Re -","- C9 H5 N2 O8 Re -","- C36 H20 N8 O32 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0214","0.0212","","","0.0554","0.0556","","","","","","1.225","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568105","6.3055","0.0002","9.8069","0.0002","10.5545","0.0002","102.051","0.002","100.494","0.002","105.893","0.002","593.68","0.03","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C18 H10 Cl2 N2 O12 Re2 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0187","0.0185","","","0.048","0.0482","","","","","","1.109","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568106","6.4225","0.0001","10.7862","0.0003","18.6703","0.0005","83.339","0.002","85.503","0.002","79.429","0.002","1260.68","0.05","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H5 F3 N O6 Re -","- C10 H5 F3 N O6 Re -","- C40 H20 F12 N4 O24 Re4 -","4","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0162","0.0146","","","0.0331","0.0336","","","","","","1.023","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568107","24.23071","0.00018","11.28656","0.00008","8.98742","0.00007","90","","98.0757","0.0008","90","","2433.52","0.03","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 N2 O7 Re -","- C9 H9 N2 O7 Re -","- C72 H72 N16 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0273","0.0272","","","0.0705","0.0706","","","","","","1.252","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568108","9.8967","0.0003","10.5952","0.0003","12.8653","0.0002","106.448","0.002","105.596","0.003","103.191","0.003","1176.62","0.07","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 N2 O15 Re2 -","- C18 H14 N2 O15 Re2 -","- C36 H28 N4 O30 Re4 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0234","0.0221","","","0.0562","0.0565","","","","","","1.182","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568109","6.4668","0.0001","24.4678","0.0003","8.2183","0.0001","90","","102.605","0.001","90","","1269.03","0.03","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N2 O9 Re -","- C9 H7 N2 O9 Re -","- C36 H28 N8 O36 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0297","0.029","","","0.0774","0.0777","","","","","","1.257","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568110","10.5868","0.0002","13.477","0.0003","18.0923","0.0003","82.284","0.002","87.527","0.001","68.815","0.002","2385.09","0.09","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N4 O13 Re2 -","- C18 H16 N4 O13 Re2 -","- C72 H64 N16 O52 Re8 -","4","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0157","0.015","","","0.0353","0.0355","","","","","","1.142","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568111","8.8821","0.0001","11.136","0.0002","26.399","0.0004","90","","93.457","0.001","90","","2606.4","0.07","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 N O8 Re -","- C10 H10 N O8 Re -","- C80 H80 N8 O64 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0165","0.0164","","","0.0419","0.042","","","","","","1.156","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568112","12.926","0.0001","6.8177","0.0001","15.2153","0.0002","90","","112.206","0.001","90","","1241.41","0.03","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H5 F3 N O6 Re -","- C10 H5 F3 N O6 Re -","- C40 H20 F12 N4 O24 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0173","0.0167","","","0.0436","0.044","","","","","","1.117","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568113","10.5413","0.0001","6.8478","0.0001","17.1068","0.0002","90","","103.515","0.001","90","","1200.65","0.03","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N O8 Re -","- C10 H6 N O8 Re -","- C40 H24 N4 O32 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0232","0.0232","","","0.0595","0.0595","","","","","","1.274","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568114","24.6135","0.0001","11.2159","0.0001","9.5651","0.0001","90","","94.071","0.001","90","","2633.9","0.04","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N O8 Re -","- C10 H10 N O8 Re -","- C80 H80 N8 O64 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0123","0.0123","","","0.0309","0.0309","","","","","","1.216","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568115","9.7973","0.0002","10.6398","0.0003","12.744","0.0003","78.502","0.002","68.184","0.002","73.235","0.002","1174.53","0.05","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 F2 N2 O13 Re2 -","- C19 H14 F2 N2 O13 Re2 -","- C38 H28 F4 N4 O26 Re4 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0221","0.0191","","","0.0483","0.0495","","","","","","1.068","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568116","9.1881","0.0001","11.0679","0.0001","25.0097","0.0003","90","","97.989","0.001","90","","2518.63","0.05","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 N O7 Re -","- C10 H10 N O7 Re -","- C80 H80 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0228","0.0222","","","0.0574","0.0575","","","","","","1.203","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568117","12.1358","0.0001","18.6012","0.0001","16.1266","0.0001","90","","90.297","0.001","90","","3640.38","0.04","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 N6 O25 Re3 -","- C27 H17 N6 O25 Re3 -","- C108 H68 N24 O100 Re12 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0181","0.018","","","0.0445","0.0446","","","","","","1.263","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568118","10.938","0.0003","11.4782","0.0003","12.8234","0.0003","101.726","0.002","111.1","0.003","109.637","0.003","1314.84","0.08","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N4 O15 Re2 -","- C20 H16 N4 O15 Re2 -","- C40 H32 N8 O30 Re4 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0201","0.0198","","","0.0563","0.0566","","","","","","1.135","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568119","9.0438","0.0001","11.1598","0.0002","23.9385","0.0004","90","","96.213","0.001","90","","2401.85","0.06","160","1","160","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C9 H7 F N O7 Re -","- C9 H7 F N O7 Re -","- C72 H56 F8 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.018","0.0174","","","0.0463","0.0467","","","","","","1.154","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568120","7.2397","0.0003","8.0044","0.0004","9.5362","0.0002","88.048","0.003","76.353","0.003","84.465","0.004","534.48","0.04","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 N O7 Re -","- C9 H6 N O7 Re -","- C18 H12 N2 O14 Re2 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0226","0.0218","","","0.0584","0.0589","","","","","","1.126","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568121","10.3332","0.0003","6.6448","0.0002","17.7601","0.0004","90","","102.862","0.002","90","","1188.85","0.06","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N2 O6 Re -","- C10 H5 N2 O6 Re -","- C40 H20 N8 O24 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0197","0.0197","","","0.0512","0.0512","","","","","","1.15","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568122","22.88","0.0002","9.9814","0.0001","20.3649","0.0002","90","","91.591","0.001","90","","4649.03","0.08","160","1","160","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C144 H80 Cl16 N16 O96 Re16 -","16","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0156","0.0152","","","0.0355","0.0356","","","","","","1.238","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568129","7.4324","0.0005","14.6018","0.0014","16.6369","0.0014","109.684","0.008","98.078","0.007","93.683","0.007","1671.1","0.3","113.15","","113.15","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H44 N2 -","- C44 H44 N2 -","- C88 H88 N4 -","2","1","","Kou, Yan; Li, Guangwu; Han, Yi; Li, Mengwei; Wang, Tingting; Qu, Zhiyu; Chen, Yulan","Angularly fused diaza-dinaphthopyrenes: regio-selective synthesis, crystal structures and isomer-dependent mechanochromic fluorescent properties.","Chemical science","2023","14","3","668","674","10.1039/d2sc05608a","","x-ray","0.71073","MoKα","","0.1649","0.0887","","","0.2223","0.2772","","","","","","1.027","","","","has coordinates","281400","2023-03-04","18:06:06",""
"1568130","5.438","0.0001","17.7484","0.0005","19.3921","0.0006","90","","91.455","0.002","90","","1871.04","0.09","159.99","0.1","159.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N -","- C22 H22 N -","- C88 H88 N4 -","4","1","","Kou, Yan; Li, Guangwu; Han, Yi; Li, Mengwei; Wang, Tingting; Qu, Zhiyu; Chen, Yulan","Angularly fused diaza-dinaphthopyrenes: regio-selective synthesis, crystal structures and isomer-dependent mechanochromic fluorescent properties.","Chemical science","2023","14","3","668","674","10.1039/d2sc05608a","","x-ray","1.54184","CuKα","","0.0936","0.0814","","","0.2371","0.2466","","","","","","1.062","","","","has coordinates","281400","2023-03-04","18:06:06",""
"1568131","8.2861","0.0015","5.4731","0.001","20.821","0.004","90","","93.606","0.005","90","","942.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(4-cyanophenyl)-N-hydroxymethanesulfonamide","","- C8 H8 N2 O3 S -","- C8 H8 N2 O3 S -","- C32 H32 N8 O12 S4 -","4","1","","Lasso, Juan D.; Castillo-Pazos, Durbis J; Sim, Malcolm; Barroso-Flores, Joaquín; Li, Chao-Jun","EDA mediated S-N bond coupling of nitroarenes and sodium sulfinate salts.","Chemical science","2023","14","3","525","532","10.1039/d2sc06087f","","","1.54178","CuKα","","0.0342","0.0338","","","0.092","0.0925","","","","","","1.088","","","","has coordinates","283192","2023-05-05","01:14:18",""
"1568133","14.8239","0.0006","21.1789","0.0006","17.2427","0.0008","90","","107.318","0.005","90","","5168","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","U{(μ-H)3IrCp*}4","","- C46 H74 Ir4 U -","- C46 H74 Ir4 U -","- C184 H296 Ir16 U4 -","4","0.5","","Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément","A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.","Chemical science","2023","14","4","861","868","10.1039/d2sc04903a","","x-ray","0.71073","MoKα","","0.04","0.0376","","","0.0949","0.0956","","","","","","1.389","","","","has coordinates,has disorder","283156","2023-05-05","00:59:58",""
"1568134","13.6424","0.0017","19.07","0.002","17.52","0.002","90","","102.339","0.006","90","","4452.7","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Th{[(μ-H2)(H)IrCp*]2[(μ-H)3IrCp*]2}","","- C40 H60 Ir4 Th -","- C40 H60 Ir4 Th -","- C160 H240 Ir16 Th4 -","4","1","","Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément","A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.","Chemical science","2023","14","4","861","868","10.1039/d2sc04903a","","","0.7288","synchrotron","","0.1052","0.0625","","","0.143","0.175","","","","","","1.037","","","","has coordinates","283156","2023-05-05","00:59:58",""
"1568135","12.0833","0.0002","15.2848","0.0002","18.5723","0.0003","93.815","0.001","98.607","0.001","93.365","0.001","3375.78","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","{U[(μ2-H3)IrCp*]2[(μ3-H2)IrCp*]}2","","- C60 H90 Ir6 U2 -","- C60 H90 Ir6 U2 -","- C120 H180 Ir12 U4 -","2","1","","Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément","A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.","Chemical science","2023","14","4","861","868","10.1039/d2sc04903a","","x-ray","0.71073","MoKα","","0.0297","0.0243","","","0.0579","0.0596","","","","","","1.015","","","","has coordinates","283156","2023-05-05","00:59:58",""
"1568164","9.1046","0.0007","7.8073","0.0006","15.404","0.0011","90","","101.618","0.007","90","","1072.52","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H48 S2 Si2 -","- C48 H48 S2 Si2 -","- C48 H48 S2 Si2 -","1","0.5","","Ling, Fang-Ying; Ye, Fei; Fang, Xiao-Jun; Zhou, Xiao-Hua; Huang, Wei-Sheng; Xu, Zheng; Xu, Li-Wen","An unusual autocatalysis with an air-stable Pd complex to promote enantioselective synthesis of Si-stereogenic enynes.","Chemical science","2023","14","5","1123","1131","10.1039/d2sc06181c","","","1.54184","CuKα","","0.0483","0.0412","","","0.1002","0.1058","","","","","","0.995","","","","has coordinates","281351","2023-03-04","17:50:34",""
"1568165","22.1273","0.0009","22.1273","0.0009","62.674","0.004","90","","90","","120","","26575","2","100","","100","","","","","","","","","6","R 3 :H","R 3","146","","","","- C256 H432 Fe4 N28 O186 S12 -","- C192 H174 Fe4 N24 O90 S12 -","- C576 H522 Fe12 N72 O270 S36 -","3","0.333333","","Schwab, Jake H.; Bailey, Jake B.; Gembicky, Milan; Stauber, Julia M.","Programmable synthesis of well-defined, glycosylated iron(ii) supramolecular assemblies with multivalent protein-binding capabilities.","Chemical science","2023","14","4","1018","1026","10.1039/d2sc05689e","","x-ray","0.71073","MoKα","K-L~3~","0.1235","0.0858","","","0.2421","0.2881","","","","","","1.036","","","","has coordinates,has disorder","281360","2023-03-04","17:52:56",""
"1568166","17.659","0.0002","8.3859","0.0001","17.8047","0.0002","90","","92.68","0.001","90","","2633.75","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H28 O6 -","- C33.5 H28 O6 -","- C134 H112 O24 -","4","1","","Vieira de Castro, Tomás; Huang, David M.; Sumby, Christopher J.; Lawrence, Andrew L.; George, Jonathan H.","A bioinspired, one-step total synthesis of peshawaraquinone.","Chemical science","2023","14","4","950","954","10.1039/d2sc05377b","","x-ray","1.54184","CuKα","","0.0626","0.0572","","","0.149","0.1535","","","","","","1.008","","","","has coordinates,has disorder","283157","2023-05-05","01:00:18",""
"1568175","8.1805","0.0003","16.2254","0.0005","25.9415","0.001","90","","90.036","0.002","90","","3443.3","0.2","170","2","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 F N O2 S -","- C46 H34 F N O2 S -","- C184 H136 F4 N4 O8 S4 -","4","1","","Zhao, Chenyue; Ding, Zhipeng; Zhang, Yibin; Ni, Zhigang; Li, Shijun; Gong, Shaolong; Zou, Bo; Wang, Kai; Yu, Ling","Thermally activated delayed fluorescence with dual-emission and pressure-induced bidirectional shifting: cooperative effects of intramolecular and intermolecular energy transfer.","Chemical science","2023","14","5","1089","1096","10.1039/d2sc05792a","","","0.71073","MoKα","","0.0483","0.0388","","","0.0968","0.1033","","","","","","1.026","","","","has coordinates","281354","2023-03-04","17:51:26",""
"1568176","11.6223","0.0004","22.3952","0.0008","13.154","0.0004","90","","101.844","0.001","90","","3350.9","0.2","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H28 F N O3 S -","- C43 H28 F N O3 S -","- C172 H112 F4 N4 O12 S4 -","4","1","","Zhao, Chenyue; Ding, Zhipeng; Zhang, Yibin; Ni, Zhigang; Li, Shijun; Gong, Shaolong; Zou, Bo; Wang, Kai; Yu, Ling","Thermally activated delayed fluorescence with dual-emission and pressure-induced bidirectional shifting: cooperative effects of intramolecular and intermolecular energy transfer.","Chemical science","2023","14","5","1089","1096","10.1039/d2sc05792a","","","0.71073","MoKα","","0.0646","0.0464","","","0.1226","0.1356","","","","","","1.017","","","","has coordinates","281354","2023-03-04","17:51:26",""
"1568177","5.3077","0.0002","10.641","0.0003","14.3047","0.0004","90","","97.421","0.003","90","","801.15","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-diethyl-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione","","- C18 H16 N2 O2 S2 -","- C18 H16 N2 O2 S2 -","- C36 H32 N4 O4 S4 -","2","0.5","","Samanta, Ranita; Das, Susobhan; Mondal, Saikat; Alkhidir, Tamador; Mohamed, Sharmarke; Senanayak, Satyaprasad P.; Reddy, C. Malla","Elastic organic semiconducting single crystals for durable all-flexible field-effect transistors: insights into the bending mechanism.","Chemical science","2023","14","6","1363","1371","10.1039/d2sc05217b","","x-ray","1.54184","CuKα","","0.0532","0.051","","","0.1471","0.1487","","","","","","1.081","","","","has coordinates","281374","2023-03-04","17:56:59",""
"1568181","9.5043","0.0006","10.1028","0.0007","11.4194","0.0008","84.951","0.005","81.475","0.005","62.613","0.005","962.59","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H54 B4 Na2 O8 -","- C32 H54 B4 Na2 O8 -","- C32 H54 B4 Na2 O8 -","1","0.5","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.0667","0.0595","","","0.1464","0.153","","","","","","1.05","","","","has coordinates","281359","2023-03-04","17:52:44",""
"1568182","9.6203","0.0008","16.4732","0.001","18.2301","0.0013","90","","90.025","0.006","90","","2889.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B3 Na O4 -","- C28 H42 B3 Na O4 -","- C112 H168 B12 Na4 O16 -","4","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1373","0.0994","","","0.2288","0.2655","","","","","","1.129","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568183","13.1281","0.0009","16.9849","0.0016","18.645","0.001","90","","90","","90","","4157.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H68 B2 Li2 O6 -","- C40 H68 B2 Li2 O6 -","- C160 H272 B8 Li8 O24 -","4","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1151","0.0711","","","0.1496","0.1694","","","","","","1.053","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568184","18.6111","0.0006","16.4244","0.0004","30.4468","0.0009","90","","101.989","0.002","90","","9103.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Li2 N2 O2 -","- C30 H48 Li2 N2 O2 -","- C360 H576 Li24 N24 O24 -","12","3","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1004","0.0742","","","0.1949","0.2124","","","","","","1.055","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568185","10.2466","0.0004","14.7968","0.0006","15.6728","0.0006","108.371","0.003","95.677","0.003","90.32","0.003","2242.4","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H136 B4 N4 Na4 O16 -","- C82 H136 B4 N4 Na4 O16 -","- C82 H136 B4 N4 Na4 O16 -","1","0.5","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.0647","0.0571","","","0.1515","0.157","","","","","","1.071","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568186","12.6287","0.0012","21.7373","0.0013","17.0233","0.0015","90","","110.611","0.007","90","","4374","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H69 B2 Li N2 O9 -","- C41 H69 B2 Li N2 O9 -","- C164 H276 B8 Li4 N8 O36 -","4","0.5","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1104","0.0639","","","0.1386","0.1657","","","","","","1.05","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568187","29.1123","0.0006","15.8326","0.0003","43.5324","0.001","90","","102.002","0.002","90","","19626.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B3 Li O4 -","- C28 H42 B3 Li O4 -","- C784 H1176 B84 Li28 O112 -","28","7","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1499","0.0801","","","0.2172","0.2751","","","","","","1.032","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568188","8.5527","0.0005","12.4941","0.0007","16.5866","0.0011","75.533","0.005","75.852","0.005","84.925","0.005","1663.45","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H50 B2 Li O8 -","- C33 H50 B2 Li O8 -","- C66 H100 B4 Li2 O16 -","2","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.103","0.0642","","","0.1187","0.1379","","","","","","1.197","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568189","10.9511","0.001","24.516","0.003","15.2282","0.0015","90","","95.506","0.008","90","","4069.6","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 B2 Li N O8 -","- C43 H58 B2 Li N O8 -","- C172 H232 B8 Li4 N4 O32 -","4","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1892","0.1106","","","0.2115","0.2467","","","","","","1.117","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568196","26.4405","0.0004","30.63","0.0006","31.6049","0.0006","62.291","0.002","74.7925","0.0016","70.3241","0.0017","21165.1","0.8","100","0.11","100","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C336 H270 Ag46 Cl6 Cr2 N6 O32 S36 -","- C336 H270 Ag45.9999 Cl6 Cr2 N6 O32 S36 -","- C672 H540 Ag91.9998 Cl12 Cr4 N12 O64 S72 -","2","1","","Gupta, Rakesh Kumar; Li, Li; Wang, Zhi; Han, Bao-Liang; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Regulating the assembly and expansion of the silver cluster from the Ag37 to Ag46 nanowheel driven by heteroanions.","Chemical science","2023","14","5","1138","1144","10.1039/d2sc06436g","","x-ray","1.54184","CuKα","","0.134","0.0846","","","0.2504","0.2966","","","","","","1.067","","","","has coordinates,has disorder","281349","2023-03-04","17:50:09",""
"1568197","17.8704","0.0004","38.6083","0.0006","47.7137","0.0005","90","","94.915","0.001","90","","32798.8","1","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C288 H248 Ag37 Cl11 N6 Na O24 S30 -","- C288 H248 Ag37 Cl11 N6 Na O24 S30 -","- C1152 H992 Ag148 Cl44 N24 Na4 O96 S120 -","4","1","","Gupta, Rakesh Kumar; Li, Li; Wang, Zhi; Han, Bao-Liang; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Regulating the assembly and expansion of the silver cluster from the Ag37 to Ag46 nanowheel driven by heteroanions.","Chemical science","2023","14","5","1138","1144","10.1039/d2sc06436g","","x-ray","1.54184","CuKα","","0.1717","0.1265","","","0.3384","0.3781","","","","","","1.271","","","","has coordinates,has disorder","281349","2023-03-04","17:50:09",""
"1568198","10.8295","0.0004","14.3466","0.0005","16.2889","0.0007","98.991","0.003","110.11","0.004","97.83","0.004","2297.5","0.17","195","","195","","","","","","","","","7","P -1","-P 1","2","{[Ru2(2356F4PhCO2)4]2[TCNQ]}(CoCp2)4CO2","","","- C92 H42 Co F32 N4 O24 Ru4 -","- C92 H42 Co F32 N4 O24 Ru4 -","- C92 H42 Co F32 N4 O24 Ru4 -","1","0.5","","Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.","Chemical science","2023","14","4","791","800","10.1039/d2sc06337a","powder diffraction","","0.79969","synchrotron","","0.00994","","","","","","0.00995","0.04107","4.8033","","","","","","","has coordinates","281358","2023-03-04","17:52:16",""
"1568199","10.3561","0.0006","14.2275","0.0007","16.1588","0.001","96.889","0.004","109.083","0.006","99.555","0.005","2179.7","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","{[Ru2(2356F4PhCO2)4]2[TCNQ]}(CoCp2)2O2","","","- C88 H42 Co F32 N4 O20 Ru4 -","- C88 H42 Co F32 N4 O20 Ru4 -","- C88 H42 Co F32 N4 O20 Ru4 -","1","0.5","","Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.","Chemical science","2023","14","4","791","800","10.1039/d2sc06337a","powder diffraction","","0.79969","synchrotron","","0.00317","","","","","","0.00316","0.01916","3.6133","","","","","","","has coordinates","281358","2023-03-04","17:52:16",""
"1568200","10.3569","0.0005","14.221","0.0003","16.1573","0.0009","96.891","0.003","109.135","0.005","99.504","0.005","2178.34","0.19","120","","120","","","","","","","","","7","P -1","-P 1","2","{[Ru2(2356F4PhCO2)4]2[TCNQ]}(CoCp2)N2","","","- C88 H42 Co F32 N6 O16 Ru4 -","- C88 H42 Co F32 N6 O16 Ru4 -","- C88 H42 Co F32 N6 O16 Ru4 -","1","0.5","","Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.","Chemical science","2023","14","4","791","800","10.1039/d2sc06337a","powder diffraction","","0.79969","synchrotron","","0.00428","","","","","","0.00429","0.02258","3.4332","","","","","","","has coordinates","281358","2023-03-04","17:52:16",""
"1568201","12.4765","0.0003","13.7256","0.0003","15.0782","0.0003","71.979","0.002","88.7149","0.0018","78.9608","0.0019","2408.12","0.1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H108 Br2 Cl18 N8 Na2 O12 -","- C60 H108 Br2 Cl18 N8 Na2 O12 -","- C60 H108 Br2 Cl18 N8 Na2 O12 -","1","0.5","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.5418","CuKα","","0.0529","0.0474","","0.1363","0.1308","0.1363","","","","","","0.9928","","","","has coordinates,has disorder","283154","2023-05-05","00:57:48",""
"1568202","25.8831","0.001","5.6524","0.0004","43.78","0.002","90","","94.085","0.004","90","","6388.8","0.6","150","","150","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C29 H52 N4 O6 -","- C29 H52 N4 O6 -","- C232 H416 N32 O48 -","8","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0867","0.0553","","0.1556","0.1266","0.1556","","","","","","0.9888","","","","has coordinates,has disorder","283154","2023-05-05","00:57:59",""
"1568203","12.6782","0.0002","13.2543","0.0002","17.7146","0.0003","94.8655","0.0015","102.8","0.0015","108.058","0.0016","2721.73","0.08","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H58 F2 K N8 O16 Yb2 -","- C31 H58 F2 K N8 O16 Yb2 -","- C62 H116 F4 K2 N16 O32 Yb4 -","2","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0565","0.0548","","0.1598","0.1571","0.1598","","","","","","1.0117","","","","has coordinates","283154","2023-05-05","00:58:08",""
"1568204","28.4973","0.0007","15.9022","0.0003","39.7702","0.0008","90","","103.219","0.002","90","","17545.1","0.7","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C186 H316 N48 O84 Yb12 -","- C186 H316 N48 O84 Yb12 -","- C372 H632 N96 O168 Yb24 -","2","0.5","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.5418","CuKα","","0.0851","0.0701","","0.2144","0.1987","0.2144","","","","","","1.0303","","","","has coordinates,has disorder","283154","2023-05-05","00:58:12",""
"1568205","10.8216","0.0002","18.3994","0.0003","11.1809","0.0002","90","","106.757","0.002","90","","2131.7","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 N4 O9 Yb -","- C17 H31 N4 O9 Yb -","- C68 H124 N16 O36 Yb4 -","4","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0258","0.0251","","0.0653","0.0648","0.0653","","","","","","1.0237","","","","has coordinates,has disorder","283154","2023-05-05","00:58:23",""
"1568206","28.5577","0.0005","15.9841","0.0002","39.9615","0.0006","90","","103.346","0.0016","90","","17748.6","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C186 H324 Eu12 N48 O84 -","- C186 H324 Eu12 N48 O84 -","- C372 H648 Eu24 N96 O168 -","2","0.5","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.5418","CuKα","","0.1305","0.1126","","0.3036","0.2713","0.3036","","","","","","1.0191","","","","has coordinates","283154","2023-05-05","00:58:32",""
"1568207","10.7991","0.0001","18.3916","0.0002","11.2076","0.0001","90","","106.553","0.0013","90","","2133.72","0.04","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Eu N4 O9 -","- C17 H31 Eu N4 O9 -","- C68 H124 Eu4 N16 O36 -","4","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0738","0.0734","","0.2017","0.1999","0.2017","","","","","","1.035","","","","has coordinates,has disorder","283154","2023-05-05","00:58:35",""
"1568208","18.67067","0.00017","18.94109","0.00018","18.90816","0.00017","90","","94.3084","0.0008","90","","6667.84","0.11","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H53 Fe N3 Si4 -","- C24 H53 Fe N3 Si4 -","- C192 H424 Fe8 N24 Si32 -","8","2","","Stroek, Wowa; Albrecht, Martin","Discovery of a simple iron catalyst reveals the intimate steps of C-H amination to form C-N bonds.","Chemical science","2023","14","11","2849","2859","10.1039/d2sc04170g","","x-ray","1.54184","CuKα","","0.0572","0.0509","","","0.1462","0.1523","","","","","","1.076","","","","has coordinates,has disorder","282297","2023-04-04","10:02:00",""
"1568209","11.5091","0.0007","16.0047","0.0012","16.969","0.0011","78.893","0.003","83.202","0.002","80.19","0.003","3010.4","0.4","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C30 H30 F76 Fe Hg10 Mo N10 O4 S2 Sb10 -","- C30 H30 F76 Fe Hg10 Mo N10 O4 S2 Sb10 -","- C30 H30 F76 Fe Hg10 Mo N10 O4 S2 Sb10 -","1","0.5","","Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz","A decacationic ferrocene-based metallostar.","Chemical science","2023","14","5","1132","1137","10.1039/d2sc06151a","","","0.71073","MoKα","","0.0336","0.03","","","0.068","0.0697","","","","","","0.949","","","","has coordinates,has disorder","281353","2023-03-04","17:51:14",""
"1568210","18.7149","0.0008","36.9102","0.0016","32.7166","0.0014","90","","94.377","0.002","90","","22533.8","1.7","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C98 H150 F60 Fe Hg10 N24 S10 Sb10 -","- C90 H138 F48 Fe Hg10 N20 S10 Sb8 -","- C360 H552 F192 Fe4 Hg40 N80 S40 Sb32 -","4","0.5","","Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz","A decacationic ferrocene-based metallostar.","Chemical science","2023","14","5","1132","1137","10.1039/d2sc06151a","","","0.71073","MoKα","","0.0426","0.0384","","","0.1055","0.1095","","","","","","1.04","","","","has coordinates,has disorder","281353","2023-03-04","17:51:14",""
"1568211","16.8907","0.0004","40.5278","0.001","23.013","0.0005","90","","109.001","0.001","90","","14895","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100 H100 F30 Fe Hg10 N20 O20 -","- C98 H100 F27 Fe Hg10 N20 O18 -","- C392 H400 F108 Fe4 Hg40 N80 O72 -","4","1","","Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz","A decacationic ferrocene-based metallostar.","Chemical science","2023","14","5","1132","1137","10.1039/d2sc06151a","","","1.54178","CuKα","","0.0569","0.0519","","","0.1388","0.1439","","","","","","1.052","","","","has coordinates,has disorder","281353","2023-03-04","17:51:14",""
"1568212","13.8929","0.0003","15.2075","0.0003","18.0219","0.0004","93.513","0.002","96.836","0.002","101.444","0.002","3691.25","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H69 Br Cl3 Os P3 -","- C86 H69 Br2 Cl2 Os P3 -","- C172 H138 Br4 Cl4 Os2 P6 -","2","1","","Lin, Zuzhang; Cai, Yapeng; Zhang, Yaowei; Zhang, Hong; Xia, Haiping","Heterocyclic Suzuki-Miyaura coupling reaction of metalla-aromatics and mechanistic analysis of site selectivity.","Chemical science","2023","14","5","1227","1233","10.1039/d2sc05455h","","","1.54184","CuKα","","0.0654","0.0547","","","0.154","0.1629","","","","","","1.064","","","","has coordinates","281357","2023-03-04","17:52:06",""
"1568213","37.0917","0.0004","10.9818","0.0001","43.2112","0.0005","90","","106.08","0.001","90","","16912.7","0.3","99.99","0.1","99.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H77 Br2 Cl2 N Os P3 -","- C98 H77 Br2 Cl2 N Os P3 -","- C784 H616 Br16 Cl16 N8 Os8 P24 -","8","1","","Lin, Zuzhang; Cai, Yapeng; Zhang, Yaowei; Zhang, Hong; Xia, Haiping","Heterocyclic Suzuki-Miyaura coupling reaction of metalla-aromatics and mechanistic analysis of site selectivity.","Chemical science","2023","14","5","1227","1233","10.1039/d2sc05455h","","x-ray","1.54184","CuKα","","0.052","0.0495","","","0.1288","0.1305","","","","","","1.063","","","","has coordinates,has disorder","281357","2023-03-04","17:52:06",""
"1568214","13.9414","0.0011","20.932","0.0017","28.7875","0.0018","90","","95.848","0.003","90","","8357.1","1.1","180","2","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C97 H106 B2 N0 O10 -","- C96.996 H107.988 B2 O10 -","- C387.984 H431.952 B8 O40 -","4","1","","Chen, Jin-Fa; Gao, Qing-Xiu; Liu, Lijie; Chen, Pangkuan; Wei, Tai-Bao","A pillar[5]arene-based planar chiral charge-transfer dye with enhanced circularly polarized luminescence and multiple responsive chiroptical changes.","Chemical science","2023","14","4","987","993","10.1039/d2sc06000k","","","0.71073","MoKα","","0.1392","0.0657","","","0.1698","0.1958","","","","","","0.99","","","","has coordinates,has disorder","281361","2023-03-04","17:53:36",""
"1568215","13.3693","0.0008","16.483","0.001","16.996","0.0011","98.522","0.004","110.283","0.004","111.654","0.004","3097.1","0.4","130","0.5","130","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C78 H80 Cl2 N2 O -","- C78 H80 Cl2 N2 O -","- C156 H160 Cl4 N4 O2 -","2","1","","Krzeszewski, Maciej; Dobrzycki, Łukasz; Sobolewski, Andrzej L.; Cyrański, Michał K.; Gryko, Daniel T.","Saddle-shaped aza-nanographene with multiple odd-membered rings","Chemical Science","2023","14","9","2353","2360","10.1039/D2SC05858H","","","1.54178","CuKα","","0.0846","0.0706","","","0.1769","0.1859","","","","","","1.082","","","","has coordinates,has disorder","281390","2023-03-04","18:02:15",""
"1568218","7.975","0.0006","16.4265","0.001","13.4165","0.0007","90","","103.052","0.006","90","","1712.17","0.19","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N3 O2 Pd -","- C19 H19 N3 O2 Pd -","- C76 H76 N12 O8 Pd4 -","4","1","","Shukla, Rahul K.; Nair, Akshay M.; Volla, Chandra M. R.","Pd(ii)-catalyzed β- and γ-C-(sp3)-H dienylation with allenyl acetates.","Chemical science","2023","14","4","955","962","10.1039/d2sc05188e","","x-ray","1.54184","CuKα","","0.1102","0.0787","","","0.1951","0.2328","","","","","","1.083","","","","has coordinates","281362","2023-03-04","17:53:46",""
"1568219","17.933","0.004","5.7655","0.0013","20.387","0.004","90","","93.694","0.019","90","","2103.5","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C108 H88 N8 O4 -","4","1","","Shukla, Rahul K.; Nair, Akshay M.; Volla, Chandra M. R.","Pd(ii)-catalyzed β- and γ-C-(sp3)-H dienylation with allenyl acetates.","Chemical science","2023","14","4","955","962","10.1039/d2sc05188e","","x-ray","0.71073","MoKα","","0.2383","0.1125","","","0.2548","0.3469","","","","","","1.016","","","","has coordinates","281362","2023-03-04","17:53:46",""
"1568220","18.5183","0.0003","9.4082","0.0001","20.3888","0.0002","90","","102.717","0.002","90","","3465.08","0.08","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C H N O Pd -","- C3.26531 H3.10204 N0.489796 O0.163265 Pd0.163265 -","- C160 H152 N24 O8 Pd8 -","49","12.25","","Shukla, Rahul K.; Nair, Akshay M.; Volla, Chandra M. R.","Pd(ii)-catalyzed β- and γ-C-(sp3)-H dienylation with allenyl acetates.","Chemical science","2023","14","4","955","962","10.1039/d2sc05188e","","x-ray","1.54184","CuKα","","0.0868","0.0843","","","0.2167","0.2221","","","","","","1.043","","","","has coordinates","281362","2023-03-04","17:53:46",""
"1568221","5.189","0.005","7.915","0.004","10.643","0.003","80.745","0.013","82.34","0.04","88.94","0.05","427.6","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","1","1","","De, Soumi; Asthana, Deepak; Thirmal, Chinthakuntla; Keshri, Sudhir K.; Ghosh, Ram Krishna; Hundal, Geeta; Kumar, Raju; Singh, Satyendra; Chatterjee, Ratnamala; Mukhopadhyay, Pritam","A folded π-system with supramolecularly oriented dipoles: single-component piezoelectric relaxor with NLO activity.","Chemical science","2023","14","10","2547","2552","10.1039/d2sc06141d","","","0.71073","MoKα","","0.1421","0.0815","","","0.2062","0.2349","","","","","","1.017","","","","has coordinates","282281","2023-04-04","09:54:10",""
"1568224","15.5542","0.0007","5.6674","0.0002","18.576","0.0008","90","","106.95","0.001","90","","1566.38","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F4 S2 -","- C18 H10 F4 S2 -","- C72 H40 F16 S8 -","4","1","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","0.71073","GaKα","","0.036","0.0325","","","0.1226","0.132","","","","","","1.124","","","","has coordinates","283158","2023-05-05","01:00:53",""
"1568225","4.812","0.0002","20.6876","0.001","11.0963","0.0006","90","","96.357","0.002","90","","1097.83","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F4 O4 S2 -","- C24 H18 F4 O4 S2 -","- C48 H36 F8 O8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0376","0.0331","","","0.0826","0.0861","","","","","","1.06","","","","has coordinates","283158","2023-05-05","01:01:03",""
"1568226","4.8071","0.0003","20.699","0.0014","11.0964","0.0007","90","","96.329","0.002","90","","1097.39","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F4 O4 S2 -","- C24 H18 F4 O4 S2 -","- C48 H36 F8 O8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0389","0.0367","","","0.1053","0.1076","","","","","","1.064","","","","has coordinates","283158","2023-05-05","01:01:13",""
"1568227","9.6077","0.0002","10.2863","0.0002","10.6653","0.0002","68.438","0.001","76.888","0.001","65.477","0.001","888.39","0.03","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H30 S6 -","- C42 H30 S6 -","- C42 H30 S6 -","1","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0333","0.0313","","","0.0826","0.0845","","","","","","1.037","","","","has coordinates","283158","2023-05-05","01:01:17",""
"1568228","9.6203","0.0003","14.1325","0.0005","14.9666","0.0005","76.293","0.001","88.135","0.002","88.84","0.002","1975.68","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 F2 S4 -","- C30 H20 F2 S4 -","- C90 H60 F6 S12 -","3","1.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0356","0.0316","","","0.0857","0.0889","","","","","","1.044","","","","has coordinates","283158","2023-05-05","01:01:30",""
"1568229","15.1661","0.0008","4.8806","0.0003","11.4983","0.0006","90","","93.913","0.002","90","","849.12","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F4 S2 -","- C20 H14 F4 S2 -","- C40 H28 F8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0317","0.0294","","","0.0766","0.0784","","","","","","1.044","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568230","15.5305","0.0008","5.6743","0.0003","18.5471","0.0009","90","","106.918","0.002","90","","1563.72","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F4 S2 -","- C18 H10 F4 S2 -","- C72 H40 F16 S8 -","4","1","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.044","0.0396","","","0.1161","0.1262","","","","","","0.89","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568231","4.8077","0.0002","20.6905","0.0009","11.0959","0.0005","90","","96.412","0.002","90","","1096.85","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F4 O4 S2 -","- C24 H18 F4 O4 S2 -","- C48 H36 F8 O8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0401","0.0349","","","0.0863","0.0903","","","","","","1.055","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568232","21.0773","0.0006","21.0773","0.0006","7.9829","0.0003","90","","90","","120","","3071.29","0.17","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C48 H42 S6 -","- C48 H42 S6 -","- C144 H126 S18 -","3","0.166667","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0378","0.0316","","","0.0867","0.0896","","","","","","1.1","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568233","20.7715","0.0012","6.2243","0.0003","22.3727","0.0012","90","","94.032","0.003","90","","2885.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 O12 S6 -","- C60 H54 O12 S6 -","- C120 H108 O24 S12 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0703","0.0571","","","0.1562","0.1655","","","","","","1.066","","","","has coordinates,has disorder","283158","2023-05-05","01:01:34",""
"1568234","5.6192","0.0005","8.2941","0.0008","21.138","0.002","79.178","0.004","84.757","0.004","89.326","0.004","963.58","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 F2 O8 S4 -","- C42 H36 F2 O8 S4 -","- C42 H36 F2 O8 S4 -","1","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0608","0.0479","","","0.1099","0.1183","","","","","","1.055","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568235","12.4505","0.0005","14.978","0.0006","21.6769","0.0008","92.868","0.002","98.081","0.001","91.753","0.001","3994.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H42 S6 -","- C48 H42 S6 -","- C192 H168 S24 -","4","2","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.051","0.0423","","","0.1052","0.1118","","","","","","1.028","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568250","39.4123","0.0018","31.761","0.0017","41.134","0.002","90","","116.515","0.002","90","","46075","4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132.65 H133.3 Ag2 B2 Cl1.3 N12 O6 -","- C132.65 H133.3 Ag2 B2 Cl1.3 N12 O6 -","- C2122.4 H2132.8 Ag32 B32 Cl20.8 N192 O96 -","16","2","","Ayme, Jean-François; Bruchmann, Bernd; Karmazin, Lydia; Kyritsakas, Nathalie","Transient self-assembly of metal-organic complexes.","Chemical science","2023","14","5","1244","1251","10.1039/d2sc06374c","","","0.71073","MoKα","","0.0741","0.05","","","0.1206","0.1375","","","","","","1.033","","","","has coordinates,has disorder","283155","2023-05-05","00:59:34",""
"1568251","17.5943","0.0009","21.9079","0.0009","21.0813","0.001","90","","104.382","0.003","90","","7871.2","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H88 Ag2 B2 N8 O4 -","- C96 H88 Ag2 B2 N8 O4 -","- C384 H352 Ag8 B8 N32 O16 -","4","0.5","","Ayme, Jean-François; Bruchmann, Bernd; Karmazin, Lydia; Kyritsakas, Nathalie","Transient self-assembly of metal-organic complexes.","Chemical science","2023","14","5","1244","1251","10.1039/d2sc06374c","","","0.71073","MoKα","","0.0668","0.0361","","","0.0827","0.0982","","","","","","1.017","","","","has coordinates","283155","2023-05-05","00:59:37",""
"1568252","13.8231","0.0004","20.1276","0.0006","16.7673","0.0004","90","","90","","90","","4665.1","0.2","100","0.2","100","0.2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C25 H18 Cl2 N3 Zn -","- C25 H18 Cl2 N3 Zn -","- C200 H144 Cl16 N24 Zn8 -","8","0.5","","Ngue, Chin May; Ho, Kuan Fu; Sainbileg, Batjargal; Batsaikhan, Erdembayalag; Hayashi, Michitoshi; Lee, Kuei Yi; Chen, Ruei San; Leung, Man Kit","Conductivity and photoconductivity in a two-dimensional zinc bis(triarylamine) coordination polymer.","Chemical science","2023","14","5","1320","1328","10.1039/d2sc06085j","","","0.71073","MoKα","","0.0703","0.0556","","","0.1762","0.1913","","","","","","1.106","","","","has coordinates","281355","2023-03-04","17:51:35",""
"1568253","15.0449","0.0002","16.2449","0.0002","26.5593","0.0003","90","","90","","90","","6491.17","0.14","173","0.14","173","0.14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H50 N2 Zn -","- C34 H50 N2 Zn -","- C272 H400 N16 Zn8 -","8","1","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","1.54184","CuKα","","0.0414","0.0352","","","0.0941","0.1009","","","","","","1.039","","","","has coordinates","281370","2023-03-04","17:56:17",""
"1568254","10.7471","0.0007","21.2654","0.0008","13.8275","0.0007","90","","93.143","0.004","90","","3155.4","0.3","173.05","0.1","173.05","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 N2 Zn -","- C33 H48 N2 Zn -","- C132 H192 N8 Zn4 -","4","1","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","0.71073","MoKα","","0.072","0.0457","","","0.1169","0.1399","","","","","","1.091","","","","has coordinates,has disorder","281370","2023-03-04","17:56:17",""
"1568255","12.4022","0.0004","15.979","0.0004","31.6956","0.0007","83.997","0.002","83.924","0.002","68.783","0.002","5807.7","0.3","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C62 H90 N4 Zn2 -","- C62 H90 N4 Zn2 -","- C248 H360 N16 Zn8 -","4","2","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","1.54184","CuKα","","0.0567","0.0426","","","0.1101","0.1232","","","","","","1.028","","","","has coordinates,has disorder","281370","2023-03-04","17:56:17",""
"1568256","11.2164","0.0003","20.8079","0.0005","14.1171","0.0004","90","","96.264","0.002","90","","3275.12","0.15","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 N2 Zn -","- C35 H52 N2 Zn -","- C140 H208 N8 Zn4 -","4","1","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","1.54184","CuKα","","0.0964","0.0791","","","0.2064","0.2418","","","","","","1.047","","","","has coordinates,has disorder","281370","2023-03-04","17:56:17",""
"1568257","7.7662","0.0011","20.908","0.003","7.2899","0.0011","90","","90.463","0.003","90","","1183.7","0.3","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 B F2 N2 O -","- C14 H9 B F2 N2 O -","- C56 H36 B4 F8 N8 O4 -","4","1","","Gai, Lizhi; Zhang, Ruijing; Shi, Xiuguang; Ni, Zhigang; Wang, Sisi; Zhang, Jun-Long; Lu, Hua; Guo, Zijian","BOINPYs: facile synthesis and photothermal properties triggered by photoinduced nonadiabatic decay.","Chemical science","2023","14","6","1434","1442","10.1039/d2sc06435a","","","0.71073","MoKα","","0.118","0.0733","","","0.1974","0.2239","","","","","","1.023","","","","has coordinates","281372","2023-03-04","17:56:37",""
"1568258","7.763","0.003","24.877","0.01","7.273","0.003","90","","90.525","0.012","90","","1404.5","1","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 B F2 N2 O S -","- C16 H9 B F2 N2 O S -","- C64 H36 B4 F8 N8 O4 S4 -","4","1","","Gai, Lizhi; Zhang, Ruijing; Shi, Xiuguang; Ni, Zhigang; Wang, Sisi; Zhang, Jun-Long; Lu, Hua; Guo, Zijian","BOINPYs: facile synthesis and photothermal properties triggered by photoinduced nonadiabatic decay.","Chemical science","2023","14","6","1434","1442","10.1039/d2sc06435a","","","0.71073","MoKα","","0.0977","0.0807","","","0.214","0.2198","","","","","","1.125","","","","has coordinates","281372","2023-03-04","17:56:37",""
"1568259","17.675","0.003","17.675","0.003","29.023","0.005","90","","90","","90","","9067","3","302.45","","302.45","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C30 H21 B N2 O -","- C30 H21 B N2 O -","- C480 H336 B16 N32 O16 -","16","1","","Gai, Lizhi; Zhang, Ruijing; Shi, Xiuguang; Ni, Zhigang; Wang, Sisi; Zhang, Jun-Long; Lu, Hua; Guo, Zijian","BOINPYs: facile synthesis and photothermal properties triggered by photoinduced nonadiabatic decay.","Chemical science","2023","14","6","1434","1442","10.1039/d2sc06435a","","","0.71073","MoKα","","0.1405","0.0643","","","0.1667","0.2155","","","","","","1.018","","","","has coordinates","281372","2023-03-04","17:56:37",""
"1568263","10.6143","0.0003","31.7341","0.0006","5.4746","0.0001","90","","96.25","0.002","90","","1833.08","0.07","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Zhao, Hongping; Yuan, Weiming","Three-component reductive conjugate addition/aldol tandem reaction enabled by nickel/photoredox dual catalysis.","Chemical science","2023","14","6","1485","1490","10.1039/d2sc06303d","","x-ray","1.54184","CuKα","","0.0687","0.0614","","","0.1567","0.1623","","","","","","1.061","","","","has coordinates","281376","2023-03-04","17:57:18",""
"1568264","9.5665","0.0003","10.3386","0.0002","12.4055","0.0003","93.312","0.002","101.472","0.002","98.72","0.002","1183.64","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 N O2 -","- C29 H33 N O2 -","- C58 H66 N2 O4 -","2","1","","Zhao, Hongping; Yuan, Weiming","Three-component reductive conjugate addition/aldol tandem reaction enabled by nickel/photoredox dual catalysis.","Chemical science","2023","14","6","1485","1490","10.1039/d2sc06303d","","x-ray","1.54184","CuKα","","0.0375","0.0367","","","0.0938","0.0944","","","","","","1.048","","","","has coordinates","281376","2023-03-04","17:57:18",""
"1568265","8.0904","0.0003","12.0393","0.0003","12.8065","0.0003","79.36","0.002","75.595","0.002","79.481","0.002","1175.11","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 N O2 -","- C29 H33 N O2 -","- C58 H66 N2 O4 -","2","1","","Zhao, Hongping; Yuan, Weiming","Three-component reductive conjugate addition/aldol tandem reaction enabled by nickel/photoredox dual catalysis.","Chemical science","2023","14","6","1485","1490","10.1039/d2sc06303d","","x-ray","1.54184","CuKα","","0.0352","0.0345","","","0.0893","0.0897","","","","","","1.04","","","","has coordinates","281376","2023-03-04","17:57:18",""
"1568266","9.7199","0.0003","17.3733","0.0006","8.5275","0.0003","90","","106.832","0.001","90","","1378.32","0.08","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution via Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","0.71073","MoKα","","0.0564","0.0402","","","0.0881","0.1102","","","","","","1.087","","","","has coordinates","281379","2023-03-04","17:59:37",""
"1568267","8.7024","0.0003","13.0704","0.0005","18.7294","0.0007","90","","90","","90","","2130.35","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 F O3 -","- C26 H23 F O3 -","- C104 H92 F4 O12 -","4","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution via Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","1.54178","CuKα","","0.0281","0.0273","","","0.0668","0.0674","","","","","","1.074","","","","has coordinates","281379","2023-03-04","17:59:37",""
"1568268","9.9702","0.0001","9.9702","0.0001","48.7176","0.0012","90","","90","","90","","4842.77","0.14","173","2","173","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C29 H30 O5 -","- C29 H30 O5 -","- C232 H240 O40 -","8","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution via Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","1.54178","CuKα","","0.0279","0.0274","","","0.07","0.0704","","","","","","1.064","","","","has coordinates,has disorder","281379","2023-03-04","17:59:37",""
"1568269","11.4334","0.0007","13.0191","0.0008","41.707","0.003","90","","90","","90","","6208.2","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H92 Cl2 Co N4 O15 -","- C57 H92 Cl2 Co N4 O15 -","- C228 H368 Cl8 Co4 N16 O60 -","4","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution via Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","0.71073","MoKα","","0.0463","0.04","","","0.1012","0.1059","","","","","","1.05","","","","has coordinates,has disorder","281379","2023-03-04","17:59:37",""
"1568270","15.9159","0.0003","21.273","0.0004","18.676","0.0003","90","","107.116","0.001","90","","6043.25","0.19","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 N4 O8 -","- C60 H68 N4 O8 -","- C240 H272 N16 O32 -","4","1","","Lee, Areum; Yang, Ju Ho; Oh, Ju Hyun; Hay, Benjamin P.; Lee, Kyounghoon; Lynch, Vincent M.; Sessler, Jonathan L.; Kim, Sung Kuk","Cyclo[2]carbazole[2]pyrrole: a preorganized calix[4]pyrrole analogue.","Chemical science","2023","14","5","1218","1226","10.1039/d2sc06376j","","","0.71073","MoKα","","0.0894","0.0631","","","0.1663","0.1846","","","","","","1.042","","","","has coordinates,has disorder","281356","2023-03-04","17:51:48",""
"1568271","17.4296","0.0003","29.0372","0.0005","18.0368","0.0002","90","","91.2569","0.0012","90","","9126.4","0.2","100","0.6","100","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H148 N6 O9 -","- C96 H148 N6 O9 -","- C384 H592 N24 O36 -","4","1","","Lee, Areum; Yang, Ju Ho; Oh, Ju Hyun; Hay, Benjamin P.; Lee, Kyounghoon; Lynch, Vincent M.; Sessler, Jonathan L.; Kim, Sung Kuk","Cyclo[2]carbazole[2]pyrrole: a preorganized calix[4]pyrrole analogue.","Chemical science","2023","14","5","1218","1226","10.1039/d2sc06376j","","x-ray","1.54184","CuKα","","0.0496","0.0422","","","0.1081","0.1121","","","","","","1.035","","","","has coordinates,has disorder","281356","2023-03-04","17:51:48",""
"1568272","8.6562","0.0007","23.5435","0.0018","11.2698","0.0009","90","","97.609","0.004","90","","2276.5","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2S,3R)-2-methyl-3-(1-methyl-1H-indol-5-yl)-2-phenylcyclopropyl 3,5-dibromobenzoate","","- C26 H21 Br2 N O2 -","- C26 H21 Br2 N O2 -","- C104 H84 Br8 N4 O8 -","4","2","","Teresa, Javier; Velado, Marina; Fernández de la Pradilla, Roberto; Viso, Alma; Lozano, Blanca; Tortosa, Mariola","Enantioselective Suzuki cross-coupling of 1,2-diboryl cyclopropanes.","Chemical science","2023","14","6","1575","1581","10.1039/d2sc05789a","","","0.71073","MoKα","","0.0497","0.0319","","","0.0627","0.0698","","","","","","1.006","","","","has coordinates","283162","2023-05-05","01:04:03",""
"1568273","9.0911","0.0008","15.1646","0.001","10.8715","0.0008","90","","90.782","0.006","90","","1498.6","0.2","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","SQ1a","","- C32 H42 O4 -","- C32 H42 O4 -","- C64 H84 O8 -","2","0.5","","Maeda, Takeshi; Oka, Taishi; Sakamaki, Daisuke; Fujiwara, Hideki; Suzuki, Naoya; Yagi, Shigeyuki; Konishi, Tatsuki; Kamada, Kenji","Unveiling a new aspect of oxocarbons: open-shell character of 4- and 5-membered oxocarbon derivatives showing near-infrared absorption.","Chemical science","2023","14","8","1978","1985","10.1039/d2sc06612b","","","0.71075","MoKα","","","0.0466","","","","0.0548","","","","","","1.13","","","","has coordinates","281343","2023-03-04","17:47:32",""
"1568274","10.8829","0.001","11.8981","0.0011","14.5843","0.0012","100.894","0.007","93.914","0.007","104.037","0.007","1786.1","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","CR1b","","- C34 H43 Cl3 O3 S2 -","- C34 H43 Cl3 O3 S2 -","- C68 H86 Cl6 O6 S4 -","2","1","","Maeda, Takeshi; Oka, Taishi; Sakamaki, Daisuke; Fujiwara, Hideki; Suzuki, Naoya; Yagi, Shigeyuki; Konishi, Tatsuki; Kamada, Kenji","Unveiling a new aspect of oxocarbons: open-shell character of 4- and 5-membered oxocarbon derivatives showing near-infrared absorption.","Chemical science","2023","14","8","1978","1985","10.1039/d2sc06612b","","","0.71075","MoKα","","","0.0897","","","","0.0926","","","","","","1.151","","","","has coordinates","281343","2023-03-04","17:47:32",""
"1568275","13.5881","0.0012","14.1008","0.001","14.4563","0.0012","89.576","0.006","67.544","0.005","67.336","0.005","2330.2","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","","SQ1b","","- C48 H63 O3 S3 -","- C48 H63 O3 S3 -","- C96 H126 O6 S6 -","2","1","","Maeda, Takeshi; Oka, Taishi; Sakamaki, Daisuke; Fujiwara, Hideki; Suzuki, Naoya; Yagi, Shigeyuki; Konishi, Tatsuki; Kamada, Kenji","Unveiling a new aspect of oxocarbons: open-shell character of 4- and 5-membered oxocarbon derivatives showing near-infrared absorption.","Chemical science","2023","14","8","1978","1985","10.1039/d2sc06612b","","","0.71075","MoKα","","","0.0746","","","","0.0893","","","","","","1.113","","","","has coordinates","281343","2023-03-04","17:47:32",""
"1568276","10.29","0.0006","26.6421","0.0015","20.4572","0.0012","90","","101.477","0.003","90","","5496.1","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H89 Cu N5 O4 -","- C56 H89 Cu N5 O4 -","- C224 H356 Cu4 N20 O16 -","4","1","","Bower, Jamey K.; Reese, Maxwell S.; Mazin, Ilia M.; Zarnitsa, Lina M.; Cypcar, Andrew D.; Moore, Curtis E.; Sokolov, Alexander Yu; Zhang, Shiyu","C(sp3)-H cyanation by a formal copper(iii) cyanide complex.","Chemical science","2023","14","5","1301","1307","10.1039/d2sc06573h","","x-ray","0.71073","MoKα","K-L~3~","0.0568","0.0379","","","0.0906","0.0987","","","","","","1.035","","","","has coordinates,has disorder","281350","2023-03-04","17:50:28",""
"1568277","13.0154","0.0003","15.4677","0.0003","22.5915","0.0005","90","","97.887","0.001","90","","4505.06","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.35 H66.39 Cu N4 O5.15 -","- C46.343 H66.38 Cu N4 O5.152 -","- C185.372 H265.52 Cu4 N16 O20.608 -","4","1","","Bower, Jamey K.; Reese, Maxwell S.; Mazin, Ilia M.; Zarnitsa, Lina M.; Cypcar, Andrew D.; Moore, Curtis E.; Sokolov, Alexander Yu; Zhang, Shiyu","C(sp3)-H cyanation by a formal copper(iii) cyanide complex.","Chemical science","2023","14","5","1301","1307","10.1039/d2sc06573h","","x-ray","1.54178","CuKα","K-L~3~","0.0587","0.0525","","","0.1399","0.1487","","","","","","1.061","","","","has coordinates,has disorder","281350","2023-03-04","17:50:28",""
"1568278","11.115","0.0006","7.4032","0.0005","41.998","0.003","90","","93.75","0.005","90","","3448.5","0.4","150","","150","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C32 H17 N5 -","- C32 H17 N5 -","- C192 H102 N30 -","6","3","","Chen, Jinqiu; Yang, Canglei; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Zhang, Jing","Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion.","Chemical science","2023","14","8","2091","2096","10.1039/d2sc05942h","","","1.54178","CuKα","","0.098","0.0684","","","0.1663","0.1892","","","","","","1.028","","","","has coordinates","281346","2023-03-04","17:49:01",""
"1568279","7.023","0.01","9.909","0.014","11.109","0.014","65.89","0.06","74.66","0.05","73.28","0.04","666.2","1.6","296.83","","296.83","","","","","","","","","4","P 1","P 1","1","","","","- C36 H16 N6 O -","- C36 H16 N6 O -","- C36 H16 N6 O -","1","1","","Chen, Jinqiu; Yang, Canglei; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Zhang, Jing","Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion.","Chemical science","2023","14","8","2091","2096","10.1039/d2sc05942h","","","0.71076","MoKα","","0.1123","0.0842","","","0.1921","0.2096","","","","","","1.09","","","","has coordinates","281346","2023-03-04","17:49:01",""
"1568280","13.2549","0.0003","11.5853","0.0004","17.1735","0.0004","90","","97.293","0.002","90","","2615.86","0.12","294.93","0.1","294.93","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 N O3 S -","- C32 H27 N O3 S -","- C128 H108 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","x-ray","1.54184","CuKα","","0.0687","0.0607","","","0.1639","0.1763","","","","","","1.033","","","","has coordinates","281378","2023-03-04","17:59:11",""
"1568281","8.7448","0.0003","12.1996","0.0005","23.9382","0.001","90","","90","","90","","2553.8","0.17","301","2","301","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 N O3 S -","- C32 H27 N O3 S -","- C128 H108 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.0727","0.0389","","","0.0801","0.0915","","","","","","1.008","","","","has coordinates","281378","2023-03-04","17:59:11",""
"1568282","7.9263","0.0006","10.6732","0.0011","31.221","0.003","90","","90","","90","","2641.3","0.4","300","2","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 N O3 S -","- C32 H27 N O3 S -","- C128 H108 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.1072","0.0493","","","0.0937","0.1168","","","","","","1.023","","","","has coordinates","281378","2023-03-04","17:59:11",""
"1568283","11.0546","0.0003","11.54205","0.00018","18.2492","0.0004","90","","90","","90","","2328.47","0.09","292.9","0.1","292.9","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O3 S -","- C28 H25 N O3 S -","- C112 H100 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","x-ray","1.54184","CuKα","","0.0596","0.0564","","","0.1522","0.159","","","","","","1.049","","","","has coordinates","281378","2023-03-04","17:59:11",""
"1568284","9.7335","0.001","12.7669","0.0013","10.7629","0.0011","90","","90.849","0.004","90","","1337.3","0.2","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H27 N O3 S -","- C33 H27 N O3 S -","- C66 H54 N2 O6 S2 -","2","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.0738","0.054","","","0.1333","0.145","","","","","","1.027","","","","has coordinates","281378","2023-03-04","17:59:12",""
"1568285","10.7659","0.0011","13.158","0.0015","27.887","0.003","90","","100.454","0.004","90","","3884.8","0.7","149","2","149","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O -","- C26 H21 N O -","- C208 H168 N8 O8 -","8","2","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.1112","0.0681","","","0.1649","0.1963","","","","","","1.021","","","","has coordinates","281378","2023-03-04","17:59:12",""
"1568286","11.084","0.0012","11.2741","0.001","27.234","0.003","90","","90","","90","","3403.2","0.6","161","2","161","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 I N O4 S -","- C33 H28 I N O4 S -","- C132 H112 I4 N4 O16 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.0555","0.0401","","","0.099","0.1024","","","","","","1.653","","","","has coordinates","281378","2023-03-04","17:59:12",""
"1568287","11.6139","0.0007","13.4764","0.001","14.9925","0.001","92.051","0.003","93.362","0.003","94.406","0.003","2333.7","0.3","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N O3 S -","- C28 H25 N O3 S -","- C112 H100 N4 O12 S4 -","4","2","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.139","0.0603","","","0.1328","0.1605","","","","","","1.038","","","","has coordinates","281378","2023-03-04","17:59:12",""
"1568291","9.69861","0.00012","9.76722","0.00015","20.1618","0.0003","90","","98.7984","0.0012","90","","1887.42","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N P -","- C20 H18 Cl2 N P -","- C80 H72 Cl8 N4 P4 -","4","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","x-ray","1.54184","CuKα","","0.0512","0.0463","","","0.1265","0.1358","","","","","","1.075","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568292","15.839","0.0004","10.3662","0.0003","19.8011","0.0005","90","","90","","90","","3251.15","0.15","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Cl3 P -","- C18 H12 Cl3 P -","- C144 H96 Cl24 P8 -","8","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","","1.54178","CuKα","","0.032","0.0297","","","0.0783","0.08","","","","","","1.049","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568293","9.8206","0.0003","10.8079","0.0003","11.4388","0.0003","84.15","0.002","67.715","0.003","79.756","0.002","1104.73","0.06","236","4","236","4","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl6 N P -","- C20 H14 Cl6 N P -","- C40 H28 Cl12 N2 P2 -","2","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","x-ray","0.71073","MoKα","","0.0706","0.0462","","","0.1219","0.1339","","","","","","1.082","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568294","4.8136","0.0003","12.6603","0.0004","15.5459","0.0003","98.197","0.002","91.021","0.003","94.611","0.004","934.27","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H9 Cl6 P -","- C18 H9 Cl6 P -","- C36 H18 Cl12 P2 -","2","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","x-ray","1.54184","CuKα","","0.0797","0.0691","","","0.212","0.2423","","","","","","1.1","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568295","9.4252","0.0005","10.4766","0.0006","10.6229","0.0006","91.285","0.002","107.443","0.002","93.782","0.002","997.55","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl4 N P -","- C20 H16 Cl4 N P -","- C40 H32 Cl8 N2 P2 -","2","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","","1.54178","CuKα","","0.0536","0.0521","","","0.1413","0.1437","","","","","","1.053","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568296","16.8845","0.0002","41.326","0.0006","14.1744","0.0003","90","","90","","90","","9890.5","0.3","223","0.1","223","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C31 H53 Co2 O19 V6 -","- C31 H53 Co2 O19 V6 -","- C248 H424 Co16 O152 V48 -","8","1","","Schreiber, Eric; Brennessel, William W.; Matson, Ellen M.","Regioselectivity of concerted proton-electron transfer at the surface of a polyoxovanadate cluster.","Chemical science","2023","14","6","1386","1396","10.1039/d2sc05928b","","x-ray","1.54184","CuKα","","0.1086","0.0854","","","0.2566","0.2815","","","","","","1.064","","","","has coordinates,has disorder","281375","2023-03-04","17:57:10",""
"1568297","11.9826","0.0001","11.9965","0.0001","13.4313","0.0001","95.106","0.001","115.57","0.001","113.864","0.001","1509.23","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H106 N2 O19 V6 -","- C43 H106 N2 O19 V6 -","- C43 H106 N2 O19 V6 -","1","0.5","","Schreiber, Eric; Brennessel, William W.; Matson, Ellen M.","Regioselectivity of concerted proton-electron transfer at the surface of a polyoxovanadate cluster.","Chemical science","2023","14","6","1386","1396","10.1039/d2sc05928b","","x-ray","1.54184","CuKα","","0.0378","0.0361","","","0.0935","0.0945","","","","","","1.078","","","","has coordinates,has disorder","281375","2023-03-04","17:57:10",""
"1568298","16.8365","0.0011","18.0784","0.0013","20.746","0.0012","90","","90","","90","","6314.6","0.7","110.15","","110.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 F14 Fe6 N6 O20 -","- C36 H50 F14 Fe6 N6 O20 -","- C144 H200 F56 Fe24 N24 O80 -","4","1","","Gu, Yi-Ming; Yuan, You-You; Chen, Cai-Lin; Zhao, Sheng-Sheng; Sun, Tian-Jun; Han, Yu; Liu, Xiao-Wei; Lai, Zhiping; Wang, Shu-Dong","Fluorido-bridged robust metal-organic frameworks for efficient C2H2/CO2 separation under moist conditions.","Chemical science","2023","14","6","1472","1478","10.1039/d2sc06699h","","x-ray","0.71073","MoKα","","0.1092","0.0668","","","0.1487","0.1689","","","","","","1.034","","","","has coordinates","281371","2023-03-04","17:56:25",""
"1568299","7.1992","0.0017","17.607","0.005","6.177","0.0014","90","","90","","90","","783","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4 H8 Cl3 N Ni -","- C4 H8 Cl3 N Ni -","- C16 H32 Cl12 N4 Ni4 -","4","0.5","","Ni, Hao-Fei; Ye, Lou-Kai; Zhuge, Peng-Cheng; Hu, Bo-Lan; Lou, Jia-Rui; Su, Chang-Yuan; Zhang, Zhi-Xu; Xie, Li-Yan; Fu, Da-Wei; Zhang, Yi","A nickel(ii)-based one-dimensional organic-inorganic halide perovskite ferroelectric with the highest Curie temperature.","Chemical science","2023","14","7","1781","1786","10.1039/d2sc05857j","","","0.71073","MoKα","","0.0399","0.0337","","","0.0587","0.0607","","","","","","1.081","","","","has coordinates","281380","2023-03-04","17:59:56",""
"1568300","7.35","0.03","17.78","0.07","6.23","0.02","90","","90","","90","","814","5","453","2","453","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H8 Cl3 N Ni -","- C4 H11 Cl3 N Ni -","- C16 H44 Cl12 N4 Ni4 -","4","0.25","","Ni, Hao-Fei; Ye, Lou-Kai; Zhuge, Peng-Cheng; Hu, Bo-Lan; Lou, Jia-Rui; Su, Chang-Yuan; Zhang, Zhi-Xu; Xie, Li-Yan; Fu, Da-Wei; Zhang, Yi","A nickel(ii)-based one-dimensional organic-inorganic halide perovskite ferroelectric with the highest Curie temperature.","Chemical science","2023","14","7","1781","1786","10.1039/d2sc05857j","","","0.71073","MoKα","","0.0755","0.0612","","","0.1752","0.1863","","","","","","1.006","","","","has coordinates","281380","2023-03-04","17:59:57",""
"1568301","18.202","0.004","29.004","0.006","29.977","0.006","90","","90","","90","","15826","6","80","2","80","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C164 H130 N19 O15 Pd2 -","- C164 H130 N19 O15 Pd2 -","- C656 H520 N76 O60 Pd8 -","4","0.5","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd2L4 cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.1489","0.117","","","0.3686","0.4027","","","","","","1.462","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568302","30.02","0.004","30.02","0.004","29.369","0.006","90","","90","","90","","26467","7","100","2","100","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C161 H124.5 Cl2.5 N13.5 O13 Pd2 -","- C161 H124.5 Cl2.5 N13.5 O13 Pd2 -","- C1288 H996 Cl20 N108 O104 Pd16 -","8","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd2L4 cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","1.54178","CuKα","","0.0953","0.0891","","","0.2449","0.2527","","","","","","1.012","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568303","21.804","0.004","25.207","0.005","28.839","0.006","90","","97.68","0.03","90","","15708","5","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C166 H138 F24 N12 O P4 Pd2 -","- C166 H138 F24 N12 O P4 Pd2 -","- C664 H552 F96 N48 O4 P16 Pd8 -","4","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd2L4 cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.1014","0.0911","","","0.2719","0.2823","","","","","","1.031","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568304","30.0723","0.0009","30.0723","0.0009","29.2855","0.0018","90","","90","","90","","26484","2","100","2","100","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C160 H124 N13 O11 Pd2 Re2 -","- C160 H124 N13 O11 Pd2 Re2 -","- C1280 H992 N104 O88 Pd16 Re16 -","8","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd2L4 cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.71073","MoKα","","0.1162","0.1069","","","0.303","0.3144","","","","","","1.051","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568305","22.378","0.005","25.42","0.005","29.183","0.006","90","","97.42","0.03","90","","16462","6","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C169 H145 F24 N12 O1.5 Pd2 Sb4 -","- C169 H145 F24 N12 O1.5 Pd2 Sb4 -","- C676 H580 F96 N48 O6 Pd8 Sb16 -","4","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd2L4 cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.0855","0.0721","","","0.2193","0.2326","","","","","","1.061","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568306","30.0828","0.0008","30.0828","0.0008","29.4215","0.0007","90","","90","","90","","26625.7","1.2","100","2","100","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C160 H124 B4 F16 N12 Pd2 -","- C160 H124 B4.01 F16.04 N12 Pd2 -","- C1280 H992 B32.08 F128.32 N96 Pd16 -","8","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd2L4 cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","1.54178","CuKα","","0.0948","0.0875","","","0.2597","0.2674","","","","","","1.102","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568307","17.107","0.003","33.911","0.007","27.153","0.005","90","","99.19","0.03","90","","15550","5","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C171.25 H142 F10.5 N12 O11.75 Pd2 S3.5 -","- C171.18 H141.92 F10.5 N12 O11.78 Pd2 S3.5 -","- C684.72 H567.68 F42 N48 O47.12 Pd8 S14 -","4","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd2L4 cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.1155","0.0945","","","0.2854","0.3076","","","","","","1.022","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568308","15.9821","0.0004","14.8327","0.0003","19.0411","0.0004","90","","94.264","0.002","90","","4501.35","0.17","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1","","- C48 H60 O8 -","- C48 H60 O8 -","- C192 H240 O32 -","4","1","","Tao, Si-Chen; Meng, Fan-Cheng; Wang, Tie; Zheng, Yan-Long","Ni-catalyzed arylation of alkynes with organoboronic acids and aldehydes to access stereodefined allylic alcohols.","Chemical science","2023","14","8","2040","2045","10.1039/d2sc05894d","","x-ray","1.54184","CuKα","","0.1083","0.0946","","","0.2749","0.2958","","","","","","1.139","","","","has coordinates","281347","2023-03-04","17:49:16",""
"1568309","12.5957","0.0003","13.0422","0.0004","15.109","0.0005","84.924","0.003","76.057","0.002","69.976","0.002","2263.24","0.12","293","2","293","","","","","","","","","4","P -1","-P 1","2","","1","","- C46 H54 F6 O6 -","- C46 H54 F6 O6 -","- C92 H108 F12 O12 -","2","1","","Tao, Si-Chen; Meng, Fan-Cheng; Wang, Tie; Zheng, Yan-Long","Ni-catalyzed arylation of alkynes with organoboronic acids and aldehydes to access stereodefined allylic alcohols.","Chemical science","2023","14","8","2040","2045","10.1039/d2sc05894d","","x-ray","1.54184","CuKα","","0.1139","0.0881","","","0.2964","0.3349","","","","","","1.22","","","","has coordinates","281347","2023-03-04","17:49:16",""
"1568310","17.9673","0.0007","15.1856","0.0005","18.5806","0.0008","90","","103.304","0.004","90","","4933.6","0.3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1","","- C56 H64 O4 -","- C56 H64 O4 -","- C224 H256 O16 -","4","1","","Tao, Si-Chen; Meng, Fan-Cheng; Wang, Tie; Zheng, Yan-Long","Ni-catalyzed arylation of alkynes with organoboronic acids and aldehydes to access stereodefined allylic alcohols.","Chemical science","2023","14","8","2040","2045","10.1039/d2sc05894d","","x-ray","1.54184","CuKα","","0.1251","0.0955","","","0.2689","0.3144","","","","","","1.081","","","","has coordinates","281347","2023-03-04","17:49:16",""
"1568311","9.9956","0.001","14.6178","0.0015","32.816","0.003","90","","96.941","0.002","90","","4759.7","0.8","193","2","193","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 B2 F3 Ge N3 O3 P S -","- C43 H61 B2 F3 Ge N3 O3 P S -","- C172 H244 B8 F12 Ge4 N12 O12 P4 S4 -","4","1","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","","0.71073","MoKα","","0.0661","0.0438","","","0.1077","0.1216","","","","","","1.036","","","","has coordinates","281383","2023-03-04","18:00:56",""
"1568312","10.0247","0.0004","14.6574","0.0006","32.8291","0.0014","90","","97.0402","0.0017","90","","4787.4","0.3","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 As B2 F3 Ge N3 O3 S -","- C43 H61 As B2 F3 Ge N3 O3 S -","- C172 H244 As4 B8 F12 Ge4 N12 O12 S4 -","4","1","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","","1.54178","CuKα","","0.0411","0.0397","","","0.1054","0.1072","","","","","","1.059","","","","has coordinates","281383","2023-03-04","18:00:57",""
"1568313","35.1849","0.0003","10.4401","0.0001","35.7996","0.0003","90","","105.925","0.001","90","","12645.7","0.2","100","0.1","100","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C111.65 H163.3 B4 Cl3.3 F6 Ge2 N8 O6 P2 S2 -","- C110.65 H161.3 B4 Cl1.3 F6 Ge2 N8 O6 P2 S2 -","- C442.6 H645.2 B16 Cl5.2 F24 Ge8 N32 O24 P8 S8 -","4","1","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","x-ray","1.54184","CuKα","","0.1081","0.0762","","","0.1957","0.2096","","","","","","1.038","","","","has coordinates,has disorder","281383","2023-03-04","18:00:57",""
"1568314","35.2609","0.0002","10.43718","0.00008","35.8116","0.0003","90","","105.96","0.0007","90","","12671.5","0.17","100","0.1","100","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C55.8 H81.6 As B2 Cl1.6 F3 Ge N4 O3 S -","- C55.8 H81.6 As B2 Cl1.6 F3 Ge N4 O3 S -","- C446.4 H652.8 As8 B16 Cl12.8 F24 Ge8 N32 O24 S8 -","8","2","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","x-ray","1.54184","CuKα","","0.0857","0.0734","","","0.1925","0.1992","","","","","","1.067","","","","has coordinates,has disorder","281383","2023-03-04","18:00:57",""
"1568315","20.0556","0.001","13.4841","0.0005","16.4559","0.0007","90","","107.412","0.005","90","","4246.3","0.3","133","","133","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 Fe N4 -","- C40 H62 Fe N4 -","- C160 H248 Fe4 N16 -","4","0.5","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.71075","MoKα","","0.0743","0.0497","","","0.121","0.1327","","","","","","1.025","","","","has coordinates","281352","2023-03-04","17:50:55",""
"1568316","12.836","0.004","12.928","0.004","13.403","0.004","90","","104.798","0.004","90","","2150.4","1.1","203","","203","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 Fe Ge2 N4 -","- C46 H62 Fe Ge2 N4 -","- C92 H124 Fe2 Ge4 N8 -","2","0.5","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.71075","MoKα","","0.0878","0.0607","","","0.133","0.147","","","","","","1.083","","","","has coordinates","281352","2023-03-04","17:50:55",""
"1568317","14.0493","0.0006","24.0246","0.0009","19.8466","0.0007","90","","92.615","0.004","90","","6691.8","0.4","113","","113","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C74 H90 Fe Ge4 N4 O2 -","- C74 H90 Fe Ge4 N4 O2 -","- C296 H360 Fe4 Ge16 N16 O8 -","4","1","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.71075","MoKα","","0.0749","0.0505","","","0.0899","0.0996","","","","","","1.015","","","","has coordinates","281352","2023-03-04","17:50:55",""
"1568318","12.2039","0.0002","20.0943","0.0003","22.0081","0.0004","90","","98.0205","0.0016","90","","5344.23","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H70 Fe Ge3 N4 -","- C58 H70 Fe Ge3 N4 -","- C232 H280 Fe4 Ge12 N16 -","4","1","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.4122","synchrotron","","0.1582","0.075","","","0.1349","0.1567","","","","","","1.032","","","","has coordinates","281352","2023-03-04","17:50:55",""
"1568319","16.684","0.0005","19.1264","0.0005","10.702","0.0003","90","","90","","90","","3415.06","0.17","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H54 Cl N3 O3 -","- C32 H54 Cl N3 O3 -","- C128 H216 Cl4 N12 O12 -","4","0.5","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","1.54178","CuKα","","0.1003","0.08","","","0.1887","0.2029","","","","","","1.062","","","","has coordinates,has disorder","282304","2023-04-04","10:04:30",""
"1568320","19.8888","0.0005","11.5941","0.0003","20.0988","0.0005","90","","112.329","0.001","90","","4287.12","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H58 Cl2 N5 Sc -","- C45 H58 Cl2 N5 Sc -","- C180 H232 Cl8 N20 Sc4 -","4","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","1.54178","CuKα","","0.0382","0.0336","","","0.0896","0.0946","","","","","","1.052","","","","has coordinates,has disorder","282304","2023-04-04","10:04:31",""
"1568321","11.7634","0.0003","18.4422","0.0005","19.7845","0.0006","90","","93.583","0.001","90","","4283.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H64 Gd N5 -","- C47 H64 Gd N5 -","- C188 H256 Gd4 N20 -","4","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","0.71073","MoKα","","0.0415","0.0305","","","0.054","0.058","","","","","","1.103","","","","has coordinates","282304","2023-04-04","10:04:31",""
"1568322","10.8628","0.0007","11.7806","0.0007","18.3075","0.001","86.193","0.002","83.654","0.002","71.048","0.002","2201.1","0.2","173","2","173","2","","","","","","","Hexane","4","P -1","-P 1","2","","","","- C47 H64 N5 Y -","- C47 H64 N5 Y -","- C94 H128 N10 Y2 -","2","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","0.71073","MoKα","","0.0385","0.0302","","","0.0693","0.0753","","","","","","1.072","","","","has coordinates,has disorder","282304","2023-04-04","10:04:31",""
"1568323","19.891","0.002","11.624","0.0012","20.148","0.002","90","","112.715","0.002","90","","4297.2","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H64 N5 Sc -","- C47 H64 N5 Sc -","- C188 H256 N20 Sc4 -","4","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","0.71073","MoKα","","0.118","0.1083","","","0.2108","0.2142","","","","","","1.419","","","","has coordinates,has disorder","282304","2023-04-04","10:04:31",""
"1568324","14.149","0.0006","7.7293","0.0003","20.6546","0.0009","90","","91.659","0.004","90","","2257.88","0.16","95","0.1","95","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H22 B20 I2 S2 -","- C4 H22 B20 I2 S2 -","- C16 H88 B80 I8 S8 -","4","1","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","x-ray","1.54184","CuKα","","0.058","0.0405","","","0.0907","0.0972","","","","1.7126","1.7126","1.5754","","","","has coordinates","281373","2023-03-04","17:56:52",""
"1568325","11.4344","0.0006","11.4344","0.0006","29.4398","0.0016","90","","90","","120","","3333.4","0.3","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C8 H44 B40 Cu4 S4 -","- C8 H44 B40 Cu4 S4 -","- C24 H132 B120 Cu12 S12 -","3","0.5","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","","0.71073","MoKα","","0.057","0.0513","","","0.1266","0.1305","","","","","","1.121","","","","has coordinates","281373","2023-03-04","17:56:52",""
"1568326","12.716","0.003","12.716","0.003","39.812","0.008","90","0.03","90","0.03","90","0.03","6437","3","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C8 H41 B40 Cu4 I3 S4 -","- C8 H41 B40 Cu4 I3 S4 -","- C32 H164 B160 Cu16 I12 S16 -","4","0.5","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","","0.71073","MoKα","","0.1123","0.1061","","","0.2772","0.2841","","","","","","1.082","","","","has coordinates","281373","2023-03-04","17:56:52",""
"1568327","11.3989","0.0007","11.9482","0.0007","32.3144","0.0019","90","","91.213","0.002","90","","4400.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H44 B40 Cu4 S4 -","- C8 H44 B40 Cu4 S4 -","- C32 H176 B160 Cu16 S16 -","4","1","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","","0.71073","MoKα","","0.1808","0.0986","","","0.1819","0.2141","","","","","","1.116","","","","has coordinates","281373","2023-03-04","17:56:52",""
"1568331","14.8529","0.0012","20.5937","0.0018","5.5853","0.0005","90","","90","","90","","1708.4","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C80 H76 N4 O20 -","4","1","","d’Aleman, Antoine; Gayraud, Oscar; Fressigné, Catherine; Petit, Emilie; Bailly, Laetitia; Maddaluno, Jacques; De Paolis, Michaël","Organocatalyzed enantio- and diastereoselective isomerization of prochiral 1,3-cyclohexanediones into nonalactones bearing distant stereocenters","Chemical Science","2023","14","8","2107","2113","10.1039/D2SC06842G","","","0.71073","MoKα","","0.0378","0.0364","","","0.0916","0.0925","","","","","","1.081","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568332","12.0582","0.0004","13.8579","0.0005","23.2328","0.0008","90.646","0.001","97.97","0.001","86.033","0.001","3835.5","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma2)1.5].(depma2)0.5.CH3OH","","- C77 H88 Dy N3 O22 P4 -","- C77 H88 Dy N3 O22 P4 -","- C154 H176 Dy2 N6 O44 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks via reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","0.71073","MoKα","","0.0697","0.0504","","","0.1148","0.1222","","","","","","1.04","","","","has coordinates,has disorder","281382","2023-03-04","18:00:22",""
"1568333","12.0168","0.0018","13.485","0.002","23.445","0.003","90.47","0.006","97.255","0.004","93.184","0.006","3762.5","0.9","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma2)1.5].(depma2)0.5","","- C76 H84 Dy N3 O21 P4 -","- C76 H84 Dy N3 O21 P4 -","- C152 H168 Dy2 N6 O42 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks via reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","0.71073","MoKα","","0.0921","0.069","","","0.1765","0.1954","","","","","","1.072","","","","has coordinates,has disorder","281382","2023-03-04","18:00:22",""
"1568334","12.1321","0.001","13.3341","0.001","23.3083","0.0017","90.473","0.003","95.995","0.003","92.718","0.003","3745.4","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma)(depma2)].(depma2)0.5","","- C76 H84 Dy N3 O21 P4 -","- C76 H84 Dy N3 O21 P4 -","- C152 H168 Dy2 N6 O42 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks via reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","0.71073","MoKα","","0.0827","0.0581","","","0.1485","0.1703","","","","","","1.034","","","","has coordinates","281382","2023-03-04","18:00:22",""
"1568335","12.0667","0.0005","13.4722","0.0006","23.4814","0.001","90.745","0.002","97.128","0.002","93.145","0.002","3781.3","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma2)1.5].(depma2)0.5","","- C76 H84 Dy N3 O21 P4 -","- C76 H84 Dy N3 O21 P4 -","- C152 H168 Dy2 N6 O42 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks via reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","1.34139","GaKα","","0.0941","0.0755","","","0.2062","0.2204","","","","","","1.073","","","","has coordinates","281382","2023-03-04","18:00:22",""
"1568336","15.5164","0.0002","9.4299","0.0001","17.7244","0.0003","90","","108.412","0.002","90","","2460.64","0.07","99.9","0.3","99.9","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 N4 Ni -","- C24 H44 N4 Ni -","- C96 H176 N16 Ni4 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0369","0.0318","","","0.0794","0.0824","","","","","","1.039","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568337","15.7119","0.0003","9.6716","0.0002","19.5224","0.0003","90","","94.027","0.002","90","","2959.28","0.1","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 N4 Ni -","- C30 H54 N4 Ni -","- C120 H216 N16 Ni4 -","4","0.5","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0453","0.0433","","","0.1115","0.1132","","","","","","1.044","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50",""
"1568338","5.7823","0.0002","8.4295","0.0004","14.2439","0.0005","87.274","0.003","84.401","0.003","89.585","0.003","690.18","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 B2 O4 -","- C16 H14 B2 O4 -","- C32 H28 B4 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0687","0.0668","","","0.2217","0.2231","","","","","","1.187","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568339","12.0496","0.0001","19.7726","0.0001","16.7786","0.0001","90","","110.877","0.001","90","","3735.09","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H64 B2 N4 Ni O4 -","- C34 H64 B2 N4 Ni O4 -","- C136 H256 B8 N16 Ni4 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0408","0.0397","","","0.0945","0.0949","","","","","","1.201","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568340","10.8305","0.0002","18.882","0.0003","19.1567","0.0003","62.566","0.002","83.687","0.002","81.606","0.001","3435.69","0.12","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 B2 N4 Ni O4 -","- C34 H48 B2 N4 Ni O4 -","- C136 H192 B8 N16 Ni4 O16 -","4","2","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0451","0.0396","","","0.1039","0.1076","","","","","","1.074","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568341","10.2981","0.0002","17.9201","0.0002","18.0389","0.0003","116.089","0.002","93.688","0.001","93.509","0.001","2968.67","0.1","99.9","0.7","99.9","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C26 H48 B2 N4 Ni O4 -","- C26 H48 B2 N4 Ni O4 -","- C104 H192 B8 N16 Ni4 O16 -","4","2","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0485","0.0445","","","0.1212","0.1246","","","","","","1.017","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50",""
"1568342","6.3585","0.0001","8.8436","0.0002","16.0653","0.0004","100.552","0.002","97.42","0.002","93.988","0.002","876.64","0.03","99.9","0.6","99.9","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 B2 O4 -","- C21 H16 B2 O4 -","- C42 H32 B4 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0464","0.0419","","","0.1127","0.1173","","","","","","1.047","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568343","10.237","0.0002","11.4631","0.0002","13.66","0.0003","113.599","0.002","91.47","0.002","93.724","0.002","1463.47","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 B2 F6 O4 -","- C34 H22 B2 F6 O4 -","- C68 H44 B4 F12 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0461","0.0405","","","0.1069","0.1114","","","","","","1.071","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50",""
"1568344","10.0336","0.0001","12.4047","0.0002","12.9515","0.0003","62.329","0.002","78.295","0.001","83.938","0.001","1397.82","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 B4 O8 -","- C31 H25 B4 O8 -","- C62 H50 B8 O16 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.047","0.044","","","0.112","0.1144","","","","","","1.02","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50",""
"1568345","10.3698","0.0002","10.8321","0.0002","11.1405","0.0003","94.791","0.002","108.533","0.002","103.715","0.002","1135.37","0.05","100","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 B2 O4 -","- C28 H22 B2 O4 -","- C56 H44 B4 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0399","0.037","","","0.0959","0.0985","","","","","","1.05","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568346","10.3586","0.0001","16.2208","0.0002","20.3367","0.0002","90","","94.882","0.001","90","","3404.67","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 B2 N2 O4 -","- C39 H42 B2 N2 O4 -","- C156 H168 B8 N8 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0422","0.0372","","","0.0953","0.0987","","","","","","1.055","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568347","12.9444","0.0002","15.0597","0.0001","9.5195","0.0001","90","","98.503","0.001","90","","1835.32","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 B2 O4 -","- C20 H20 B2 O4 -","- C80 H80 B8 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0469","0.0436","","","0.1156","0.1185","","","","","","1.046","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568348","9.7326","0.0002","10.1947","0.0002","19.1912","0.0005","76.146","0.002","86.927","0.002","64.991","0.002","1672.98","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H35 B4 N O8 Si -","- C37 H35 B4 N O8 Si -","- C74 H70 B8 N2 O16 Si2 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","","1.54184","CuKα","","0.0495","0.0429","","","0.1164","0.121","","","","","","1.04","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568349","11.2396","0.0001","19.3916","0.0001","19.4256","0.0001","90","","97.714","0.001","90","","4195.57","0.05","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H62 B2 N4 Ni O4 -","- C42 H62 B2 N4 Ni O4 -","- C168 H248 B8 N16 Ni4 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0379","0.0342","","","0.0884","0.091","","","","","","1.063","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568350","12.3362","0.0001","17.5427","0.0002","17.1923","0.0002","90","","97.966","0.001","90","","3684.69","0.07","99.9","0.4","99.9","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 B2 N4 Ni O4 -","- C38 H54 B2 N4 Ni O4 -","- C152 H216 B8 N16 Ni4 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0399","0.0362","","","0.0977","0.1003","","","","","","1.046","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568351","9.8008","0.0001","11.1639","0.0001","20.6104","0.0003","81.513","0.001","82.36","0.001","66.213","0.001","2034.2","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 B2 O4 -","- C26 H18 B2 O4 -","- C104 H72 B8 O16 -","4","2","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0397","0.0368","","","0.0941","0.0973","","","","","","0.647","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568352","15.389","0.003","8.8015","0.0018","23.005","0.009","90","","101.75","0.03","90","","3050.6","1.5","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H34 N6 O2 Sn2 -","- C34 H34 N6 O2 Sn2 -","- C136 H136 N24 O8 Sn8 -","4","0.5","","Sikora, Philipp; Naumann, Robert; Förster, Christoph; Heinze, Katja","Excited state energy landscape of phosphorescent group 14 complexes.","Chemical science","2023","14","10","2489","2500","10.1039/d2sc06984a","","","0.71073","MoKα","","0.0309","0.0293","","","0.0719","0.073","","","","","","1.11","","","","has coordinates","283149","2023-05-05","00:54:10",""
"1568353","28.972","0.004","28.972","0.004","8.1427","0.0016","90","","90","","120","","5919.1","1.6","120","2","120","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C15 H13 N3 Sn -","- C15 H13 N3 Sn -","- C270 H234 N54 Sn18 -","18","2","","Sikora, Philipp; Naumann, Robert; Förster, Christoph; Heinze, Katja","Excited state energy landscape of phosphorescent group 14 complexes.","Chemical science","2023","14","10","2489","2500","10.1039/d2sc06984a","","","0.71073","MoKα","","0.0378","0.037","","","0.0952","0.0958","","","","","","1.133","","","","has coordinates,has disorder","283149","2023-05-05","00:54:10",""
"1568354","14.475","0.0015","22.912","0.002","31.837","0.003","90","","90","","90","","10558.8","1.7","120","","120","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C60 H46 Cl6 N4 O8 -","- C60 H46 Cl6 N4 O8 -","- C480 H368 Cl48 N32 O64 -","8","2","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.1825","0.1111","","","0.2443","0.2831","","","","","","1.022","","","","has coordinates,has disorder","282302","2023-04-04","10:03:40",""
"1568355","8.7404","0.0011","9.8973","0.0014","15.641","0.002","100.242","0.006","95.44","0.006","96.856","0.007","1312.6","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H43 N5 O10 -","- C58 H43 N5 O10 -","- C58 H43 N5 O10 -","1","0.5","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.2968","0.1396","","","0.388","0.4474","","","","","","1.098","","","","has coordinates,has disorder","282302","2023-04-04","10:03:49",""
"1568356","10.4617","0.0015","12.3933","0.0019","13.748","0.002","67.233","0.01","88.114","0.011","80.705","0.01","1621.2","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 Cl12 N6 O12 -","- C62 H46 Cl12 N6 O12 -","- C62 H46 Cl12 N6 O12 -","1","0.5","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.1294","0.0597","","","0.1311","0.1584","","","","","","0.973","","","","has coordinates,has disorder","282302","2023-04-04","10:03:52",""
"1568357","26.736","0.003","16.294","0.002","14.3851","0.0017","90","","114.589","0.005","90","","5698.4","1.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 N4 O8 -","- C58 H44 N4 O8 -","- C232 H176 N16 O32 -","4","0.5","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.103","0.0835","","","0.2464","0.2585","","","","","","1.05","","","","has coordinates,has disorder","282302","2023-04-04","10:03:56",""
"1568358","9.412","0.002","23.109","0.016","30.268","0.01","86.235","0.007","85.355","0.002","89.587","0.009","6548","5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C117 H89 Cl3 N8 O16 -","- C117 H89 Cl3 N8 O16 -","- C234 H178 Cl6 N16 O32 -","2","1","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.3913","0.1584","","","0.4012","0.539","","","","","","0.971","","","","has coordinates,has disorder","282302","2023-04-04","10:03:57",""
"1568359","8.3226","0.0004","9.9577","0.0005","10.0572","0.0005","91.536","0.004","113.802","0.005","111.884","0.005","692.05","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 F4 N3 O4 S2 -","- C8 H11 F4 N3 O4 S2 -","- C16 H22 F8 N6 O8 S4 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","0.71073","MoKα","","0.0431","0.038","","","0.0965","0.0999","","","","","","1.094","","","","has coordinates","283153","2023-05-05","00:55:33",""
"1568360","7.9455","0.0002","8.6095","0.0002","9.9932","0.0002","95.988","0.002","110.473","0.002","105.27","0.002","603.04","0.03","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C7 H11 F2 N3 O4 S2 -","- C7 H11 F2 N3 O4 S2 -","- C14 H22 F4 N6 O8 S4 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0329","0.0325","","","0.0818","0.0822","","","","","","1.053","","","","has coordinates,has disorder","283153","2023-05-05","00:55:43",""
"1568361","10.1756","0.0002","11.1177","0.0002","14.7584","0.0003","71.995","0.002","74.529","0.002","89.874","0.002","1524.43","0.06","100","2","100","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C9 H11 F6 N3 O4 S2 -","- C9 H11 F6 N3 O4 S2 -","- C36 H44 F24 N12 O16 S8 -","4","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0386","0.0356","","","0.0967","0.0989","","","","","","1.085","","","","has coordinates","283153","2023-05-05","00:55:46",""
"1568362","18.1649","0.0003","8.3747","0.0001","23.0541","0.0005","90","","90","","90","","3507.12","0.1","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H15 F6 N3 O4 S2 -","- C11 H15 F6 N3 O4 S2 -","- C88 H120 F48 N24 O32 S16 -","8","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0693","0.0577","","","0.1546","0.1676","","","","","","1.073","","","","has coordinates","283153","2023-05-05","00:55:56",""
"1568363","9.2307","0.0001","9.6375","0.0001","16.6863","0.0001","90","","90","","90","","1484.43","0.02","100","2","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 F2 N2 O4 S2 -","- C10 H20 F2 N2 O4 S2 -","- C40 H80 F8 N8 O16 S8 -","4","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0713","0.0718","","","","","","1.063","","","","has coordinates","283153","2023-05-05","00:55:59",""
"1568364","12.0609","0.0001","8.4597","0.0001","34.0782","0.0002","90","","93.118","0.001","90","","3471.91","0.05","100","2","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 F12 N6 O8 S4 -","- C20 H30 F12 N6 O8 S4 -","- C80 H120 F48 N24 O32 S16 -","4","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.1013","0.0994","","","0.2143","0.2149","","","","","","2.948","","","","has coordinates,has disorder","283153","2023-05-05","00:56:33",""
"1568365","8.25097","0.00018","10.3115","0.0002","19.7803","0.0005","90","","98.622","0.002","90","","1663.89","0.06","238","2","238.49","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 F4 N2 O4 S2 -","- C11 H20 F4 N2 O4 S2 -","- C44 H80 F16 N8 O16 S8 -","4","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0978","0.0906","","","0.273","0.2872","","","","","","1.15","","","","has coordinates","283153","2023-05-05","00:56:36",""
"1568366","5.6676","0.0001","16.1685","0.0002","11.191","0.0001","90","","98.415","0.001","90","","1014.46","0.02","100","2","99.9","0.6","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H15 Ag F4 N4 O8 S4 -","- C10 H15 Ag F4 N4 O8 S4 -","- C20 H30 Ag2 F8 N8 O16 S8 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0392","0.0379","","","0.1035","0.1064","","","","","","1.037","","","","has coordinates","283153","2023-05-05","00:56:48",""
"1568367","8.9762","0.0001","18.0158","0.0001","35.4048","0.0002","90","","90","","90","","5725.43","0.08","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H15 F2 N3 O4 S2 -","- C9 H15 F2 N3 O4 S2 -","- C144 H240 F32 N48 O64 S32 -","16","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0474","0.0455","","","0.1317","0.1335","","","","","","1.056","","","","has coordinates,has disorder","283153","2023-05-05","00:56:51",""
"1568368","5.9059","0.0001","8.225","0.0002","10.7395","0.0002","103.427","0.002","101.901","0.002","107.938","0.002","460.501","0.019","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H11 Ag F4 N4 O8 S4 -","- C8 H11 Ag F4 N4 O8 S4 -","- C8 H11 Ag F4 N4 O8 S4 -","1","0.5","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","0.71073","MoKα","","0.0352","0.0273","","","0.0691","0.0723","","","","","","1.042","","","","has coordinates,has disorder","283153","2023-05-05","00:56:56",""
"1568369","8.1326","0.0001","11.5911","0.0001","17.2771","0.0001","104.234","0.001","95.326","0.001","92.313","0.001","1568.45","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H15 F4 N3 O4 S2 -","- C10 H15 F4 N3 O4 S2 -","- C40 H60 F16 N12 O16 S8 -","4","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0559","0.053","","","0.1451","0.1503","","","","","","1.083","","","","has coordinates","283153","2023-05-05","00:56:59",""
"1568370","8.981","0.0001","9.3656","0.0001","11.9008","0.0002","70.207","0.001","75.403","0.001","71.869","0.001","882.98","0.02","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 F6 N2 O4 S2 -","- C12 H20 F6 N2 O4 S2 -","- C24 H40 F12 N4 O8 S4 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0712","0.0698","","","0.1911","0.1931","","","","","","1.062","","","","has coordinates","283153","2023-05-05","00:57:08",""
"1568371","9.5881","0.0002","10.8805","0.0002","11.469","0.0001","87.979","0.001","78.644","0.001","64.936","0.002","1061.04","0.04","100","2","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C11 H20 Ag F4 N3 O8 S4 -","- C11 H20 Ag F4 N3 O8 S4 -","- C22 H40 Ag2 F8 N6 O16 S8 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0572","0.0556","","","0.1526","0.1553","","","","","","1.063","","","","has coordinates,has disorder","283153","2023-05-05","00:57:11",""
"1568379","27.5152","0.0014","48.566","0.003","55.058","0.003","90","","91.649","0.001","90","","73544","7","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C422 H299 B11.5 F47 N72 O27.75 Zn8 -","- C422 H288 B11.75 F47 N72 O27.4999 Zn8 -","- C1688 H1152 B47 F188 N288 O110 Zn32 -","4","1","","Li, Danyang; Liu, Xin; Yang, Linlin; Li, Hechuan; Guo, Guoxu; Li, Xuezhao; He, Cheng","Highly efficient Förster resonance energy transfer between an emissive tetraphenylethylene-based metal-organic cage and the encapsulated dye guest.","Chemical science","2023","14","8","2237","2244","10.1039/d2sc06022a","","","0.71073","MoKα","","0.3647","0.1153","","","0.2815","0.3155","","","","","","0.983","","","","has coordinates,has disorder","281344","2023-03-04","17:48:05",""
"1568380","27.2167","0.0015","33.1187","0.0019","38.817","0.002","88.598","0.002","88.357","0.001","83.075","0.002","34712","3","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C453.5 H351.5 B7.5 Br F30 N77.5 O62 Zn8 -","- C453.5 H289.5 B7.5 Br F30 N77.5 O62.0005 Zn8 -","- C907 H579 B15 Br2 F60 N155 O124.001 Zn16 -","2","1","","Li, Danyang; Liu, Xin; Yang, Linlin; Li, Hechuan; Guo, Guoxu; Li, Xuezhao; He, Cheng","Highly efficient Förster resonance energy transfer between an emissive tetraphenylethylene-based metal-organic cage and the encapsulated dye guest.","Chemical science","2023","14","8","2237","2244","10.1039/d2sc06022a","","","0.71073","MoKα","","0.2409","0.1497","","","0.3963","0.4502","","","","","","0.976","","","","has coordinates,has disorder","281344","2023-03-04","17:48:06",""
"1568381","7.2214","0.0005","28.506","0.002","13.0812","0.0009","90","","92.638","0.003","90","","2690","0.3","100","0.5","100","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H26 Cl N O2 -","- C34 H26 Cl N O2 -","- C136 H104 Cl4 N4 O8 -","4","2","","Das, Saikat; Kondoh, Azusa; Terada, Masahiro","Enantioselective direct Michael addition of cyanohydrin ether derivatives to enones catalyzed by chiral bis(guanidino)iminophosphorane organosuperbase.","Chemical science","2023","14","12","3154","3159","10.1039/d2sc07065k","","","0.71073","MoKα","","0.0705","0.0681","","","0.1756","0.1777","","","","","","1.073","","","","has coordinates","282305","2023-04-04","10:04:40",""
"1568384","18.0228","0.0008","18.6557","0.0011","24.1397","0.001","81.335","0.004","80.527","0.004","62.02","0.005","7044.8","0.7","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C114 H226 Cr4 O28 Si7 -","- C114 H226 Cr4 O28 Si7 -","- C228 H452 Cr8 O56 Si14 -","2","1","","Nobile, Anna Giorgia; Trummer, David; Berkson, Zachariah J.; Wörle, Michael; Copéret, Christophe; Payard, Pierre-Adrien","Assigning 1H chemical shifts in paramagnetic mono- and bimetallic surface sites using DFT: a case study on the Union Carbide polymerization catalyst","Chemical Science","2023","14","9","2361","2368","10.1039/D2SC06827C","","x-ray","0.71073","MoKα","K-L~3~","0.1753","0.0875","","","0.1533","0.1928","","","","","","1.021","","","","has coordinates,has disorder","281393","2023-03-04","18:02:43",""
"1568385","8.8055","0.0007","11.8006","0.0009","19.3349","0.0015","90","","91.749","0.004","90","","2008.2","0.3","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F N2 O4 -","- C24 H21 F N2 O4 -","- C96 H84 F4 N8 O16 -","4","1","","Zhang, Jingming; Liu, Chengkou; Qiao, Yaqi; Wei, Minghui; Guan, Wenjing; Mao, Ziren; Qin, Hong; Fang, Zheng; Guo, Kai","Intramolecular trapping of spiro radicals to produce unusual cyclization products from usual migration substrates","Chemical Science","2023","14","9","2461","2466","10.1039/D2SC05768A","","","1.34139","GaKα","","0.0676","0.049","","","0.1247","0.1382","","","","","","1.057","","","","has coordinates","281392","2023-03-04","18:02:33",""
"1568405","10.53468","0.00011","6.40021","0.00007","13.58053","0.00014","90","","106.401","0.0011","90","","878.396","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O3 S2 -","- C18 H18 N2 O3 S2 -","- C36 H36 N4 O6 S4 -","2","1","","Ma, Zhaoming; Sun, Lantian; Zhou, Jianrong Steve","Catalytic enantioselective alkenylation-heteroarylation of olefins: stereoselective syntheses of 5-7 membered azacycles and oxacycles.","Chemical science","2023","14","11","3010","3017","10.1039/d2sc07117g","","x-ray","1.54184","CuKα","","0.0252","0.0251","","","0.0684","0.0686","","","","","","1.054","","","","has coordinates,has disorder","282298","2023-04-04","10:02:12",""
"1568406","6.2789","0.0008","21.884","0.002","7.7197","0.0009","90","","111.31","0.004","90","","988.22","0.19","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 As Cl F11 N -","- C5 As Cl F11 N -","- C20 As4 Cl4 F44 N4 -","4","1","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0548","0.0425","","","0.0957","0.0991","","","","","","1.095","","","","has coordinates","281384","2023-03-04","18:01:13",""
"1568407","13.9435","0.0006","6.5593","0.0003","7.0669","0.0004","90","","90","","90","","646.34","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5 H5 Cl2 N -","- C5 H5 Cl2 N -","- C20 H20 Cl8 N4 -","4","0.5","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0322","0.0257","","","0.0589","0.0641","","","","","","1.054","","","","has coordinates","281384","2023-03-04","18:01:13",""
"1568408","15.093","0.009","14.455","0.007","15.759","0.008","90","","108.451","0.018","90","","3261","3","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H30 B2 Cl2 F8 N6 -","- C26 H30 B2 Cl2 F8 N6 -","- C104 H120 B8 Cl8 F32 N24 -","4","1","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0583","0.0524","","","0.1276","0.1295","","","","","","1.143","","","","has coordinates","281384","2023-03-04","18:01:13",""
"1568409","8.3507","0.001","6.7026","0.0006","15.1667","0.0017","90","","104.077","0.005","90","","823.41","0.15","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 Cl4 N2 -","- C14 H18 Cl4 N2 -","- C28 H36 Cl8 N4 -","2","0.5","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0287","0.025","","","0.0662","0.068","","","","","","1.059","","","","has coordinates,has disorder","281384","2023-03-04","18:01:13",""
"1568410","13.6718","0.0018","15.798","0.002","15.142","0.002","90","","90","","90","","3270.5","0.7","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H30 Ag B2 F8 N6 -","- C26 H30 Ag B2 F8 N6 -","- C104 H120 Ag4 B8 F32 N24 -","4","0.5","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0589","0.0539","","","0.1249","0.1274","","","","","","1.247","","","","has coordinates,has disorder","281384","2023-03-04","18:01:13",""
"1568411","5.3882","0.0007","15.2962","0.0017","7.9427","0.001","90","","105.459","0.004","90","","630.95","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- As Cl2 F7 -","- As Cl2 F7 -","- As4 Cl8 F28 -","4","1","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0244","0.0243","","","0.0628","0.0629","","","","","","1.221","","","","has coordinates","281384","2023-03-04","18:01:13",""
"1568412","12.1157","0.0005","6.2539","0.0003","14.6","0.0006","90","","109.833","0.002","90","","1040.63","0.08","298","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Selenanthren","","- C12 H8 Se2 -","- C12 H8 Se2 -","- C48 H32 Se8 -","4","1","","Yang, Zhiqiang; Fu, Zhiyuan; Liu, Haichao; Wu, Min; Li, Nan; Wang, Kai; Zhang, Shi-Tong; Zou, Bo; Yang, Bing","Pressure-induced room-temperature phosphorescence enhancement based on purely organic molecules with a folded geometry.","Chemical science","2023","14","10","2640","2645","10.1039/d3sc00172e","","","0.71073","MoKα","","0.0253","0.0203","","","0.0456","0.0473","","","","","","1.051","","","","has coordinates","282284","2023-04-04","09:54:51",""
"1568413","41.4191","0.0017","6.5104","0.0003","14.0699","0.0006","90","","98.7","0.003","90","","3750.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-nitrobenzyl)-4-(perfluorophenyl)isochromane","","- C22 H14 F5 N O3 -","- C22 H14 F5 N O3 -","- C176 H112 F40 N8 O24 -","8","2","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","1.54178","CuKα","","0.1074","0.0826","","","0.2203","0.243","","","","","","1.032","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568414","7.9798","0.0004","10.8805","0.0005","8.421","0.0004","90","","117.053","0.002","90","","651.15","0.06","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","0.71073","MoKα","","0.0317","0.0306","","","0.0803","0.0819","","","","","","1.063","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568415","7.9718","0.0003","9.2217","0.0003","11.1636","0.0004","100.875","0.001","90.02","0.001","110.526","0.001","752.8","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(4-nitrobenzyl)-3a,4,5,6-tetrahydro-1H,3H-benzo[de]isochromene","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","0.71073","MoKα","","0.0417","0.0387","","","0.1058","0.1088","","","","","","1.066","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568416","8.6103","0.0007","7.9713","0.0005","27.483","0.002","90","","91.244","0.003","90","","1885.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(3,5-bis(trifluoromethyl)benzyl)-6,7-dimethoxyisochromane","","- C20 H18 F6 O3 -","- C20 H18 F6 O3 -","- C80 H72 F24 O12 -","4","1","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","0.71073","MoKα","","0.0511","0.0441","","","0.115","0.1214","","","","","","1.055","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568417","21.23","0.013","28.36","0.016","16.32","0.01","90","","105.11","0.007","90","","9486","10","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C105 H121 N9 Ni2 O10 -","- C105 H117 N9 Ni2 O10 -","- C420 H468 N36 Ni8 O40 -","4","1","","Yamashita, Ken-Ichi; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Structurally well-defined conjugated meso-aminoporphyrin oligomers analogous to polyanilines.","Chemical science","2023","14","10","2735","2744","10.1039/d2sc06387e","","","0.71073","MoKα","","0.1819","0.1137","","","0.2902","0.352","","","","","","1.064","","","","has coordinates,has disorder","282280","2023-04-04","09:53:47",""
"1568418","23.1585","0.0007","9.2604","0.0003","23.5718","0.0007","90","","114.448","0.002","90","","4601.9","0.3","170","2","170.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H70 Fe N4 -","- C51 H70 Fe N4 -","- C204 H280 Fe4 N16 -","4","0.5","","Xiong, Jin; Liu, Qing; Lavina, Barbara; Hu, Michael Y.; Zhao, Jiyong; Alp, Esen E.; Deng, Liang; Ye, Shengfa; Guo, Yisong","Spin polarization assisted facile C-H activation by an S = 1 iron(iv)-bisimido complex: a comprehensive spectroscopic and theoretical investigation.","Chemical science","2023","14","11","2808","2820","10.1039/d2sc06273a","","","1.34139","GaKα","","0.0487","0.043","","","0.1169","0.1222","","","","","","1.093","","","","has coordinates","282299","2023-04-04","10:02:30",""
"1568419","14.5261","0.0017","4.3104","0.0005","20.361","0.002","90","","102.088","0.005","90","","1246.6","0.2","300.91","","300.91","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C52 H40 Cl8 N8 O4 -","4","1","","Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Silbernagl, Dorothee; Yasuda, Nobuhiro; Feiler, Torvid; Sturm, Heinz; Emmerling, Franziska","An atomistic mechanism for elasto-plastic bending in molecular crystals.","Chemical science","2023","14","13","3441","3450","10.1039/d2sc06470g","","","0.71073","MoKα","","0.0605","0.0392","","","0.1197","0.1443","","","","","","1.02","","","","has coordinates","282286","2023-04-04","09:55:56",""
"1568420","14.3805","0.0011","4.2807","0.0003","20.0178","0.0016","90","","101.319","0.003","90","","1208.3","0.16","100.91","","100.91","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C52 H40 Cl8 N8 O4 -","4","1","","Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Silbernagl, Dorothee; Yasuda, Nobuhiro; Feiler, Torvid; Sturm, Heinz; Emmerling, Franziska","An atomistic mechanism for elasto-plastic bending in molecular crystals.","Chemical science","2023","14","13","3441","3450","10.1039/d2sc06470g","","","0.71073","MoKα","","0.056","0.0512","","","0.1339","0.147","","","","","","1.112","","","","has coordinates","282286","2023-04-04","09:56:07",""
"1568421","9.9368","0.0002","17.0962","0.0003","17.1478","0.0003","90","","90","","90","","2913.09","0.09","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl3 N3 O5 -","- C31 H26 Cl3 N3 O5 -","- C124 H104 Cl12 N12 O20 -","4","1","","Chen, Pengquan; Lv, Mei-Jun; Cheng, Jun Kee; Xiang, Shao-Hua; Ren, Xiang-Zhong; Zhang, Junmin; Tan, Bin","Enantioselective construction of triaryl-substituted all-carbon quaternary stereocenters via organocatalytic arylation of oxindoles with azonaphthalenes","Chemical Science","2023","14","9","2330","2335","10.1039/D2SC07103G","","x-ray","1.54178","CuKα","","0.0187","0.0184","","","0.0464","0.0465","","","","","","1.056","","","","has coordinates","281391","2023-03-04","18:02:23",""
"1568422","7.4828","0.0003","18.3087","0.0007","18.4701","0.0007","90","","90","","90","","2530.41","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N3 O2 S -","- C27 H24 F3 N3 O2 S -","- C108 H96 F12 N12 O8 S4 -","4","1","","Nilova, Aleksandra; Mannchen, Michael D.; Noel, Abdias N.; Semenova, Evgeniya; Grenning, Alexander J.","Vicinal stereocenters via asymmetric allylic alkylation and Cope rearrangement: a straightforward route to functionally and stereochemically rich heterocycles.","Chemical science","2023","14","10","2755","2762","10.1039/d2sc07021a","","","0.71073","MoKα","","0.0491","0.037","","","0.1009","0.1096","","","","","","1.043","","","","has coordinates,has disorder","282283","2023-04-04","09:54:41",""
"1568423","11.1508","0.0004","6.3344","0.0002","15.0399","0.0005","90","","99.417","0.001","90","","1048.01","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O4 S -","- C23 H24 Cl N O4 S -","- C46 H48 Cl2 N2 O8 S2 -","2","1","","Nilova, Aleksandra; Mannchen, Michael D.; Noel, Abdias N.; Semenova, Evgeniya; Grenning, Alexander J.","Vicinal stereocenters via asymmetric allylic alkylation and Cope rearrangement: a straightforward route to functionally and stereochemically rich heterocycles.","Chemical science","2023","14","10","2755","2762","10.1039/d2sc07021a","","","0.71073","MoKα","","0.0426","0.0345","","","0.0818","0.0849","","","","","","1.074","","","","has coordinates","282283","2023-04-04","09:54:43",""
"1568424","9.0235","0.0003","10.1775","0.0004","11.8976","0.0005","81.443","0.002","73.982","0.002","76.298","0.002","1016.25","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 O4 Pd S2 -","- C20 H22 O4 Pd S2 -","- C40 H44 O8 Pd2 S4 -","2","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0347","0.0265","","","0.0915","0.1067","","","","","","0.883","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568425","10.1765","0.0004","28.3513","0.0011","9.7423","0.0004","90","","106.951","0.001","90","","2688.7","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 O4 P Pd S -","- C30 H29 O4 P Pd S -","- C120 H116 O16 P4 Pd4 S4 -","4","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0585","0.044","","","0.0808","0.0852","","","","","","1.149","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568426","9.7129","0.0004","11.885","0.0004","24.9669","0.0009","90","","90","","90","","2882.12","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 O2 P Pd S -","- C34 H31 O2 P Pd S -","- C136 H124 O8 P4 Pd4 S4 -","4","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0173","0.0163","","","0.0389","0.0392","","","","","","1.086","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568427","9.6976","0.0005","11.8942","0.0007","24.9749","0.0015","90","","90","","90","","2880.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 O2 P Pd S -","- C34 H31 O2 P Pd S -","- C136 H124 O8 P4 Pd4 S4 -","4","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0164","0.0155","","","0.038","0.0385","","","","","","1.085","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568428","16.0038","0.0001","13.5032","0.0001","25.4153","0.0001","90","","97.519","0.001","90","","5445.08","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H83 Al N4 Si2 -","- C57 H83 Al N4 Si2 -","- C228 H332 Al4 N16 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0452","0.0395","","","0.1056","0.1104","","","","","","1.012","","","","has coordinates","282290","2023-04-04","09:59:14",""
"1568429","21.4197","0.0001","13.5245","0.0001","19.6839","0.0001","90","","103.151","0.001","90","","5552.7","0.06","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H88 Al Cu N4 Si2 -","- C53 H88 Al Cu N4 Si2 -","- C212 H352 Al4 Cu4 N16 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0278","0.0273","","","0.0729","0.0734","","","","","","1.023","","","","has coordinates,has disorder","282290","2023-04-04","09:59:17",""
"1568430","12.225","0.0002","12.4368","0.0002","27.9562","0.0004","81.885","0.001","86.337","0.001","74.292","0.002","4049.28","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H122 Al Cu N4 Si2 -","- C86 H122 Al Cu N4 Si2 -","- C172 H244 Al2 Cu2 N8 Si4 -","2","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0413","0.0358","","","0.0904","0.0947","","","","","","1.025","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568431","15.0696","0.0004","16.5798","0.0005","20.4317","0.0004","90","","91.457","0.002","90","","5103.2","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H80 Al Cu N4 Si3 -","- C46 H80 Al Cu N4 Si3 -","- C184 H320 Al4 Cu4 N16 Si12 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.071","0.048","","","0.1087","0.1207","","","","","","1.018","","","","has coordinates,has disorder","282290","2023-04-04","09:59:18",""
"1568432","16.2074","0.0003","12.7848","0.0002","24.4265","0.0005","90","","100.576","0.002","90","","4975.39","0.16","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C188 H320 Al4 Cu4 N16 Si8 -","- C188 H320 Al4 Cu4 N16 Si8 -","- C188 H320 Al4 Cu4 N16 Si8 -","1","0.25","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","0.71073","MoKα","","0.0537","0.0368","","","0.0853","0.0928","","","","","","1.03","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568433","15.0236","0.0001","21.9618","0.0001","21.1294","0.0002","90","","90","","90","","6971.55","0.09","150","0.1","150","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C75 H104 Al Cu N4 Si2 -","- C75 H104 Al Cu N4 Si2 -","- C300 H416 Al4 Cu4 N16 Si8 -","4","0.5","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0424","0.0351","","","0.0917","0.0965","","","","","","1.024","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568434","13.2732","0.0002","17.1411","0.0003","34.2337","0.0006","97.978","0.001","98.341","0.001","96.908","0.002","7553","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C160 H220 Al2 Cu4 N6 Si4 -","- C160 H220 Al2 Cu4 N6 Si4 -","- C320 H440 Al4 Cu8 N12 Si8 -","2","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","0.71073","MoKα","","0.0612","0.0425","","","0.0943","0.1016","","","","","","1.05","","","","has coordinates,has disorder","282290","2023-04-04","09:59:18",""
"1568435","20.8885","0.0002","13.8728","0.0001","19.6118","0.0002","90","","101.347","0.001","90","","5572.06","0.09","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C57 H80 Al Cu N4 Si2 -","- C57 H80 Al Cu N4 Si2 -","- C228 H320 Al4 Cu4 N16 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.039","0.0371","","","0.0903","0.0921","","","","","","1.031","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568436","12.40965","0.00005","23.21981","0.0001","25.09012","0.00011","90","","92.1704","0.0004","90","","7224.52","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H112 Al Cu N6 Si2 -","- C74 H112 Al Cu N6 Si2 -","- C296 H448 Al4 Cu4 N24 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0346","0.031","","","0.0829","0.0857","","","","","","1.031","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568437","13.5126","0.0001","23.3252","0.0001","23.6673","0.0002","90","","105.075","0.001","90","","7202.84","0.09","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H114 Al Cu N6 Si2 -","- C74 H114 Al Cu N6 Si2 -","- C296 H456 Al4 Cu4 N24 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0495","0.0432","","","0.1129","0.1185","","","","","","1.022","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568438","12.6138","0.0003","20.7585","0.0004","22.1325","0.0004","90","","93.689","0.002","90","","5783.2","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H88 Al Cu N4 Si4 -","- C51 H88 Al Cu N4 Si4 -","- C204 H352 Al4 Cu4 N16 Si16 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","0.71073","MoKα","","0.0509","0.0348","","","0.0844","0.092","","","","","","1.039","","","","has coordinates,has disorder","282290","2023-04-04","09:59:18",""
"1568439","10.1214","0.0002","22.1032","0.0005","16.8012","0.0004","90","","106.045","0.001","90","","3612.27","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Ga P -","- C40 H52 Ga P -","- C160 H208 Ga4 P4 -","4","1","","Taeufer, T.; Dankert, F.; Michalik, D.; Pospech, J.; Bresien, J.; Hering-Junghans, C","Photochemical formation and reversible base-induced cleavage of a phosphagallene.","Chemical science","2023","14","11","3018","3023","10.1039/d2sc06292e","","","1.54178","CuKα","","0.0416","0.0344","","","0.0847","0.0902","","","","","","1.028","","","","has coordinates","282291","2023-04-04","09:59:50",""
"1568440","10.6093","0.0002","12.7651","0.0002","20.7583","0.0003","80.862","0.001","81.858","0.001","65.926","0.001","2524.94","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H64 Ga P -","- C46 H64 Ga P -","- C92 H128 Ga2 P2 -","2","1","","Taeufer, T.; Dankert, F.; Michalik, D.; Pospech, J.; Bresien, J.; Hering-Junghans, C","Photochemical formation and reversible base-induced cleavage of a phosphagallene.","Chemical science","2023","14","11","3018","3023","10.1039/d2sc06292e","","","1.54178","CuKα","","0.0424","0.0391","","","0.1078","0.1109","","","","","","1.041","","","","has coordinates,has disorder","282291","2023-04-04","09:59:53",""
"1568441","11.9426","0.001","18.1472","0.0016","12.6846","0.001","90","","98.094","0.003","90","","2721.7","0.4","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 O P -","- C31 H37 O P -","- C124 H148 O4 P4 -","4","1","","Taeufer, T.; Dankert, F.; Michalik, D.; Pospech, J.; Bresien, J.; Hering-Junghans, C","Photochemical formation and reversible base-induced cleavage of a phosphagallene.","Chemical science","2023","14","11","3018","3023","10.1039/d2sc06292e","","","1.54178","CuKα","","0.0357","0.0342","","","0.0893","0.0908","","","","","","1.039","","","","has coordinates","282291","2023-04-04","10:00:03",""
"1568442","9.4139","0.0004","9.7021","0.0004","10.4201","0.0004","63.457","0.001","80.694","0.002","85.381","0.001","840.16","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Br N P -","- C19 H19 Br N P -","- C38 H38 Br2 N2 P2 -","2","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP+ ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.1153","0.0496","","","0.0857","0.1048","","","","","","1.016","","","","has coordinates","283188","2023-05-05","01:12:47",""
"1568443","10.6424","0.0012","12.4166","0.0015","14.4706","0.0017","90","","93.167","0.004","90","","1909.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br P -","- C21 H22 Br P -","- C84 H88 Br4 P4 -","4","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP+ ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.1175","0.0504","","","0.0727","0.0874","","","","","","0.998","","","","has coordinates","283188","2023-05-05","01:12:47",""
"1568444","13.9907","0.0003","14.6428","0.0004","21.7567","0.0006","90","","90","","90","","4457.1","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H29 Br N O P -","- C23 H29 Br N O P -","- C184 H232 Br8 N8 O8 P8 -","8","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP+ ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.0807","0.0425","","","0.0821","0.0954","","","","","","1.036","","","","has coordinates","283188","2023-05-05","01:12:47",""
"1568445","10.3306","0.0009","10.6126","0.0009","13.3397","0.0011","82.341","0.003","72.934","0.003","82.482","0.003","1379.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30.5 Br N O0.25 P2 -","- C32 H30.5 Br N O0.25 P2 -","- C64 H61 Br2 N2 O0.5 P4 -","2","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP+ ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.1151","0.0528","","","0.1044","0.1276","","","","","","1.017","","","","has coordinates","283188","2023-05-05","01:12:47",""
"1568446","8.3434","0.0002","9.5869","0.0003","25.257","0.0006","90","","90","","90","","2020.24","0.09","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Liu, Xin-Lian; Lin, Han-Ze; Tan, Lu-Qi; Peng, Jin-Bao","Palladium- and Brønsted acid-catalyzed enantio-, site- and E/Z-selective addition of alkylidenecyclopropanes with imines","Chemical Science","2023","14","9","2348","2352","10.1039/D2SC05674G","","x-ray","1.54184","CuKα","","0.0387","0.0376","","","0.0931","0.0937","","","","","","1.071","","","","has coordinates","281386","2023-03-04","18:01:40",""
"1568447","11.1005","0.0004","11.3249","0.0004","18.9146","0.0004","103.931","0.002","93.575","0.002","116.835","0.004","2018.76","0.14","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 Fe2 N4 -","- C44 H56 Fe2 N4 -","- C88 H112 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","1.54184","CuKα","","0.0909","0.0708","","","0.2625","0.2948","","","","","","1.031","","","","has coordinates","281385","2023-03-04","18:01:32",""
"1568448","11.9085","0.0004","11.0443","0.0004","17.499","0.0007","90","","94.175","0.002","90","","2295.38","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H64 Fe2 N4 -","- C51 H64 Fe2 N4 -","- C102 H128 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","0.7749","Synchrotron","","0.0338","0.0291","","","0.0658","0.0678","","","","","","1.04","","","","has coordinates","281385","2023-03-04","18:01:32",""
"1568449","11.8009","0.0005","10.9639","0.0004","17.4087","0.0007","90","","94.329","0.004","90","","2245.98","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H62.15 D1.85 Fe2 N4 -","- C51 H62.15 D1.85 Fe2 N4 -","- C102 H124.3 D3.7 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","0.6","neutrons","","0.0689","0.0642","","","0.1228","0.1261","","","","","","1.042","","","","has coordinates,has disorder","281385","2023-03-04","18:01:32",""
"1568450","11.8026","0.0003","10.9628","0.0003","17.4178","0.0005","90","","94.36","0.003","90","","2247.16","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H64 Fe2 N4 -","- C51 H64 Fe2 N4 -","- C102 H128 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","0.6","neutrons","","0.0633","0.0568","","","0.1134","0.1175","","","","","","1.025","","","","has coordinates","281385","2023-03-04","18:01:32",""
"1568451","9.1643","0.0007","9.1814","0.0007","10.4783","0.0009","90","","115.381","0.006","90","","796.56","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-hydroxy-2-methyl-1H-quinazolin-4-one","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C36 H32 N8 O8 -","4","1","","Koleda, Olesja; Prenzel, Tobias; Winter, Johannes; Hirohata, Tomoki; de Jesús Gálvez-Vázquez, María; Schollmeyer, Dieter; Inagi, Shinsuke; Suna, Edgars; Waldvogel, Siegfried R.","Simple and scalable electrosynthesis of 1H-1-hydroxy-quinazolin-4-ones","Chemical Science","2023","14","10","2669","2675","10.1039/D3SC00266G","","","0.71073","MoKα","","0.0961","0.0645","","","0.1532","0.1769","","","","","","1.123","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568452","9.3198","0.0003","11.1833","0.0004","26.6506","0.0007","90","","99.812","0.001","90","","2737.06","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 N2 O -","- C35 H34 N2 O -","- C140 H136 N8 O4 -","4","1","","Tan, Guangying; Paulus, Fritz; Petti, Alessia; Wiethoff, Maxim-Aleksa; Lauer, Anna; Daniliuc, Constantin; Glorius, Frank","Metal-free photosensitized radical relay 1,4-carboimination across two distinct olefins","Chemical Science","2023","14","9","2447","2454","10.1039/D2SC06497A","","single crystal","0.71073","MoKα","","0.057","0.0423","","","0.0926","0.1006","","","","","","1.059","","","","has coordinates","281388","2023-03-04","18:01:57",""
"1568453","9.1685","0.0004","7.7161","0.0003","16.7661","0.0006","90","","99.439","0.004","90","","1170.06","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H2 F3 I3 N -","- C8 H2 F3 I3 N -","- C32 H8 F12 I12 N4 -","4","1","","Kumar, Lavanya; Leko, Katarina; Nemec, Vinko; Trzybiński, Damian; Bregović, Nikola; Cinčić, Dominik; Arhangelskis, Mihails","Computational evaluation of halogen-bonded cocrystals enables prediction of their mechanochemical interconversion reactions","Chemical Science","2023","14","12","3140","3146","10.1039/D2SC06770F","","x-ray","0.71073","MoKα","","0.0484","0.0463","","","0.1135","0.1156","","","","","","1.159","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568454","14.3154","0.0003","26.4615","0.0006","6.2605","0.0002","90","","90","","90","","2371.52","0.11","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C25 H28 B F4 N O2 -","- C25 H28 B F4 N O2 -","- C100 H112 B4 F16 N4 O8 -","4","1","","Wu, Fu-Peng; Gu, Xing-Wei; Geng, Hui-Qing; Wu, Xiao-Feng","Copper-catalyzed defluorinative arylboration of vinylarenes with polyfluoroarenes","Chemical Science","2023","14","9","2342","2347","10.1039/D2SC06472C","","","1.54178","CuKα","","0.0399","0.0395","","","0.1032","0.1038","","","","","","1.066","","","","has coordinates,has disorder","281387","2023-03-04","18:01:48",""
"1568455","8.6133","0.0004","14.6051","0.0006","15.5136","0.0008","62.663","0.002","79.227","0.002","82.934","0.002","1701.53","0.14","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C33 H26 Au F7 N3 O4 P S2 -","- C33 H26 Au F7 N3 O4 P S2 -","- C66 H52 Au2 F14 N6 O8 P2 S4 -","2","1","","Dhara, Ayan; Fadler, Rachel E.; Chen, Yusheng; Köttner, Laura A; Van Craen, David; Carta, Veronica; Flood, Amar H.","Orthogonal, modular anion-cation and cation-anion self-assembly using pre-programmed anion binding sites.","Chemical science","2023","14","10","2585","2595","10.1039/d2sc05121d","","","0.71073","MoKα","","0.0229","0.0213","","","0.0506","0.0514","","","","","","1.03","","","","has coordinates,has disorder","283150","2023-05-05","00:54:22",""
"1568476","9.8279","0.0007","9.8279","0.0007","8.0179","0.0009","90","","90","","120","","670.68","0.1","100","2","99.97","0.12","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- C36 H30 B P -","- C36 H30 B P -","- C36 H30 B P -","1","0.0833333","","Zapf, Ludwig; Riethmann, Melanie; Föhrenbacher, Steffen A.; Finze, Maik; Radius, Udo","An easy-to-perform evaluation of steric properties of Lewis acids","Chemical Science","2023","14","9","2275","2288","10.1039/D3SC00037K","","x-ray","1.54184","CuKα","","0.0693","0.0536","","","0.1434","0.1562","","","","","","1.107","","","","has coordinates,has disorder","281389","2023-03-04","18:02:05",""
"1568477","10.4114","0.0014","8.5418","0.0011","17.017","0.002","90","","92.924","0.004","90","","1511.4","0.3","150","0.1","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N5 Pd -","- C17 H15 N5 Pd -","- C68 H60 N20 Pd4 -","4","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71069","MoKα","","0.0451","0.0274","","","0.0621","0.0682","","","","","","1.026","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568478","14.758","0.004","17.469","0.005","20.212","0.006","101.902","0.007","102.431","0.007","113.691","0.007","4403","2","149.99","","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C98 H138 N10 O6 Pd2 Yb2 -","- C82 H106 N10 O2 Pd2 Yb2 -","- C164 H212 N20 O4 Pd4 Yb4 -","2","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71073","MoKα","","0.153","0.0674","","","0.1502","0.1898","","","","","","0.999","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568479","14.7945","0.0004","34.6792","0.0012","17.851","0.0005","90","","111.427","0.002","90","","8525.6","0.5","149.99","","149.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C95 H114 N10 Pd2 Yb2 -","- C95 H114 N10 Pd2 Yb2 -","- C380 H456 N40 Pd8 Yb8 -","4","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71073","MoKα","","0.0902","0.0515","","","0.1148","0.1371","","","","","","1.02","","","","has coordinates,has disorder","282621","2023-04-13","12:20:30",""
"1568480","8.508","0.0009","16.1094","0.0016","21.445","0.002","90","","91.493","0.002","90","","2938.2","0.5","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H51 Pd Yb -","- C32 H51 Pd Yb -","- C128 H204 Pd4 Yb4 -","4","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71073","MoKα","","0.0386","0.0275","","","0.0588","0.0645","","","","","","1.106","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568481","15.7166","0.0004","13.6208","0.0003","26.5397","0.0006","90","","91.637","0.001","90","","5679.1","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H84 N2 Pd Yb2 -","- C64 H84 N2 Pd Yb2 -","- C256 H336 N8 Pd4 Yb8 -","4","0.5","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71069","MoKα","","0.0324","0.0294","","","0.0709","0.0725","","","","","","1.076","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568482","15.7006","0.0011","13.8198","0.0008","26.6978","0.0017","90","","91.602","0.003","90","","5790.6","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H84 N2 Pd Sm2 -","- C64 H84 N2 Pd Sm2 -","- C256 H336 N8 Pd4 Sm8 -","4","0.5","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71069","MoKα","","0.0594","0.0378","","","0.0685","0.0739","","","","","","0.891","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568485","16.1038","0.0017","24.54","0.003","26.56","0.002","90","","95.069","0.004","90","","10455.1","1.9","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C124 H102 O2 -","- C124 H102 O2 -","- C496 H408 O8 -","4","0.5","","Li, Shengtao; Li, Ranran; Zhang, Yi-Kang; Wang, Shutao; Ma, Bin; Zhang, Bin; An, Peng","BINOL-like atropisomeric chiral nanographene.","Chemical science","2023","14","12","3286","3292","10.1039/d2sc06244e","","","0.71073","MoKα","","0.1946","0.1053","","","0.3087","0.3512","","","","","","1.045","","","","has coordinates","282303","2023-04-04","10:04:12",""
"1568486","22.0386","0.0015","13.2446","0.0003","11.5475","0.0008","90","","137.586","0.013","90","","2273.4","0.6","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H31 N O6 -","- C24 H31 N O6 -","- C96 H124 N4 O24 -","4","1","","Li, Longbo; Matsuo, Bianca; Levitre, Guillaume; McClain, Edward J.; Voight, Eric A.; Crane, Erika A.; Molander, Gary A.","Dearomative intermolecular [2 + 2] photocycloaddition for construction of C(sp3)-rich heterospirocycles on-DNA.","Chemical science","2023","14","10","2713","2720","10.1039/d3sc00144j","","x-ray","1.54184","CuKα","","0.0415","0.0392","","","0.1042","0.1069","","","","","","1.079","","","","has coordinates","282282","2023-04-04","09:54:25",""
"1568487","11.6897","0.0006","8.7462","0.0004","27.9426","0.0014","90","","97.984","0.003","90","","2829.2","0.2","297","2","297","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H25 Cl N4 O3 S -","- C31 H25 Cl N4 O3 S -","- C124 H100 Cl4 N16 O12 S4 -","4","2","","Li, Kuan; Zhen, Shuo; Wang, Wang; Du, Juan; Yu, Songcheng; Wu, Yongjun; Guo, Hongchao","Fungicide-inspired precursors of π-allylpalladium intermediates for palladium-catalyzed decarboxylative cycloadditions.","Chemical science","2023","14","11","3024","3029","10.1039/d3sc00112a","","","1.54178","CuKα","","0.0606","0.0455","","","0.1071","0.1176","","","","","","1.096","","","","has coordinates","282289","2023-04-04","09:57:27",""
"1568488","8.30066","0.00014","8.18447","0.00013","16.4485","0.0003","90","","104.387","0.0018","90","","1082.41","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C54 H42 N6 O4 -","2","1","","Li, Kuan; Zhen, Shuo; Wang, Wang; Du, Juan; Yu, Songcheng; Wu, Yongjun; Guo, Hongchao","Fungicide-inspired precursors of π-allylpalladium intermediates for palladium-catalyzed decarboxylative cycloadditions.","Chemical science","2023","14","11","3024","3029","10.1039/d3sc00112a","","x-ray","1.54184","CuKα","","0.0338","0.0327","","","0.0857","0.0865","","","","","","1.09","","","","has coordinates","282289","2023-04-04","09:57:32",""
"1568489","9.7606","0.0001","10.331","0.0001","21.9651","0.0003","90","","90","","90","","2214.89","0.04","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N3 O2 -","- C27 H25 N3 O2 -","- C108 H100 N12 O8 -","4","1","","Li, Kuan; Zhen, Shuo; Wang, Wang; Du, Juan; Yu, Songcheng; Wu, Yongjun; Guo, Hongchao","Fungicide-inspired precursors of π-allylpalladium intermediates for palladium-catalyzed decarboxylative cycloadditions.","Chemical science","2023","14","11","3024","3029","10.1039/d3sc00112a","","x-ray","1.54184","CuKα","","0.0344","0.0309","","","0.0739","0.0755","","","","","","1.04","","","","has coordinates","282289","2023-04-04","09:57:37",""
"1568490","12.7468","0.0003","13.2446","0.0003","5.6541","0.0001","90","","95.839","0.0016","90","","949.61","0.04","2","","2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0348","0.0331","","","0.0796","0.0805","","","","2.5","2.5","2.49","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568491","12.8159","0.0003","13.3648","0.0003","5.6774","0.0001","90","","95.999","0.002","90","","967.11","0.04","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","","1.54184","CuKα","","0.0633","0.0628","","","0.1584","0.1601","","","","","","1.052","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568492","12.5261","0.0005","13.0853","0.001","5.5409","0.0017","90","","96.56","0.006","90","","902.3","0.3","15","","15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium nickel trithiocyanate","","- C6 Cs2 N6 Ni2 S6 -","- C6 Cs2 N6 Ni2 S6 -","- C12 Cs4 N12 Ni4 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.45678","neutron","","0.1483","0.1139","","","0.1172","0.1193","","","","4.55","4.55","3.72","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568493","12.7661","0.0003","13.2731","0.0004","5.6588","0.0002","90","","95.9037","0.0017","90","","953.77","0.05","50","","50","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0355","0.0347","","","0.0838","0.0848","","","","1.96","1.96","1.96","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568494","12.8136","0.0005","13.4916","0.0007","5.6692","0.0002","90","","96.346","0.002","90","","974.06","0.07","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0427","0.0386","","","0.0726","0.0761","","","","1.71","1.71","1.7","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568495","12.6103","0.0001","13.2395","0.0002","5.5786","0.0001","90","","96.445","0.001","90","","925.48","0.02","119.99","0.19","119.99","0.19","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium cobalt trithiocyanate","","- C6 Co2 Cs2 N6 S6 -","- C6 Co2 Cs2 N6 S6 -","- C12 Co4 Cs4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","","1.54184","CuKα","","0.0192","0.0187","","","0.0476","0.0479","","","","","","1.043","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568496","12.7463","0.0003","13.2447","0.0003","5.654","0.0001","90","","95.8382","0.0016","90","","949.56","0.04","13","","13","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0351","0.035","","","0.0967","0.0968","","","","3.61","3.61","3.6","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568497","12.7469","0.0003","13.2457","0.0003","5.6542","0.0001","90","","95.8446","0.0016","90","","949.7","0.04","20","","20","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0367","0.0365","","","0.1081","0.1084","","","","2.97","2.97","2.97","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568498","27.4526","0.0015","6.8462","0.0004","18.7535","0.0012","90","","90","","90","","3524.6","0.4","184","2","184","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C33 H33 N3 O -","- C33 H34 N3 O -","- C132 H136 N12 O4 -","4","0.5","","Miao, Fang; Ji, Yu; Han, Bo; Quintero, Sergio Moles; Chen, Hanjiao; Xue, Guodong; Cai, Lulu; Casado, Juan; Zheng, Yonghao","Asymmetric and zwitterionic Blatter diradicals.","Chemical science","2023","14","10","2698","2705","10.1039/d3sc00367a","","","1.54178","CuKα","","0.0795","0.0558","","","0.1653","0.1828","","","","","","1.069","","","","has coordinates","282278","2023-04-04","09:53:01",""
"1568499","15.527","0.003","10.1852","0.0018","18.02","0.003","90","","108.352","0.007","90","","2704.8","0.8","184","2","184","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N3 O -","- C33 H33 N3 O -","- C132 H132 N12 O4 -","4","1","","Miao, Fang; Ji, Yu; Han, Bo; Quintero, Sergio Moles; Chen, Hanjiao; Xue, Guodong; Cai, Lulu; Casado, Juan; Zheng, Yonghao","Asymmetric and zwitterionic Blatter diradicals.","Chemical science","2023","14","10","2698","2705","10.1039/d3sc00367a","","","1.54178","CuKα","","0.0693","0.0487","","","0.1076","0.1212","","","","","","1.045","","","","has coordinates","282278","2023-04-04","09:53:01",""
"1568500","8.0803","0.0008","17.2484","0.0018","16.5592","0.0014","90","","90.883","0.004","90","","2307.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N O4 S2 -","- C25 H22 N O4 S2 -","- C100 H88 N4 O16 S8 -","4","1","","Zhang, Yan; Cai, Zhenzhi; Zhao, Chunhang; Zheng, Hanliang; Ackermann, Lutz","Electrosynthesis of bridged or fused sulfonamides through complex radical cascade reactions: divergence in medium-sized ring formation.","Chemical science","2023","14","13","3541","3547","10.1039/d2sc07045f","","","0.71073","MoKα","","0.114","0.072","","","0.1858","0.2432","","","","","","1.159","","","","has coordinates","282288","2023-04-04","09:56:43",""
"1568501","23.4887","0.0017","5.6869","0.0004","14.3647","0.001","90","","107.81","","90","","1826.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O4 S2 -","- C19 H19 N O4 S2 -","- C76 H76 N4 O16 S8 -","4","1","","Zhang, Yan; Cai, Zhenzhi; Zhao, Chunhang; Zheng, Hanliang; Ackermann, Lutz","Electrosynthesis of bridged or fused sulfonamides through complex radical cascade reactions: divergence in medium-sized ring formation.","Chemical science","2023","14","13","3541","3547","10.1039/d2sc07045f","","","0.71073","MoKα","","0.1097","0.0601","","","0.1327","0.1595","","","","","","1.008","","","","has coordinates","282288","2023-04-04","09:56:44",""
"1568503","13.2016","0.0016","27.457","0.004","18.236","0.002","90","","105.503","0.013","90","","6369.6","1.5","120","2","393.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.25 H45.25 N14.75 O22.75 V6 Zn -","- C39.25 H45.25 N14.75 O22.75 V6 Zn -","- C157 H181 N59 O91 V24 Zn4 -","4","1","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","","0.71073","MoKα","","0.2169","0.1233","","","0.2764","0.3306","","","","","","0.992","","","","has coordinates","283189","2023-05-05","01:13:12",""
"1568504","9.8603","0.0003","12.1228","0.0004","17.2505","0.0004","79.422","0.002","80.163","0.002","76.369","0.003","1952.25","0.1","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H64 Co2 N16 O21 V6 -","- C60 H64 Co2 N16 O21 V6 -","- C60 H64 Co2 N16 O21 V6 -","1","0.5","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","x-ray","0.71073","MoKα","","0.1093","0.0729","","","0.2192","0.2514","","","","","","1.059","","","","has coordinates","283189","2023-05-05","01:13:12",""
"1568505","13.0369","0.0018","27.261","0.003","18.467","0.003","90","","105.569","0.015","90","","6322.3","1.6","119","1","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H47 Co N12 O25 V6 Zn -","- C42 H39 Co N12 O23 V6 Zn -","- C168 H156 Co4 N48 O92 V24 Zn4 -","4","1","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","","0.71073","MoKα","","0.195","0.1281","","","0.3164","0.3634","","","","","","1.098","","","","has coordinates","283189","2023-05-05","01:13:12",""
"1568506","17.1948","0.0003","15.4967","0.0002","18.288","0.0004","90","","116.713","0.003","90","","4352.96","0.18","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H120 N16 O23 V6 -","- C72 H120 N16 O23 V6 -","- C144 H240 N32 O46 V12 -","2","0.5","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","","0.71073","MoKα","","0.0722","0.0492","","","0.1241","0.1391","","","","","","1.049","","","","has coordinates","283189","2023-05-05","01:13:12",""
"1568507","10.7675","0.0003","17.3155","0.0004","17.5438","0.0005","90","","90","","90","","3270.95","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 O2 U -","- C36 H53 O2 U -","- C144 H212 O8 U4 -","4","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","1.54178","CuKα","","0.0146","0.014","","","0.033","0.0332","","","","","","1.036","","","","has coordinates","281098","2023-02-23","07:53:33",""
"1568508","9.4109","0.0016","10.8091","0.0017","14.131","0.002","94.671","0.005","103.949","0.005","92.409","0.006","1387.6","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C59.95 H82 I0.03 O3.95 U2 -","- C59.894 H82 I0.0528 O3.894 U2 -","- C59.894 H82 I0.0528 O3.894 U2 -","1","0.5","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0277","0.0225","","","0.043","0.0444","","","","","","1.097","","","","has coordinates,has disorder","281098","2023-02-23","07:53:43",""
"1568509","17.9293","0.0018","10.2778","0.001","19.647","0.002","90","","101.133","0.0017","90","","3552.3","0.6","220","","220","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C86 H96 O6 U2 -","- C86 H96 O6 U2 -","- C172 H192 O12 U4 -","2","0.5","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0579","0.0315","","","0.0536","0.0587","","","","","","0.968","","","","has coordinates","281098","2023-02-23","07:53:55",""
"1568510","13.266","0.004","16.193","0.005","15.544","0.005","90","","97.637","0.004","90","","3309.5","1.8","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 O2 U -","- C38 H52 O2 U -","- C152 H208 O8 U4 -","4","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0547","0.0333","","","0.0638","0.073","","","","","","1.067","","","","has coordinates","281098","2023-02-23","07:53:56",""
"1568511","10.5339","0.0009","26.165","0.002","21.8935","0.0018","90","","90.283","0.002","90","","6034.2","0.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H94 O5 U2 -","- C66 H94 O5 U2 -","- C264 H376 O20 U8 -","4","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0792","0.046","","","0.0865","0.0967","","","","","","1.052","","","","has coordinates,has disorder","281098","2023-02-23","07:53:57",""
"1568512","56.6846","0.0017","56.6846","0.0017","10.2786","0.0003","90","","90","","120","","28601.9","1.5","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C70.5 H94 O6 S U2 -","- C60 H82 O6 S U2 -","- C1080 H1476 O108 S18 U36 -","18","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","1.54178","CuKα","","0.0592","0.0419","","","0.0972","0.1058","","","","","","1.019","","","","has coordinates,has disorder","281098","2023-02-23","07:53:57",""
"1568513","43.0997","0.0015","14.4756","0.0006","20.4007","0.0007","90","","100.911","0.003","90","","12497.8","0.8","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C69.5 H90 O7 U2 -","- C62 H82 O7 U2 -","- C496 H656 O56 U16 -","8","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","1.54178","CuKα","","0.1423","0.1225","","","0.2819","0.2921","","","","","","1.18","","","","has coordinates,has disorder","281098","2023-02-23","07:53:59",""
"1568514","13.5817","0.0008","14.3505","0.0006","13.9019","0.0008","90","","116.465","0.004","90","","2425.6","0.2","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H78 N2 O3 Sm -","- C55 H78 N2 O3 Sm -","- C110 H156 N4 O6 Sm2 -","2","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","","0.71073","MoKα","","0.079","0.0438","","","0.0888","0.1317","","","","","","1.239","","","","has coordinates,has disorder","281099","2023-02-23","07:57:44",""
"1568515","18.5124","0.0014","15.2519","0.0011","35.298","0.003","90","","90","","90","","9966.4","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H78 N2 O3 Yb -","- C55 H78 N2 O3 Yb -","- C440 H624 N16 O24 Yb8 -","8","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.1134","0.0647","","","0.133","0.1534","","","","","","1.078","","","","has coordinates,has disorder","281099","2023-02-23","07:57:52",""
"1568516","13.749","0.0009","14.0841","0.0006","26.9502","0.0017","90","","98.698","0.005","90","","5158.7","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H82 B N2 O3 Y -","- C55 H82 B N2 O3 Y -","- C220 H328 B4 N8 O12 Y4 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.0859","0.0526","","","0.1193","0.1378","","","","","","1.014","","","","has coordinates","281099","2023-02-23","07:57:56",""
"1568517","13.8154","0.0004","14.2166","0.0003","26.9732","0.0007","90","","99.004","0.002","90","","5232.5","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H82 B N2 O3 Sm -","- C55 H82 B N2 O3 Sm -","- C220 H328 B4 N8 O12 Sm4 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.0312","0.0242","","","0.0591","0.0617","","","","","","1.038","","","","has coordinates","281099","2023-02-23","07:58:04",""
"1568518","32.7745","0.0007","12.3366","0.0003","14.1237","0.0005","90","","90","","90","","5710.6","0.3","100","","100","","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C117 H164 N4 O6 P4 Sm2 -","- C117 H164 N4 O6 P4 Sm2 -","- C234 H328 N8 O12 P8 Sm4 -","2","0.25","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","","0.71073","MoKα","","0.0962","0.0545","","","0.1387","0.1729","","","","","","1.094","","","","has coordinates,has disorder","281099","2023-02-23","07:58:07",""
"1568519","32.1927","0.0009","12.2887","0.0004","14.1317","0.0006","90","","90","","90","","5590.6","0.3","100","","100","","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C114 H164 N4 O7 P4 Yb2 -","- C114 H164 N4 O7 P4 Yb2 -","- C228 H328 N8 O14 P8 Yb4 -","2","0.25","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.07","0.0413","","","0.1106","0.1175","","","","","","0.918","","","","has coordinates,has disorder","281099","2023-02-23","07:58:09",""
"1568520","31.686","0.0019","23.6758","0.0008","16.4497","0.0009","90","","119.805","0.004","90","","10708.1","1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H156 K N4 O4 P3 Sm2 -","- C116 H156 K N4 O4 P3 Sm2 -","- C464 H624 K4 N16 O16 P12 Sm8 -","4","0.5","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.124","0.0593","","","0.1232","0.1596","","","","","","1.032","","","","has coordinates,has disorder","281099","2023-02-23","07:58:10",""
"1568521","31.3677","0.0014","23.7878","0.0015","16.3094","0.0007","90","","119.275","0.003","90","","10615.3","1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H156 Dy2 K N4 O4 P3 -","- C116 H156 Dy2 K N4 O4 P3 -","- C464 H624 Dy8 K4 N16 O16 P12 -","4","0.5","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","","0.71073","MoKα","","0.0719","0.0414","","","0.0964","0.1125","","","","","","1.027","","","","has coordinates,has disorder","281099","2023-02-23","07:58:10",""
"1568522","13.797","0.0003","14.1608","0.0005","27.0491","0.0006","90","","98.959","0.002","90","","5220.3","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H82 B Dy N2 O3 -","- C55 H82 B Dy N2 O3 -","- C220 H328 B4 Dy4 N8 O12 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.0418","0.0267","","","0.0622","0.0665","","","","","","1.017","","","","has coordinates","281099","2023-02-23","07:58:11",""
"1568523","31.5819","0.0006","24.1585","0.0004","16.5122","0.0003","90","","119.726","0.001","90","","10940.5","0.4","180","","180","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H156 K N4 O4 P3 Y2 -","- C116 H156 K N4 O4 P3 Y2 -","- C464 H624 K4 N16 O16 P12 Y8 -","4","0.5","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","1.34143","GaKα","","0.0867","0.0646","","","0.1946","0.2127","","","","","","1.056","","","","has coordinates,has disorder","281099","2023-02-23","07:58:11",""
"1568524","11.4539","0.0015","15.5189","0.0019","11.6854","0.001","90","","90","","90","","2077.1","0.4","190","2","190","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H24 Ag Cl N2 O4 -","- C22 H24 Ag Cl N2 O4 -","- C88 H96 Ag4 Cl4 N8 O16 -","4","0.5","","Fahrenhorst-Jones, Tyler; Marshall, David L.; Burns, Jed M.; Pierens, Gregory K.; Hormann, Robert E.; Fisher, Allison M.; Bernhardt, Paul V.; Blanksby, Stephen J.; Savage, G. Paul; Eaton, Philip E.; Williams, Craig M.","1-Azahomocubane.","Chemical science","2023","14","11","2821","2825","10.1039/d3sc00001j","","x-ray","1.54184","CuKα","","0.0591","0.0538","","","0.1552","0.1649","","","","","","1.062","","","","has coordinates,has disorder","282295","2023-04-04","10:01:31",""
"1568525","12.0681","0.0005","4.8252","0.0002","15.0066","0.0007","90","","94.654","0.004","90","","870.97","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Bromoisoquinoline","","- C9 H8 Br N O -","- C9 H8 Br N O -","- C36 H32 Br4 N4 O4 -","4","1","","Finkelstein, Patrick; Reisenbauer, Julia C.; Botlik, Bence B.; Green, Ori; Florin, Andri; Morandi, Bill","Nitrogen atom insertion into indenes to access isoquinolines.","Chemical science","2023","14","11","2954","2959","10.1039/d2sc06952k","","x-ray","0.71073","MoKα","","0.0618","0.0391","","","0.0875","0.0948","","","","","","1.037","","","","has coordinates","282293","2023-04-04","10:00:51",""
"1568526","9.8089","0.0003","8.7371","0.0002","18.3869","0.0005","90","","104.498","0.003","90","","1525.6","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-(isoquinolin-1-yl)phenyl)(phenyl)methanone","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Finkelstein, Patrick; Reisenbauer, Julia C.; Botlik, Bence B.; Green, Ori; Florin, Andri; Morandi, Bill","Nitrogen atom insertion into indenes to access isoquinolines.","Chemical science","2023","14","11","2954","2959","10.1039/d2sc06952k","","x-ray","1.54184","CuKα","","0.0803","0.0752","","","0.2394","0.2429","","","","","","1.143","","","","has coordinates","282293","2023-04-04","10:00:55",""
"1568527","16.1966","0.0005","16.5801","0.0005","16.2444","0.0005","90","","100.654","0.003","90","","4287.1","0.2","293","2","293","2","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 F3 Fe N5 O5 S -","- C13 H28 F3 Fe N5 O5 S -","- C104 H224 F24 Fe8 N40 O40 S8 -","8","2","","Kulbir, ?; Das, Sandip; Devi, Tarali; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj","Acid-induced nitrite reduction of nonheme iron(ii)-nitrite: mimicking biological Fe-NiR reactions.","Chemical science","2023","14","11","2935","2942","10.1039/d2sc06704h","","x-ray","0.71073","MoKα","","0.1046","0.0689","","","0.2031","0.2304","","","","","","1.11","","","","has coordinates,has disorder","282296","2023-04-04","10:01:40",""
"1568528","11.791","0.002","14.711","0.003","15.692","0.003","90","","104.111","0.005","90","","2639.8","0.9","293","2","293","2","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 F6 Fe N6 O7 S2 -","- C16 H31 F6 Fe N6 O7 S2 -","- C64 H124 F24 Fe4 N24 O28 S8 -","4","1","","Kulbir, ?; Das, Sandip; Devi, Tarali; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj","Acid-induced nitrite reduction of nonheme iron(ii)-nitrite: mimicking biological Fe-NiR reactions.","Chemical science","2023","14","11","2935","2942","10.1039/d2sc06704h","","x-ray","0.71073","MoKα","","0.115","0.0756","","","0.18","0.2012","","","","","","1.196","","","","has coordinates","282296","2023-04-04","10:01:40",""
"1568529","7.7248","0.0008","23.0566","0.0019","12.1391","0.0013","90","","103.515","0.009","90","","2102.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C92 H84 N4 O20 -","4","1","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi","Distal meta-C-H functionalization of α-substituted cinnamates.","Chemical science","2023","14","22","5880","5886","10.1039/d2sc06206b","","","0.71073","MoKα","","0.0875","0.0492","","","0.1139","0.1345","","","","","","1.027","","","","has coordinates","284895","2023-07-05","09:42:53",""
"1568530","8.2408","0.0005","10.2565","0.0005","15.3407","0.0007","88.527","0.004","77.996","0.004","72.445","0.005","1208.25","0.12","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N O5 S -","- C27 H23 N O5 S -","- C54 H46 N2 O10 S2 -","2","1","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi","Distal meta-C-H functionalization of α-substituted cinnamates.","Chemical science","2023","14","22","5880","5886","10.1039/d2sc06206b","","","0.71073","MoKα","","0.0765","0.0492","","","0.1219","0.1351","","","","","","1.073","","","","has coordinates","284895","2023-07-05","09:42:53",""
"1568531","10.811","0.003","8.0573","0.0019","24.254","0.005","90","","92.718","0.007","90","","2110.3","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Organic","","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C96 H80 N8 O20 -","4","1","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi","Distal meta-C-H functionalization of α-substituted cinnamates.","Chemical science","2023","14","22","5880","5886","10.1039/d2sc06206b","","","0.71073","MoKα","","0.0962","0.0563","","","0.1282","0.1554","","","","","","1.028","","","","has coordinates","284895","2023-07-05","09:42:53",""
"1568533","11.6736","0.0002","18.459","0.0003","20.0226","0.0003","90","","93.092","0.001","90","","4308.25","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H64 La N3 O Si6 -","- C31 H64 La N3 O Si6 -","- C124 H256 La4 N12 O4 Si24 -","4","1","","Rothbaum, Jacob O.; Motta, Alessandro; Kratish, Yosi; Marks, Tobin J.","Mechanistic study of homoleptic trisamidolanthanide-catalyzed aldehyde and ketone hydroboration. Chemically non-innocent ligand participation.","Chemical science","2023","14","12","3247","3256","10.1039/d2sc06442a","","x-ray","0.71073","MoKα","","0.0451","0.0315","","","0.0583","0.0619","","","","","","1.022","","","","has coordinates","282300","2023-04-04","10:03:06",""
"1568534","21.1647","0.0003","15.1053","0.0002","21.1116","0.0003","90","","90.8294","0.0013","90","","6748.65","0.16","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 La N3 O Si5 -","- C22 H50 La N3 O Si5 -","- C176 H400 La8 N24 O8 Si40 -","8","2","","Rothbaum, Jacob O.; Motta, Alessandro; Kratish, Yosi; Marks, Tobin J.","Mechanistic study of homoleptic trisamidolanthanide-catalyzed aldehyde and ketone hydroboration. Chemically non-innocent ligand participation.","Chemical science","2023","14","12","3247","3256","10.1039/d2sc06442a","","x-ray","0.71073","MoKα","","0.0562","0.0372","","","0.0842","0.0934","","","","","","1.048","","","","has coordinates,has disorder","282300","2023-04-04","10:03:06",""
"1568535","27.6404","0.0007","15.2264","0.0003","24.752","0.0007","90","","123.939","0.004","90","","8642.5","0.5","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C55 H140 B6 La2 N4 O8 Si8 -","- C55 H140 B6 La2 N4 O8 Si8 -","- C220 H560 B24 La8 N16 O32 Si32 -","4","1","","Rothbaum, Jacob O.; Motta, Alessandro; Kratish, Yosi; Marks, Tobin J.","Mechanistic study of homoleptic trisamidolanthanide-catalyzed aldehyde and ketone hydroboration. Chemically non-innocent ligand participation.","Chemical science","2023","14","12","3247","3256","10.1039/d2sc06442a","","x-ray","0.71073","MoKα","","0.0673","0.0536","","","0.1334","0.1415","","","","","","1.039","","","","has coordinates","282300","2023-04-04","10:03:06",""
"1568538","6.401","0.0019","7.613","0.002","22.401","0.006","90","","92.679","0.01","90","","1090.4","0.5","276","2","276","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Nan, Jiang; Ren, Xin; Yan, Qiang; Liu, Shilei; Wang, Jing; Ma, Yangmin; Szostak, Michal","Hypervalent iodine-promoted twofold oxidative coupling of amines with amides and thioamides: chemoselective pathway to oxazoles and thiazoles.","Chemical science","2023","14","12","3338","3345","10.1039/d3sc00301a","","","0.71073","MoKα","","0.1165","0.074","","","0.168","0.1873","","","","","","1.062","","","","has coordinates","282310","2023-04-04","10:06:17",""
"1568539","7.5785","0.0006","19.2356","0.0016","13.4588","0.0011","90","","92.817","0.002","90","","1959.6","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 S2 -","- C24 H18 N2 S2 -","- C96 H72 N8 S8 -","4","1","","Nan, Jiang; Ren, Xin; Yan, Qiang; Liu, Shilei; Wang, Jing; Ma, Yangmin; Szostak, Michal","Hypervalent iodine-promoted twofold oxidative coupling of amines with amides and thioamides: chemoselective pathway to oxazoles and thiazoles.","Chemical science","2023","14","12","3338","3345","10.1039/d3sc00301a","","","0.71073","MoKα","","0.1076","0.0731","","","0.15","0.1686","","","","","","1.178","","","","has coordinates","282310","2023-04-04","10:06:17",""
"1568542","13.263","0.0013","24.954","0.002","5.6399","0.0005","90","","90","","90","","1866.6","0.3","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H9 Br N2 O2 -","- C8 H9 Br N2 O2 -","- C64 H72 Br8 N16 O16 -","8","1","","Ji, Peng; Meng, Xiang; Chen, Jing; Gao, Feng; Xu, Hang; Wang, Wei","Combining photoredox catalysis and hydrogen atom transfer for dearomative functionalization of electron rich heteroarenes.","Chemical science","2023","14","12","3332","3337","10.1039/d3sc00060e","","","0.71073","MoKα","","0.0213","0.0185","","","0.0462","0.0473","","","","","","1.042","","","","has coordinates","282301","2023-04-04","10:03:18",""
"1568543","9.1898","0.0001","7.9984","0.0001","14.9186","0.0002","90","","94.829","0.001","90","","1092.68","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 N O4 S -","- C25 H21 N O4 S -","- C50 H42 N2 O8 S2 -","2","1","","Zhou, Ji-Jia; Meng, Ya-Nan; Liu, Li-Gao; Liu, Yi-Xi; Xu, Zhou; Lu, Xin; Zhou, Bo; Ye, Long-Wu","Copper-catalyzed enantioselective diyne cyclization via C(sp2)-O bond cleavage.","Chemical science","2023","14","13","3493","3500","10.1039/d2sc06152j","","x-ray","1.54184","CuKα","","0.044","0.0419","","","0.1237","0.1248","","","","","","1.167","","","","has coordinates","282287","2023-04-04","09:56:26",""
"1568547","9.2183","0.0001","34.7939","0.0004","10.2564","0.0001","90","","91.784","0.001","90","","3288.05","0.06","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl N O2 P S -","- C18 H13 Cl N O2 P S -","- C144 H104 Cl8 N8 O16 P8 S8 -","8","2","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0489","0.0408","","","0.1036","0.1092","","","","","","1.05","","","","has coordinates","281227","2023-03-02","07:55:27",""
"1568548","15.6906","0.0003","14.9491","0.0003","18.9271","0.0004","90","","90","","90","","4439.55","0.15","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H19 Cl N O2 P S -","- C26 H19 Cl N O2 P S -","- C208 H152 Cl8 N8 O16 P8 S8 -","8","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0812","0.0476","","","0.1221","0.1413","","","","","","1.046","","","","has coordinates","281227","2023-03-02","07:55:31",""
"1568549","17.9194","0.0003","12.2042","0.0001","18.6576","0.0002","90","","90","","90","","4080.27","0.09","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N O2 P S -","- C25 H20 N O2 P S -","- C200 H160 N8 O16 P8 S8 -","8","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0481","0.0383","","","0.0883","0.0932","","","","","","1.067","","","","has coordinates","281227","2023-03-02","07:55:34",""
"1568550","50.1288","0.0008","10.1911","0.0002","18.7459","0.0004","90","","90","","90","","9576.7","0.3","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H32 N O2 P S -","- C41 H32 N O2 P S -","- C492 H384 N12 O24 P12 S12 -","12","3","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0967","0.0845","","","0.2096","0.2178","","","","","","1.142","","","","has coordinates,has disorder","281227","2023-03-02","07:55:37",""
"1568551","8.8731","0.0003","10.5634","0.0003","12.9478","0.0004","106.562","0.002","99.86","0.002","107.702","0.003","1063.05","0.07","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 N O2 P S -","- C25 H22 N O2 P S -","- C50 H44 N2 O4 P2 S2 -","2","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0466","0.0376","","","0.0935","0.0991","","","","","","1.033","","","","has coordinates","281227","2023-03-02","07:55:47",""
"1568552","11.1666","0.0002","17.1521","0.0003","12.847","0.0002","90","","103.054","0.002","90","","2397.01","0.07","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N O2 P S -","- C29 H24 N O2 P S -","- C116 H96 N4 O8 P4 S4 -","4","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0569","0.041","","","0.099","0.1065","","","","","","1.049","","","","has coordinates","281227","2023-03-02","07:55:49",""
"1568553","15.6578","0.0004","11.5015","0.0002","15.1026","0.0004","90","","101.945","0.003","90","","2660.91","0.11","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N O2 P S -","- C33 H26 N O2 P S -","- C132 H104 N4 O8 P4 S4 -","4","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0991","0.0564","","","0.1058","0.1205","","","","","","1.046","","","","has coordinates,has disorder","281227","2023-03-02","07:55:49",""
"1568554","8.0545","0.0002","27.2503","0.0006","18.9144","0.0005","90","","91.813","0.002","90","","4149.4","0.18","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C23 H18.5 Cl N1.5 O2 P S -","- C23 H18.5 Cl N1.5 O2 P S -","- C184 H148 Cl8 N12 O16 P8 S8 -","8","2","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0737","0.0467","","","0.0979","0.1029","","","","","","0.911","","","","has coordinates","281227","2023-03-02","07:55:49",""
"1568555","16.434","0.0002","15.6804","0.0002","22.1748","0.0003","90","","92.558","0.001","90","","5708.57","0.13","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 Cl N O2 P S -","- C34 H25 Cl N O2 P S -","- C272 H200 Cl8 N8 O16 P8 S8 -","8","2","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0715","0.0437","","","0.0998","0.1139","","","","","","1.026","","","","has coordinates,has disorder","281227","2023-03-02","07:55:49",""
"1568556","7.73185","0.00008","5.91229","0.00007","19.8978","0.0002","90","","92.4788","0.001","90","","908.736","0.017","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C40 H48 O8 -","2","1","","Xu, Qi; Lu, Chuan-Jun; Guo, Chang-Qiu; Feng, Jia; Liu, Ren-Rong","Palladium-catalyzed enantioselective rearrangement of dienyl cyclopropanes.","Chemical science","2023","14","12","3346","3351","10.1039/d2sc06548g","","x-ray","1.54184","CuKα","","0.026","0.0258","","","0.0681","0.0682","","","","","","1.077","","","","has coordinates","282309","2023-04-04","10:06:06",""
"1568557","29.3549","0.0002","14.3817","0.0001","21.2892","0.0002","90","","106.304","0.001","90","","8626.3","0.12","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H46 B1.5 Cu1.5 F6 N8 O2 -","- C43 H46 B1.5 Cu1.5 F6 N8 O2 -","- C344 H368 B12 Cu12 F48 N64 O16 -","8","1","","Kim, Heechan; Shin, Juhwan; Kim, Seyong; Lee, Dongwhan","Helical fluxionality: numerical frustration drives concerted low-barrier screw motions of a tricopper cluster.","Chemical science","2023","14","12","3265","3269","10.1039/d3sc00851g","","x-ray","1.54184","CuKα","","0.0581","0.0565","","","0.1584","0.1597","","","","","","1.055","","","","has coordinates,has disorder","282306","2023-04-04","10:04:54",""
"1568563","11.4044","0.0004","11.659","0.0004","18.3508","0.0006","77.642","0.001","77.549","0.001","83.582","0.001","2321.88","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H56 B Cl4 N3 -","- C53 H56 B Cl4 N3 -","- C106 H112 B2 Cl8 N6 -","2","1","","Zou, Yang; Yu, Mingxin; Miao, Jingsheng; Huang, Taian; Liao, Shuokun; Cao, Xiaosong; Yang, Chuluo","Dynamic bond interactions fine-tune the properties of multiple resonance emitters towards highly efficient narrowband green OLEDs.","Chemical science","2023","14","12","3326","3331","10.1039/d3sc00246b","","","0.71073","MoKα","","0.149","0.0969","","","0.2507","0.3011","","","","","","1.04","","","","has coordinates","282308","2023-04-04","10:05:44",""
"1568564","29.338","0.003","11.2565","0.0011","16.2958","0.0016","90","","90.366","0.003","90","","5381.5","0.9","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H56 B Cl4 N3 -","- C53 H56 B Cl4 N3 -","- C212 H224 B4 Cl16 N12 -","4","1","","Zou, Yang; Yu, Mingxin; Miao, Jingsheng; Huang, Taian; Liao, Shuokun; Cao, Xiaosong; Yang, Chuluo","Dynamic bond interactions fine-tune the properties of multiple resonance emitters towards highly efficient narrowband green OLEDs.","Chemical science","2023","14","12","3326","3331","10.1039/d3sc00246b","","","0.71073","MoKα","","0.1741","0.1221","","","0.3676","0.4253","","","","","","1.116","","","","has coordinates,has disorder","282308","2023-04-04","10:05:53",""
"1568565","27.1355","0.0006","29.0697","0.0006","33.4936","0.0007","67.428","0.002","80.522","0.002","62.942","0.002","21724.7","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C350 H336 N62 O71 Se2 -","- C347 H185 N62 O71 Se2 -","- C694 H370 N124 O142 Se4 -","2","1","","Menke, Friedericke S.; Wicher, Barbara; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan","An abiotic, tetrameric, eight-helix bundle.","Chemical science","2023","14","14","3742","3751","10.1039/d3sc00267e","","","1.54184","CuKα","","0.1722","0.1553","","","0.4558","0.4739","","","","","","2.094","","","","has coordinates","283175","2023-05-05","01:08:38",""
"1568566","9.5281","0.0006","11.0226","0.0007","11.2386","0.0007","102.796","0.005","97.883","0.005","112.732","0.005","1028.54","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H60 B2 K2 O6 -","- C42 H60 B2 K2 O6 -","- C42 H60 B2 K2 O6 -","1","0.5","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0557","0.0468","","","0.1072","0.1139","","","","","","1.194","","","","has coordinates","284223","2023-06-05","04:02:07",""
"1568567","12.8057","0.0007","14.5978","0.0009","17.7056","0.0014","90","","90","","90","","3309.8","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 B2 K2 O6 -","- C30 H44 B2 K2 O6 -","- C120 H176 B8 K8 O24 -","4","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0355","0.0326","","","0.0833","0.0848","","","","","","1.03","","","","has coordinates","284223","2023-06-05","04:02:09",""
"1568568","12.793","0.0004","10.3041","0.0002","18.528","0.0005","90","","108.578","0.003","90","","2315.1","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 B2 Cl2 S2 -","- C23 H26 B2 Cl2 S2 -","- C92 H104 B8 Cl8 S8 -","4","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0493","0.037","","","0.0962","0.1036","","","","","","1.018","","","","has coordinates,has disorder","284223","2023-06-05","04:02:09",""
"1568569","8.4929","0.0003","9.7032","0.0003","16.0667","0.0006","85.041","0.003","82.312","0.003","84.756","0.003","1302.94","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 B2 I Li O2 -","- C28 H34 B2 I Li O2 -","- C56 H68 B4 I2 Li2 O4 -","2","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0244","0.0226","","","0.0599","0.0611","","","","","","1.063","","","","has coordinates,has disorder","284223","2023-06-05","04:02:09",""
"1568570","9.451","0.0003","27.0259","0.0012","18.235","0.0007","90","","102.177","0.003","90","","4552.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 B2 K2 O6 -","- C48 H64 B2 K2 O6 -","- C192 H256 B8 K8 O24 -","4","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0731","0.05","","","0.1032","0.1114","","","","","","1.058","","","","has coordinates","284223","2023-06-05","04:02:09",""
"1568571","36.4809","0.0003","14.42217","0.00012","7.54283","0.00007","90","","90","","90","","3968.54","0.06","100","0.1","100","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C23 H33 O3.5 -","- C23 H33 O3.5 -","- C184 H264 O28 -","8","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","1.54184","CuKα","","0.0409","0.0387","","","0.1024","0.1041","","","","","","1.045","","","","has coordinates","283190","2023-05-05","01:13:34",""
"1568572","7.46953","0.00017","17.2423","0.0004","25.6766","0.0006","90","","90","","90","","3306.94","0.13","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C168 H208 O24 -","8","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","1.54184","CuKα","","0.0461","0.0406","","","0.1035","0.1073","","","","","","1.059","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1568573","9.6931","0.0004","25.8093","0.0008","7.4931","0.0003","90","","102.745","0.004","90","","1828.38","0.12","113.15","","113.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H30 O2 -","- C23 H30 O2 -","- C92 H120 O8 -","4","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","0.71073","MoKα","","0.0613","0.0503","","","0.1148","0.1241","","","","","","1.031","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1568574","13.3523","0.0001","7.5495","0.0001","16.8408","0.0001","90","","98.785","0.001","90","","1677.69","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C84 H112 O12 -","4","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","1.54184","CuKα","","0.0439","0.0404","","","0.1079","0.1106","","","","","","1.083","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1568575","9.484","0.0003","13.8807","0.0003","14.0827","0.0003","90","","90","","90","","1853.91","0.08","113.15","","113.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","0.71073","MoKα","","0.0397","0.0356","","","0.089","0.0916","","","","","","1.044","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1568611","8.3118","0.0007","8.452","0.0005","12.0667","0.0008","80.772","0.005","79.03","0.006","72.149","0.006","787.41","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 Br Cl F2 O3 -","- C18 H8 Br Cl F2 O3 -","- C36 H16 Br2 Cl2 F4 O6 -","2","1","","Linde, Sif T.; Corti, Vasco; Lauridsen, Vibeke H.; Lamhauge, Johannes N.; Jørgensen, Karl Anker; Rezayee, Nomaan M.","Atroposelective brominations to access chiral biaryl scaffolds using high-valent Pd-catalysis.","Chemical science","2023","14","13","3676","3681","10.1039/d2sc06131g","","x-ray","0.71073","MoKα","","0.0519","0.0421","","","0.103","0.1114","","","","","","1.0351","","","","has coordinates","283169","2023-05-05","01:06:05",""
"1568612","10.6752","0.0002","11.971","0.0004","12.2865","0.0004","90","","90","","90","","1570.13","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9.714 H9.143 Br1.143 O1.143 -","- C9.71429 H9.14286 Br1.14286 O1.14286 -","- C68 H64 Br8 O8 -","7","1.75","","Linde, Sif T.; Corti, Vasco; Lauridsen, Vibeke H.; Lamhauge, Johannes N.; Jørgensen, Karl Anker; Rezayee, Nomaan M.","Atroposelective brominations to access chiral biaryl scaffolds using high-valent Pd-catalysis.","Chemical science","2023","14","13","3676","3681","10.1039/d2sc06131g","","x-ray","0.71073","MoKα","","0.0381","0.0337","","","0.0674","0.0715","","","","","","1.0319","","","","has coordinates","283169","2023-05-05","01:06:06",""
"1568613","10.4129","0.0001","10.4129","0.0001","10.4129","0.0001","90","","90","","90","","1129.06","0.019","300","2","300","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cl12 Cs4 Mo2 Na2 -","- Cl12 Cs4 Mo2 Na2 -","- Cl24 Cs8 Mo4 Na4 -","2","0.0104167","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.0161","0.0136","","","0.0371","0.0382","","","","","","1.225","","","","has coordinates","283187","2023-05-05","01:12:30",""
"1568614","7.3359","0.0002","7.3359","0.0002","6.8017","0.0002","90","","90","","120","","316.997","0.015","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C2 H12 Ag Cl6 Mo N2 -","- C2 H12.0024 Ag Cl6 Mo N2 -","- C2 H12.0024 Ag Cl6 Mo N2 -","1","0.0833333","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.0369","0.0368","","","0.0964","0.0964","","","","","","1.373","","","","has coordinates","283187","2023-05-05","01:12:31",""
"1568615","7.636","0.002","7.671","0.002","9.789","0.003","80.191","0.012","88.082","0.012","89.402","0.012","564.7","0.3","460","2","460","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","1","0.5","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.0643","0.0412","","","0.1038","0.1144","","","","","","1.067","","","","has coordinates","283187","2023-05-05","01:12:31",""
"1568616","7.6668","0.0015","7.7072","0.0014","9.449","0.0014","102.229","0.008","91.183","0.006","90.127","0.006","545.54","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","1","0.5","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.041","0.0396","","","0.118","0.1188","","","","","","1.187","","","","has coordinates","283187","2023-05-05","01:12:31",""
"1568617","16.0647","0.0009","7.3477","0.0004","16.1264","0.0008","90","","103.599","0.002","90","","1850.17","0.17","300","2","300","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C4 H24 Cl7 Mo N4 -","- C4 H24 Cl7 Mo N4 -","- C16 H96 Cl28 Mo4 N16 -","4","1","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.041","0.0251","","","0.0496","0.054","","","","","","1.037","","","","has coordinates","283187","2023-05-05","01:12:31",""
"1568618","11.6629","0.0009","10.2338","0.0005","20.6113","0.0012","90","","105.744","0.007","90","","2367.8","0.3","150.01","0.1","150.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","W(u-CF)(AuCl)(CO)2(Tp*)","","- C18 H22 Au B Cl F N6 O2 W -","- C18 H22 Au B Cl F N6 O2 W -","- C72 H88 Au4 B4 Cl4 F4 N24 O8 W4 -","4","1","","Manzano, Richard A.; Hill, Anthony F.","Fluorocarbyne complexes via electrophilic fluorination of carbido ligands.","Chemical science","2023","14","14","3776","3781","10.1039/d3sc00261f","","x-ray","0.71073","MoKα","","0.0497","0.0359","","","0.0671","0.0734","","","","","","1.015","","","","has coordinates","283172","2023-05-05","01:06:50",""
"1568619","7.9256","0.0003","13.8329","0.0007","19.194","0.0009","90","","96.493","0.004","90","","2090.82","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 B F Mo N6 O2 -","- C18 H22 B F Mo N6 O2 -","- C72 H88 B4 F4 Mo4 N24 O8 -","4","1","","Manzano, Richard A.; Hill, Anthony F.","Fluorocarbyne complexes via electrophilic fluorination of carbido ligands.","Chemical science","2023","14","14","3776","3781","10.1039/d3sc00261f","","x-ray","0.71073","MoKα","","0.0715","0.0632","","","0.1457","0.1489","","","","","","1.19","","","","has coordinates","283172","2023-05-05","01:06:50",""
"1568620","10.2031","0.0002","11.8054","0.0003","16.122","0.0004","74.925","0.002","89.781","0.002","89.984","0.002","1875.08","0.08","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C90 H51 B3 Br6 -","- C90 H51 B3 Br6 -","- C90 H51 B3 Br6 -","1","1","","Guo, Jing; Zhang, Kaihua; Wang, Yanpei; Wei, Haipeng; Xiao, Wang; Yang, Kun; Zeng, Zebing","Fully-fused boron-doped olympicenes: modular synthesis, tunable optoelectronic properties, and one-electron reduction.","Chemical science","2023","14","15","4158","4165","10.1039/d3sc00342f","","x-ray","1.54184","CuKα","","0.0609","0.0511","","","0.124","0.1289","","","","","","1.043","","","","has coordinates","283183","2023-05-05","01:11:03",""
"1568621","9.6748","0.0003","10.1293","0.0004","17.5132","0.0006","97.089","0.003","94.219","0.003","117.91","0.003","1488.08","0.1","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C37 H22 B Br2 Cl3 -","- C37 H22 B Br2 Cl3 -","- C74 H44 B2 Br4 Cl6 -","2","1","","Guo, Jing; Zhang, Kaihua; Wang, Yanpei; Wei, Haipeng; Xiao, Wang; Yang, Kun; Zeng, Zebing","Fully-fused boron-doped olympicenes: modular synthesis, tunable optoelectronic properties, and one-electron reduction.","Chemical science","2023","14","15","4158","4165","10.1039/d3sc00342f","","x-ray","1.54184","CuKα","","0.0704","0.0621","","","0.1779","0.1916","","","","","","1.07","","","","has coordinates","283183","2023-05-05","01:11:03",""
"1568622","9.3498","0.0008","11.4321","0.001","15.5813","0.0014","69.242","0.002","84.549","0.002","77.162","0.002","1518.2","0.2","131","2","131","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H86 B2 N6 -","- C68 H86 B2 N6 -","- C68 H86 B2 N6 -","1","0.5","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states via the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.0567","0.055","","","0.1395","0.141","","","","","","1.043","","","","has coordinates","282285","2023-04-04","09:55:42",""
"1568623","9.7065","0.001","10.4206","0.0011","16.6116","0.0017","73.769","0.004","73.502","0.004","79.487","0.004","1537.1","0.3","138","2","138","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H80 B2 F6 N6 Sb -","- C62 H79.12 B2 F6 N6 Sb -","- C62 H79.12 B2 F6 N6 Sb -","1","0.5","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states via the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.069","0.0637","","","0.1782","0.1815","","","","","","1.089","","","","has coordinates,has disorder","282285","2023-04-04","09:55:42",""
"1568624","32.041","0.003","12.9784","0.0011","16.7286","0.0014","90","","117.642","0.002","90","","6162.5","0.9","135","2","135","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H88 B2 N6 -","- C66 H88 B2 N6 -","- C264 H352 B8 N24 -","4","0.5","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states via the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.0674","0.0644","","","0.1693","0.1724","","","","","","1.063","","","","has coordinates","282285","2023-04-04","09:55:42",""
"1568625","24.71","0.0012","21.2756","0.001","24.7191","0.0012","90","","98.219","0.002","90","","12861.9","1.1","120","2","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H96 Al2 B2 F72 N6 O8 -","- C108 H96 Al2 B2 F72 N6 O8 -","- C432 H384 Al8 B8 F288 N24 O32 -","4","1","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states via the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.1491","0.1444","","","0.3288","0.3316","","","","","","1.028","","","","has coordinates,has disorder","282285","2023-04-04","09:55:42",""
"1568627","13.3238","0.0006","20.1104","0.0007","16.9292","0.0007","90","","96.463","0.004","90","","4507.3","0.3","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(±)-3a","[2.2]Triphenylenophane","","- C58 H46 N2 O6 S2 -","- C58 H46 N2 O6 S2 -","- C232 H184 N8 O24 S8 -","4","1","","Kawai, Yuya; Nogami, Juntaro; Nagashima, Yuki; Tanaka, Ken","Stereoselective synthesis of [2.2]triphenylenophanes via intramolecular double [2 + 2 + 2] cycloadditions.","Chemical science","2023","14","15","3963","3972","10.1039/d3sc00571b","","x-ray","0.71073","MoKα","","0.1235","0.0633","","","0.1511","0.181","","","","","","0.975","","","","has coordinates","283181","2023-05-05","01:10:30",""
"1568628","12.9227","0.0004","24.0368","0.0007","17.132","0.0005","90","","97.506","0.003","90","","5275.9","0.3","210","","210","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-3e","[2.2][5]Helicenophane","","- C70 H52 O2 -","- C70 H52 O2 -","- C280 H208 O8 -","4","1","","Kawai, Yuya; Nogami, Juntaro; Nagashima, Yuki; Tanaka, Ken","Stereoselective synthesis of [2.2]triphenylenophanes via intramolecular double [2 + 2 + 2] cycloadditions.","Chemical science","2023","14","15","3963","3972","10.1039/d3sc00571b","","x-ray","0.71073","MoKα","","0.1502","0.0765","","","0.1708","0.1958","","","","","","0.986","","","","has coordinates,has disorder","283181","2023-05-05","01:10:40",""
"1568629","8.9688","0.0003","15.8749","0.0006","16.3925","0.0005","90","","90","","90","","2333.94","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N4 Pd -","- C26 H32 N4 Pd -","- C104 H128 N16 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation via concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.0403","0.0396","","","0.0931","0.094","","","","","","1.379","","","","has coordinates","283174","2023-05-05","01:08:18",""
"1568630","17.1932","0.0005","11.4548","0.0003","8.6473","0.0003","90","","90","","90","","1703.04","0.09","173","2","173","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C30 H38 Cl2 N6 O8 Pd -","- C30 H38 Cl2 N6 O8 Pd -","- C60 H76 Cl4 N12 O16 Pd2 -","2","0.5","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation via concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.0314","0.0267","","","0.061","0.0634","","","","","","1.049","","","","has coordinates","283174","2023-05-05","01:08:19",""
"1568631","14.0733","0.0011","18.7386","0.0015","15.869","0.0012","90","","109.564","0.005","90","","3943.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 Cl3 Li N4 O11 Pd -","- C34 H51 Cl3 Li N4 O11 Pd -","- C136 H204 Cl12 Li4 N16 O44 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation via concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.1178","0.0578","","","0.1236","0.1533","","","","","","1.011","","","","has coordinates,has disorder","283174","2023-05-05","01:08:19",""
"1568632","11.34","0.001","12.2808","0.001","20.326","0.002","90","","90","","90","","2830.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Cl N5 O4 Pd -","- C28 H35 Cl N5 O4 Pd -","- C112 H140 Cl4 N20 O16 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation via concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.029","0.0249","","","0.0508","0.0524","","","","","","1.018","","","","has coordinates,has disorder","283174","2023-05-05","01:08:19",""
"1568633","8.7777","0.0002","30.6361","0.0006","9.7205","0.0002","90","","113.69","","90","","2393.71","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 Cl N4 Pd -","- C26 H33 Cl N4 Pd -","- C104 H132 Cl4 N16 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation via concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.0185","0.0178","","","0.0431","0.0435","","","","","","1.1","","","","has coordinates","283174","2023-05-05","01:08:19",""
"1568634","13.3548","0.0001","14.7155","0.0001","11.9066","0.0001","90","","105.491","0.001","90","","2254.91","0.03","123.2","0.3","123.2","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 Br2 Fe P5 -","- C16 H27 Br2 Fe P5 -","- C64 H108 Br8 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.39222","CuKβ","","0.0491","0.048","","","0.1321","0.1335","","","","","","1.053","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568635","9.1712","0.0001","14.2201","0.0001","14.903","0.0002","90","","90","","90","","1943.58","0.04","123.01","0.1","123.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 Fe P5 -","- C15 H25 Fe P5 -","- C60 H100 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0271","0.0267","","","0.059","0.0592","","","","","","1.076","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568636","9.4353","0.0002","13.7981","0.0003","15.3668","0.0004","69.087","0.002","77.735","0.002","89.91","0.002","1820.09","0.08","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H23 Fe P5 -","- C14 H23 Fe P5 -","- C56 H92 Fe4 P20 -","4","2","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0362","0.0355","","","0.0971","0.0978","","","","","","1.058","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568637","8.4755","0.0001","8.8421","0.0001","22.8473","0.0003","90","","90","","90","","1712.2","0.04","123","0.1","123","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 Fe P5 -","- C13 H21 Fe P5 -","- C52 H84 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0274","0.0272","","","0.0737","0.0739","","","","","","1.036","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568638","9.293","0.0003","14.8439","0.0005","14.4562","0.0005","90","","90","","90","","1994.15","0.12","122.99","0.1","122.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Fe P5 -","- C16 H27 Fe P5 -","- C64 H108 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0468","0.0462","","","0.1091","0.1093","","","","","","1.2","","","","has coordinates,has disorder","283177","2023-05-05","01:09:13",""
"1568639","16.7779","0.0001","10.4268","0.0001","11.693","0.0001","90","","101.778","0.001","90","","2002.5","0.03","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 P S -","- C10 H13 P S -","- C80 H104 P8 S8 -","8","2","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0279","0.0272","","","0.0746","0.0751","","","","","","1.049","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568640","19.03","0.0005","6.1666","0.0002","10.2233","0.0002","90","","97.346","0.002","90","","1189.86","0.06","122.97","0.11","122.97","0.11","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H17 P S -","- C12 H17 P S -","- C48 H68 P4 S4 -","4","2","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0654","0.0599","","","0.1648","0.1704","","","","","","1.057","","","","has coordinates,has disorder","283177","2023-05-05","01:09:13",""
"1568641","16.0552","0.0008","10.9392","0.0005","6.204","0.0003","90","","90","","90","","1089.61","0.09","122.98","0.1","122.98","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H15 P S -","- C11 H15 P S -","- C44 H60 P4 S4 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0539","0.0514","","","0.1439","0.1467","","","","","","1.108","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568642","12.9259","0.0001","9.9976","0.0001","19.7326","0.0001","90","","94.216","0.001","90","","2543.1","0.03","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 P S -","- C13 H19 P S -","- C104 H152 P8 S8 -","8","4","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0364","0.0358","","","0.1013","0.1018","","","","","","1.027","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568643","11.6774","0.0001","11.6774","0.0001","18.9131","0.0002","90","","90","","90","","2579.02","0.04","100.01","0.12","100.01","0.12","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C8 H18 Cl2 P2 Pt -","- C8 H18 Cl2 P2 Pt -","- C64 H144 Cl16 P16 Pt8 -","8","0.5","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","0.71073","MoKα","","0.02","0.0195","","","0.0495","0.0499","","","","","","1.081","","","","has coordinates,has disorder","283177","2023-05-05","01:09:13",""
"1568644","9.724","0.0001","22.5867","0.0001","10.3002","0.0001","90","","106.207","0.001","90","","2172.36","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H57 N2 P3 -","- C51 H57 N2 P3 -","- C102 H114 N4 P6 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","","","0.0354","0.0343","","","0.0878","0.0889","","","","","","1.047","","","","has coordinates","283173","2023-05-05","01:07:50",""
"1568645","11.5146","0.0002","13.8208","0.0002","16.3726","0.0003","76.35","0.001","86.705","0.001","79.973","0.001","2492.92","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H59 I N2 O P3 Rh -","- C53 H59 I N2 O P3 Rh -","- C106 H118 I2 N4 O2 P6 Rh2 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0254","0.0235","","","0.0606","0.0615","","","","","","1.089","","","","has coordinates","283173","2023-05-05","01:07:50",""
"1568646","10.7834","0.0002","14.9584","0.0003","19.8288","0.0003","96.372","0.002","103.56","0.001","100.505","0.002","3017.36","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H64 Br2 N2 O P3 Rh -","- C59 H64 Br2 N2 O P3 Rh -","- C118 H128 Br4 N4 O2 P6 Rh2 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0862","0.0776","","","0.2247","0.2356","","","","","","1.082","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568647","11.62871","0.00011","14.7063","0.00014","22.76166","0.00016","81.2531","0.0007","77.8491","0.0007","73.0988","0.0008","3623.8","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H43 Li N2 O P2 -","- C43 H43 Li N2 O P2 -","- C172 H172 Li4 N8 O4 P8 -","4","2","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0475","0.0444","","","0.118","0.1206","","","","","","1.027","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568648","11.4287","0.0001","25.4664","0.0003","39.3056","0.0007","90","","110.858","0.002","90","","10690.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H61 I N2 O P3 Rh -","- C54 H61 I N2 O P3 Rh -","- C432 H488 I8 N16 O8 P24 Rh8 -","8","2","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0711","0.0546","","","0.1455","0.1559","","","","","","1.065","","","","has coordinates","283173","2023-05-05","01:07:50",""
"1568649","11.6926","0.0001","14.4062","0.0002","16.2053","0.0002","105.002","0.001","95.705","0.001","98.036","0.001","2584.42","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H65 Cl N2 O P3 Rh -","- C55 H65 Cl N2 O P3 Rh -","- C110 H130 Cl2 N4 O2 P6 Rh2 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","0.71073","MoKα","","0.0421","0.0319","","","0.0798","0.0844","","","","","","1.035","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568650","12.2238","0.0002","33.5168","0.0004","12.3138","0.0001","90","","105.065","0.001","90","","4871.61","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H65 N2 P4 Rh -","- C54 H65 N2 P4 Rh -","- C216 H260 N8 P16 Rh4 -","4","2","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","0.71073","MoKα","","0.0358","0.032","","","0.0762","0.0778","","","","","","1.063","","","","has coordinates","283173","2023-05-05","01:07:50",""
"1568651","13.4359","0.0002","14.5922","0.0002","28.2841","0.0004","83.805","0.001","82.158","0.001","65.89","0.002","5005.91","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H120 N4 O3 P6 Rh2 -","- C108 H120 N4 O3 P6 Rh2 -","- C216 H240 N8 O6 P12 Rh4 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0468","0.0443","","","0.1194","0.1216","","","","","","1.023","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568652","43.4288","0.0005","43.4288","0.0005","13.10301","0.00016","90","","90","","120","","21402.1","0.4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C53 H59 I N2 O P3 Rh -","- C53 H59 I N2 O P3 Rh -","- C954 H1062 I18 N36 O18 P54 Rh18 -","18","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0573","0.0506","","","0.1252","0.1292","","","","","","1.11","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568653","17.9895","0.0001","19.0756","0.0001","19.2191","0.0001","89.783","0.001","67.234","0.001","62.295","0.001","5257.42","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C107.5 H118 I2 N4 O2 P6 Rh2 -","- C107.5 H118 I2 N4 O2 P6 Rh2 -","- C215 H236 I4 N8 O4 P12 Rh4 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0381","0.0367","","","0.0889","0.0899","","","","","","1.037","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568654","6.173","0.004","7.53","0.004","17.45","0.01","99.942","0.015","93.614","0.016","95.649","0.016","792.4","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 F6 N O S -","- C15 H11 F6 N O S -","- C30 H22 F12 N2 O2 S2 -","2","1","","Yang, Yi; Saffon-Merceron, Nathalie; Vantourout, Julien C.; Tlili, Anis","Novel N(SCF3)(CF3)-amines: synthesis, scalability and stability.","Chemical science","2023","14","14","3893","3898","10.1039/d2sc06542h","","","0.71073","MoKα","","0.1681","0.0713","","","0.1597","0.2145","","","","","","1.012","","","","has coordinates,has disorder","283171","2023-05-05","01:06:30",""
"1568660","8.9864","0.0004","15.1402","0.0011","24.1044","0.0011","90","","95.057","0.004","90","","3266.8","0.3","109","3","109","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C176 H136 N8 O16 -","8","2","","Fan, Rong; Liu, Shihan; Yan, Qiang; Wei, Yun; Wang, Jingwen; Lan, Yu; Tan, Jiajing","Empowering boronic acids as hydroxyl synthons for aryne induced three-component coupling reactions.","Chemical science","2023","14","16","4278","4287","10.1039/d3sc00072a","","x-ray","0.71073","MoKα","","0.0648","0.0465","","","0.092","0.1014","","","","","","1.042","","","","has coordinates","283164","2023-05-05","01:04:36",""
"1568661","14.8247","0.0004","11.5912","0.0003","15.542","0.0004","90","","97.987","0.003","90","","2644.77","0.12","112.15","0.1","112.15","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C144 H120 N8 O8 -","8","2","","Fan, Rong; Liu, Shihan; Yan, Qiang; Wei, Yun; Wang, Jingwen; Lan, Yu; Tan, Jiajing","Empowering boronic acids as hydroxyl synthons for aryne induced three-component coupling reactions.","Chemical science","2023","14","16","4278","4287","10.1039/d3sc00072a","","x-ray","0.71073","MoKα","","0.0643","0.0446","","","0.098","0.1104","","","","","","1.032","","","","has coordinates","283164","2023-05-05","01:04:37",""
"1568662","11.5164","0.0005","17.905","0.0005","31.034","0.001","77.629","0.002","80.917","0.003","84.108","0.003","6156.5","0.4","169.99","0.11","169.99","0.11","","","","","","","","3","P -1","-P 1","2","","DYX-7","","- C147 H123 Cl9 -","- C147 H123 Cl9 -","- C294 H246 Cl18 -","2","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.2019","0.1631","","","0.4168","0.444","","","","","","1.536","","","","has coordinates,has disorder","287329","2023-11-06","07:08:39",""
"1568663","11.53234","0.00011","17.8477","0.00019","30.031","0.0003","90","","91.5252","0.0009","90","","6178.96","0.11","170","0.1","170","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C84.7 H68.52 -","- C84.698 H68.512 -","- C338.792 H274.048 -","4","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","","1.54184","CuKα","","0.0647","0.0601","","","0.1527","0.159","","","","","","1.069","","","","has coordinates,has disorder","287329","2023-11-06","07:08:44",""
"1568664","31.90908","0.00014","31.90908","0.00014","37.2706","0.00018","90","","90","","120","","32864.4","0.3","169.99","0.12","169.99","0.12","","","","","","","","3","R -3 :H","-R 3","148","","","","- C73 H57 Cl5 -","- C73 H57 Cl5 -","- C1314 H1026 Cl90 -","18","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.0671","0.0643","","","0.1845","0.1871","","","","","","1.049","","","","has coordinates","287329","2023-11-06","07:08:45",""
"1568665","12.6634","0.0006","19.4621","0.0006","22.141","0.0006","101.227","0.002","95.079","0.003","100.078","0.003","5227.1","0.3","169.99","0.1","169.99","0.1","","","","","","","","2","P -1","-P 1","2","","","","- C72 H56 -","- C72 H56 -","- C288 H224 -","4","2","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.1265","0.0953","","","0.2567","0.2838","","","","","","1.043","","","","has coordinates,has disorder","287329","2023-11-06","07:08:45",""
"1568666","19.4705","0.0002","18.0286","0.0001","26.3919","0.0003","90","","100.346","0.001","90","","9113.61","0.15","172.99","0.1","172.99","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C132 H54 -","- C132 H54 -","- C528 H216 -","4","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.0914","0.0769","","","0.2206","0.2338","","","","","","1.078","","","","has coordinates","287329","2023-11-06","07:08:45",""
"1568667","9.6072","0.0004","10.0198","0.0004","10.2726","0.0004","81.79","0.003","67.85","0.004","63.025","0.004","815.76","0.07","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H52 B2 N2 O4 -","- C32 H52 B2 N2 O4 -","- C32 H52 B2 N2 O4 -","1","0.5","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","x-ray","0.71073","MoKα","","0.0514","0.034","","","0.0494","0.0538","","","","","","1.0975","","","","has coordinates","283178","2023-05-05","01:09:42",""
"1568668","7.3365","0.0002","12.5616","0.0004","15.3464","0.0004","107.814","0.003","93.035","0.002","97.768","0.002","1327.45","0.07","120.01","0.1","120","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H23 B2 Br4 Cl2 N O -","- C23 H23 B2 Br4 Cl2 N O -","- C46 H46 B4 Br8 Cl4 N2 O2 -","2","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0444","0.0286","","","0.0551","0.0593","","","","","","1.048","","","","has coordinates,has disorder","283178","2023-05-05","01:09:42",""
"1568669","15.7521","0.0004","6.9607","0.0001","12.136","0.0002","90","","90.573","0.002","90","","1330.59","0.04","120.01","0.11","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B Br2 N -","- C12 H18 B Br2 N -","- C48 H72 B4 Br8 N4 -","4","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0344","0.0236","","","0.0486","0.0512","","","","","","1.048","","","","has coordinates","283178","2023-05-05","01:09:42",""
"1568670","17.5337","0.0011","9.019","0.0003","18.6811","0.0008","90","","117.156","0.006","90","","2628.5","0.3","120.01","0.13","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H24 B2 Br4 Cl N O -","- C24.5 H24 B2 Br4 Cl N O -","- C98 H96 B8 Br16 Cl4 N4 O4 -","4","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0913","0.0497","","","0.0987","0.1156","","","","","","1.012","","","","has coordinates,has disorder","283178","2023-05-05","01:09:42",""
"1568671","11.9253","0.0005","13.1059","0.0008","16.0617","0.0006","86.088","0.004","72.721","0.003","77.089","0.004","2336.4","0.2","120.1","0.5","120.1","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 B Cl3 N O -","- C25 H27 B Cl3 N O -","- C100 H108 B4 Cl12 N4 O4 -","4","2","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","x-ray","0.71073","MoKα","","0.08","0.0479","","","0.0953","0.1004","","","","","","0.961","","","","has coordinates","283178","2023-05-05","01:09:42",""
"1568672","9.8358","0.0001","11.6082","0.0001","22.5888","0.0002","90","","90","","90","","2579.1","0.04","119.99","0.17","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 B2 Br2 N O -","- C30 H31 B2 Br2 N O -","- C120 H124 B8 Br8 N4 O4 -","4","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0312","0.0257","","","0.0559","0.0578","","","","","","1.051","","","","has coordinates","283178","2023-05-05","01:09:42",""
"1568674","8.4703","0.0002","13.2994","0.0003","24.425","0.0007","90","","90","","90","","2751.47","0.12","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 N4 Si -","- C29 H38 N4 Si -","- C116 H152 N16 Si4 -","4","1","","Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian","Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.","Chemical science","2023","14","15","4091","4101","10.1039/d3sc00193h","","","0.71073","MoKα","","0.0566","0.0476","","","0.1161","0.1237","","","","","","1.048","","","","has coordinates","283186","2023-05-05","01:12:09",""
"1568675","10.8497","0.0008","15.4899","0.0012","20.3611","0.0014","90","","97.135","0.002","90","","3395.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cl3 N3 O Si -","- C30 H44 Cl3 N3 O Si -","- C120 H176 Cl12 N12 O4 Si4 -","4","1","","Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian","Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.","Chemical science","2023","14","15","4091","4101","10.1039/d3sc00193h","","","0.71073","MoKα","","0.1143","0.0718","","","0.1771","0.2144","","","","","","1.034","","","","has coordinates,has disorder","283186","2023-05-05","01:12:09",""
"1568676","22.2241","0.0009","9.0072","0.0003","30.4536","0.0011","90","","90","","90","","6096.1","0.4","272","2","272","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Cl6 N2 Si -","- C25 H36 Cl6 N2 Si -","- C200 H288 Cl48 N16 Si8 -","8","1","","Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian","Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.","Chemical science","2023","14","15","4091","4101","10.1039/d3sc00193h","","","1.54178","CuKα","","0.0912","0.0568","","","0.1454","0.1648","","","","","","1.05","","","","has coordinates,has disorder","283186","2023-05-05","01:12:09",""
"1568680","18.1535","0.0009","11.2621","0.0005","20.3773","0.001","90","","90","","90","","4166.1","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N O P -","- C26 H24 N O P -","- C208 H192 N8 O8 P8 -","8","1","","Yang, Qingjing; Zhou, Jian; Wang, Jun Joelle","Enantioselective copper-catalyzed hydrophosphination of alkenyl isoquinolines.","Chemical science","2023","14","16","4413","4417","10.1039/d2sc06950d","","x-ray","0.71073","MoKα","","0.064","0.0414","","","0.0988","0.1101","","","","","","1.025","","","","has coordinates","283167","2023-05-05","01:05:37",""
"1568681","22.579","0.008","22.754","0.008","24.113","0.008","108.799","0.005","106.39","0.005","104.441","0.005","10431","6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C326 H425 Br3 Cu24 N10 O90 -","- C322 H284 Br3 Cu24 N10 O90 -","- C322 H284 Br3 Cu24 N10 O90 -","1","0.5","","Hu, Xiangquan; Han, Meirong; Wang, Leicheng; Shao, Li; Peeyush, Yadav; Du, Jialei; Kelley, Steven P.; Dalgarno, Scott J.; Atwood, David A.; Feng, Sisi; Atwood, Jerry L.","A copper-seamed coordination nanocapsule as a semiconductor photocatalyst for molecular oxygen activation.","Chemical science","2023","14","17","4532","4537","10.1039/d3sc00318c","","","0.71073","MoKα","","0.2263","0.1196","","","0.3193","0.3859","","","","","","1.132","","","","has coordinates,has disorder","284206","2023-06-05","03:53:10",""
"1568682","18.0163","0.0003","17.0386","0.0003","22.7773","0.0004","90","","106.062","0.002","90","","6719.1","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H108 N2 O Y -","- C76 H108 N2 O Y -","- C304 H432 N8 O4 Y4 -","4","0.5","","Jena, Rashmi; Benner, Florian; Delano, 4th, Francis; Holmes, Daniel; McCracken, John; Demir, Selvan; Odom, Aaron L.","A rare isocyanide derived from an unprecedented neutral yttrium(ii) bis(amide) complex.","Chemical science","2023","14","16","4257","4264","10.1039/d3sc00171g","","x-ray","1.54184","CuKα","","0.0446","0.0417","","","0.113","0.115","","","","","","1.033","","","","has coordinates,has disorder","283168","2023-05-05","01:05:54",""
"1568683","13.82162","0.00015","28.6809","0.0003","17.115","0.0002","90","","106.366","0.0013","90","","6509.78","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H100 N3 Y -","- C73 H100 N3 Y -","- C292 H400 N12 Y4 -","4","1","","Jena, Rashmi; Benner, Florian; Delano, 4th, Francis; Holmes, Daniel; McCracken, John; Demir, Selvan; Odom, Aaron L.","A rare isocyanide derived from an unprecedented neutral yttrium(ii) bis(amide) complex.","Chemical science","2023","14","16","4257","4264","10.1039/d3sc00171g","","","1.54184","CuKα","","0.0508","0.0411","","","0.091","0.0951","","","","","","1.035","","","","has coordinates","283168","2023-05-05","01:05:55",""
"1568684","39.603","0.0005","16.4949","0.0002","25.0473","0.0003","90","","91.017","0.001","90","","16359.5","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H125 Cl N2 Y -","- C84 H125 Cl N2 Y -","- C672 H1000 Cl8 N16 Y8 -","8","1","","Jena, Rashmi; Benner, Florian; Delano, 4th, Francis; Holmes, Daniel; McCracken, John; Demir, Selvan; Odom, Aaron L.","A rare isocyanide derived from an unprecedented neutral yttrium(ii) bis(amide) complex.","Chemical science","2023","14","16","4257","4264","10.1039/d3sc00171g","","x-ray","1.54178","CuKα","","0.0765","0.0598","","","0.1564","0.1727","","","","","","1.032","","","","has coordinates,has disorder","283168","2023-05-05","01:05:55",""
"1568685","5.17882","0.00011","9.5846","0.0002","23.5161","0.0006","90","","90","","90","","1167.27","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2S-azido 3S-Boc-amino butyrolactone","tert-butyl (4-azido-5-oxotetrahydrofuran-3-yl)carbamate","","- C9 H14 N4 O4 -","- C9 H14 N4 O4 -","- C36 H56 N16 O16 -","4","1","","Lichstrahl, Michael S.; Kahlert, Lukas; Li, Rongfeng; Zandi, Trevor A.; Yang, Jerry; Townsend, Craig A.","Synthesis of functionalized 2,3-diaminopropionates and their potential for directed monobactam biosynthesis.","Chemical science","2023","14","14","3923","3931","10.1039/d2sc06893a","","","1.54178","CuKα","","0.0296","0.0288","","","0.077","0.0782","","","","","","1.041","","","","has coordinates,has disorder","283176","2023-05-05","01:08:46",""
"1568686","12.7225","0.0008","15.8452","0.001","18.7186","0.0013","104.805","0.006","97.924","0.005","96.664","0.005","3568","0.4","100.03","0.16","100.03","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C76.46 H92.69 Cl N7.23 O11 -","- C76.458 H92.687 Cl N7.229 O11 -","- C152.916 H185.374 Cl2 N14.458 O22 -","2","1","","Wang, Hu; Jones, Leighton O.; Zhao, Tian; Hwang, Inhong; Lynch, Vincent M.; Khashab, Niveen M.; Schatz, George C.; Page, Zachariah A.; Sessler, Jonathan L.","Fluorescent copolymer aggregate sensor for lithium chloride.","Chemical science","2023","14","15","4120","4125","10.1039/d2sc05342j","","x-ray","1.54184","CuKα","","0.0846","0.0589","","","0.1769","0.1919","","","","","","1.042","","","","has coordinates,has disorder","283185","2023-05-05","01:11:50",""
"1568687","14.2116","0.0014","19.3311","0.0019","9.9202","0.0009","90","","90","","90","","2725.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27.5 H35 N O2 Si -","- C27.5 H35 N O2 Si -","- C110 H140 N4 O8 Si4 -","4","1","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4H-benzo[d][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.0722","0.0542","","","0.1481","0.1602","","","","","","1.025","","","","has coordinates","283182","2023-05-05","01:10:54",""
"1568688","9.521","0.003","12.367","0.003","11.509","0.003","90","","112.719","0.006","90","","1250","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N O2 Si -","- C30 H29 N O2 Si -","- C60 H58 N2 O4 Si2 -","2","1","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4H-benzo[d][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.082","0.0598","","","0.1253","0.1305","","","","","","0.908","","","","has coordinates","283182","2023-05-05","01:10:55",""
"1568689","9.572","0.003","12.507","0.005","17.419","0.006","108.613","0.001","90.26","0.007","92.416","0.001","1974.2","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 F N O2 Si -","- C21 H26 F N O2 Si -","- C84 H104 F4 N4 O8 Si4 -","4","2","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4H-benzo[d][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.1466","0.0828","","","0.2023","0.2222","","","","","","1.045","","","","has coordinates,has disorder","283182","2023-05-05","01:10:55",""
"1568690","9.145","0.002","19.109","0.005","15.052","0.004","90","","98.006","0.006","90","","2604.7","1.1","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H28 F3 N O4 S Si -","- C26 H28 F3 N O4 S Si -","- C104 H112 F12 N4 O16 S4 Si4 -","4","2","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4H-benzo[d][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.0645","0.0493","","","0.1167","0.1225","","","","","","0.989","","","","has coordinates","283182","2023-05-05","01:10:55",""
"1568691","12.8073","0.0011","12.8073","0.0011","11.5663","0.0014","90","","90","","120","","1643","0.3","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6GdTi3","","- C30 H30 Cl6 Gd Ti3 -","- C30 H30 Cl6 Gd Ti3 -","- C60 H60 Cl12 Gd2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl6(TiCp2)3].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0425","0.0356","","","0.0827","0.0889","","","","","","1.14","","","","has coordinates,has disorder","283166","2023-05-05","01:05:22",""
"1568692","12.7237","0.0004","12.7237","0.0004","11.3427","0.0005","90","","90","","120","","1590.28","0.1","100.15","","100.15","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6TbCl3","","- C30 H30 Cl6 Tb Ti3 -","- C30 H30 Cl6 Tb Ti3 -","- C60 H60 Cl12 Tb2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl6(TiCp2)3].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0317","0.0311","","","0.0776","0.0782","","","","","","1.042","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23",""
"1568693","12.7944","0.0003","21.4986","0.0005","12.9783","0.0003","90","","114.454","0.001","90","","3249.6","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","C30H30Cl6GdTi3","","- C30 H30 Cl6 Gd Ti3 -","- C30 H30 Cl6 Gd Ti3 -","- C120 H120 Cl24 Gd4 Ti12 -","4","1","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl6(TiCp2)3].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0234","0.0232","","","0.0584","0.0586","","","","","","1.117","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23",""
"1568694","12.8107","0.0018","12.8107","0.0018","11.571","0.002","90","","90","","120","","1644.6","0.4","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6Ti3Tb","","- C30 H30 Cl6 Tb Ti3 -","- C30 H30 Cl6 Tb Ti3 -","- C60 H60 Cl12 Tb2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl6(TiCp2)3].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0413","0.0338","","","0.083","0.09","","","","","","1.103","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23",""
"1568695","12.7286","0.0004","12.7286","0.0004","11.3424","0.0005","90","","90","","120","","1591.46","0.1","100","","100","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6GdTi3","","- C30 H30 Cl6 Gd Ti3 -","- C30 H30 Cl6 Gd Ti3 -","- C60 H60 Cl12 Gd2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl6(TiCp2)3].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0326","0.0305","","","0.0735","0.0742","","","","","","1.037","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23",""
"1568696","12.7966","0.0008","21.465","0.0013","12.975","0.0007","90","","114.419","0.002","90","","3245.2","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","C30H30Cl6TbTi3","","- C30 H30 Cl6 Tb Ti3 -","- C30 H30 Cl6 Tb Ti3 -","- C120 H120 Cl24 Tb4 Ti12 -","4","1","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl6(TiCp2)3].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0384","0.036","","","0.0929","0.095","","","","","","1.052","","","","has coordinates","283166","2023-05-05","01:05:23",""
"1568704","9.4276","0.0015","15.165","0.002","14.397","0.002","90","","98.778","0.008","90","","2034.2","0.5","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cl2 Mn N4 -","- C24 H16 Cl2 Mn N4 -","- C96 H64 Cl8 Mn4 N16 -","4","1","","Cai, Linxiang; Wang, Ying; Chen, Yayu; Chen, Hanhua; Yang, Tao; Zhang, Shuren; Guo, Zijian; Wang, Xiaoyong","Manganese(ii) complexes stimulate antitumor immunity via aggravating DNA damage and activating the cGAS-STING pathway.","Chemical science","2023","14","16","4375","4389","10.1039/d2sc06036a","","","1.34139","GaKα","","0.0932","0.0662","","","0.1771","0.2172","","","","","","1.037","","","","has coordinates","283165","2023-05-05","01:04:50",""
"1568706","10.1118","0.0012","10.1118","0.0012","18.832","0.003","90","","90","","120","","1667.6","0.4","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C24 H24 Fe N2 O6 -","- C24 H24 Fe N2 O6 -","- C72 H72 Fe3 N6 O18 -","3","1","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.1232","0.0609","","","0.0892","0.1075","","","","","","1.009","","","","has coordinates","283184","2023-05-05","01:11:20",""
"1568707","18.2429","0.0014","18.2429","0.0014","7.8233","0.0007","90","","90","","120","","2254.8","0.3","250","2","250","2","","","","","","","","5","P -3","-P 3","147","","","","- C26 H28 Fe N2 O6 -","- C26 H28 Fe N2 O6 -","- C78 H84 Fe3 N6 O18 -","3","0.5","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.0933","0.0504","","","0.1213","0.1384","","","","","","1.04","","","","has coordinates,has disorder","283184","2023-05-05","01:11:30",""
"1568708","7.9614","0.0008","12.0601","0.0012","13.2291","0.0013","90.645","0.004","93.67","0.003","90.906","0.004","1267.3","0.2","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Fe N2 O6 -","- C26 H28 Fe N2 O6 -","- C52 H56 Fe2 N4 O12 -","2","1","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.7288","synchrotron","","0.0403","0.0326","","","0.0871","0.0914","","","","","","1.057","","","","has coordinates","283184","2023-05-05","01:11:30",""
"1568709","18.092","0.001","18.092","0.001","7.801","0.0004","90","","90","","120","","2211.3","0.2","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C26 H28 Fe N2 O6 -","- C26 H28 Fe N2 O6 -","- C78 H84 Fe3 N6 O18 -","3","0.5","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.0765","0.0525","","","0.1132","0.1232","","","","","","1.037","","","","has coordinates,has disorder","283184","2023-05-05","01:11:30",""
"1568710","10.248","0.002","10.248","0.002","19.033","0.004","90","","90","","120","","1731.1","0.6","250","2","250","2","","","","","","","","5","P 31","P 31","144","","","","- C24 H24 Fe N2 O6 -","- C24 H24 Fe N2 O6 -","- C72 H72 Fe3 N6 O18 -","3","1","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.1867","0.0707","","","0.1051","0.1394","","","","","","1.012","","","","has coordinates","283184","2023-05-05","01:11:30",""
"1568711","12.4528","0.0003","9.0066","0.0003","20.1003","0.0006","90","","90.462","0.002","90","","2254.32","0.11","90","0.3","90","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 B N2 -","- C27 H31 B N2 -","- C108 H124 B4 N8 -","4","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0567","0.0445","","","0.1127","0.1194","","","","","","1.097","","","","has coordinates","284208","2023-06-05","03:54:13",""
"1568712","12.1599","0.0003","8.1094","0.0003","23.5966","0.0007","90","","101.497","0.003","90","","2280.16","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 B N O -","- C27 H34 B N O -","- C108 H136 B4 N4 O4 -","4","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0592","0.0469","","","0.1203","0.1274","","","","","","1.072","","","","has coordinates","284208","2023-06-05","03:54:13",""
"1568713","8.1627","0.0002","22.1971","0.0006","12.637","0.0004","90","","90.613","0.002","90","","2289.55","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 B N O -","- C27 H34 B N O -","- C108 H136 B4 N4 O4 -","4","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0564","0.0443","","","0.1143","0.1213","","","","","","1.066","","","","has coordinates","284208","2023-06-05","03:54:13",""
"1568714","9.551","0.0002","11.2401","0.0004","13.605","0.0003","75.998","0.002","84.321","0.002","80.055","0.002","1393.36","0.07","100","0.6","100","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C37 H36 B N -","- C37 H36 B N -","- C74 H72 B2 N2 -","2","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0578","0.0462","","","0.1184","0.1247","","","","","","1.101","","","","has coordinates","284208","2023-06-05","03:54:13",""
"1568715","8.5734","0.0003","14.764","0.0005","15.258","0.0006","68.839","0.004","87.111","0.003","78.724","0.003","1765.9","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H41 B Cl3 D N2 -","- C40 H41 B Cl3 D N2 -","- C80 H82 B2 Cl6 D2 N4 -","2","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","","0.71073","MoKα","","0.1305","0.1117","","","0.3332","0.3422","","","","","","1.077","","","","has coordinates","284208","2023-06-05","03:54:13",""
"1568716","11.6462","0.0005","8.726","0.0004","16.7421","0.0008","90","","108.62","0.002","90","","1612.35","0.13","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H34 P2 Si -","- C40 H34 P2 Si -","- C80 H68 P4 Si2 -","2","1","","Hou, Fei; Liu, Minjie; Ru, Tong; Tan, Zequn; Ning, Yingtang; Chen, Fen-Er","Chiral spirosiladiphosphines: ligand development and applications in Rh-catalyzed asymmetric hydrosilylation/cyclization of 1,6-enynes with enhanced reactivity.","Chemical science","2023","14","17","4641","4646","10.1039/d2sc06349b","","","1.34139","GaKα","","0.0355","0.0316","","","0.0751","0.0778","","","","","","1.035","","","","has coordinates","284209","2023-06-05","03:54:36",""
"1568717","9.9943","0.0014","20.42","0.003","20.447","0.003","90","","90","","90","","4172.9","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 Cl6 P2 Pd Si -","- C42 H38 Cl6 P2 Pd Si -","- C168 H152 Cl24 P8 Pd4 Si4 -","4","1","","Hou, Fei; Liu, Minjie; Ru, Tong; Tan, Zequn; Ning, Yingtang; Chen, Fen-Er","Chiral spirosiladiphosphines: ligand development and applications in Rh-catalyzed asymmetric hydrosilylation/cyclization of 1,6-enynes with enhanced reactivity.","Chemical science","2023","14","17","4641","4646","10.1039/d2sc06349b","","","1.34139","GaKα","","0.0251","0.0238","","","0.0522","0.0528","","","","","","1.054","","","","has coordinates","284209","2023-06-05","03:54:38",""
"1568718","13.7107","0.0002","16.2983","0.0003","21.2715","0.0003","94.494","0.001","95.456","0.001","112.361","0.002","4342.02","0.14","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C104 H84 O8 -","- C104 H84 O8 -","- C208 H168 O16 -","2","1","","He, Jing; Yu, Mo-Han; Lian, Zhe; Fan, Yan-Qing; Guo, Sheng-Zhu; Li, Xiao-Nan; Wang, Ying; Wang, Wen-Guang; Cheng, Zhi-Yun; Jiang, Hua","Lemniscular carbon nanohoops with contiguous conjugation from planar chiral [2.2]paracyclophane: influence of the regioselective synthesis on topological chirality.","Chemical science","2023","14","16","4426","4433","10.1039/d2sc06825g","","x-ray","1.54184","CuKα","","0.1037","0.0913","","","0.22","0.2275","","","","","","1.104","","","","has coordinates","283163","2023-05-05","01:04:25",""
"1568719","15.8108","0.001","27.4612","0.0019","18.3586","0.0011","90","","104.885","0.007","90","","7703.5","0.9","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C99 H60 -","- C96 H60 -","- C384 H240 -","4","1","","He, Jing; Yu, Mo-Han; Lian, Zhe; Fan, Yan-Qing; Guo, Sheng-Zhu; Li, Xiao-Nan; Wang, Ying; Wang, Wen-Guang; Cheng, Zhi-Yun; Jiang, Hua","Lemniscular carbon nanohoops with contiguous conjugation from planar chiral [2.2]paracyclophane: influence of the regioselective synthesis on topological chirality.","Chemical science","2023","14","16","4426","4433","10.1039/d2sc06825g","","x-ray","1.54184","CuKα","","0.1494","0.0874","","","0.2233","0.2625","","","","","","0.925","","","","has coordinates","283163","2023-05-05","01:04:26",""
"1568720","6.94728","0.00004","13.79687","0.00007","22.55057","0.00013","90","","90","","90","","2161.49","0.02","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O2 -","- C27 H26 N2 O2 -","- C108 H104 N8 O8 -","4","1","","Zhu, Bing-Ke; Xu, Hui; Xiao, Lu; Chang, Xin; Wei, Liang; Teng, Huailong; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang","Enantio- and diastereodivergent synthesis of fused indolizines enabled by synergistic Cu/Ir catalysis.","Chemical science","2023","14","15","4134","4142","10.1039/d3sc00118k","","x-ray","1.54184","CuKα","","0.0268","0.0263","","","0.0668","0.0673","","","","","","1.03","","","","has coordinates","283180","2023-05-05","01:10:17",""
"1568727","9.5248","0.0004","27.3332","0.0015","17.6167","0.0012","90","","91.785","0.005","90","","4584.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H69 B2 K O2 -","- C50 H69 B2 K O2 -","- C200 H276 B8 K4 O8 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1024","0.0611","","","0.1471","0.1685","","","","","","1.013","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568728","9.8879","0.0012","14.446","0.002","16.292","0.003","115.332","0.015","91.157","0.011","102.693","0.011","2034.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H58 B Cl Si -","- C46.003 H58.009 B Cl Si -","- C92.006 H116.018 B2 Cl2 Si2 -","2","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1227","0.0705","","","0.1721","0.2006","","","","","","1.034","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568729","14.9715","0.0005","21.0575","0.0004","17.4635","0.0005","90","","114.563","0.004","90","","5007.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H77 B2 K O2 -","- C54 H77 B2 K O2 -","- C216 H308 B8 K4 O8 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0668","0.0554","","","0.1404","0.1481","","","","","","1.05","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568730","17.759","0.0009","21.4676","0.0011","28.6119","0.0016","90","","104.031","0.006","90","","10582.6","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C110 H160 B4 K2 O7 -","- C110 H160 B4 K2 O7 -","- C440 H640 B16 K8 O28 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1141","0.0815","","","0.2193","0.248","","","","","","1.02","","","","has coordinates","284207","2023-06-05","03:53:47",""
"1568731","11.9232","0.0008","19.4217","0.0013","25.512","0.002","90","","91.836","0.008","90","","5904.8","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H93 B2 Li O4 -","- C62 H93 B2 Li O4 -","- C248 H372 B8 Li4 O16 -","4","2","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1579","0.0616","","","0.1093","0.1214","","","","","","0.749","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568732","11.9435","0.0008","24.517","0.002","15.0825","0.0012","90","","103.854","0.008","90","","4288","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 B Cl Si -","- C46 H60 B Cl Si -","- C184 H240 B4 Cl4 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1199","0.0582","","","0.1051","0.1271","","","","","","0.956","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568733","14.8477","0.0007","14.9915","0.0007","22.6511","0.0012","90","","100.094","0.004","90","","4963.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H75 B Cl O2.5 Si -","- C52 H75 B Cl O2.5 Si -","- C208 H300 B4 Cl4 O10 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0935","0.071","","","0.1709","0.1906","","","","","","1.163","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568734","14.9707","0.0012","21.1115","0.0013","17.2101","0.0016","90","","113.427","0.01","90","","4990.9","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H75 B2 K O2 -","- C54 H75 B2 K O2 -","- C216 H300 B8 K4 O8 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0893","0.0548","","","0.1293","0.147","","","","","","0.985","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568735","9.8384","0.0007","14.6699","0.0011","17.434","0.0013","92.485","0.006","98.376","0.006","102.215","0.006","2425.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H69 B Cl Si -","- C55 H69 B Cl Si -","- C110 H138 B2 Cl2 Si2 -","2","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1526","0.0749","","","0.1536","0.189","","","","","","1.014","","","","has coordinates","284207","2023-06-05","03:53:47",""
"1568736","9.6488","0.0004","12.5511","0.0005","27.859","0.001","90","","96.072","0.004","90","","3354.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 B Cl Si -","- C38 H44 B Cl Si -","- C152 H176 B4 Cl4 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0798","0.048","","","0.1078","0.1222","","","","","","1.012","","","","has coordinates","284207","2023-06-05","03:53:47",""
"1568737","17.8","0.0007","14.6788","0.0005","19.2967","0.0007","90","","96.263","0.003","90","","5011.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H77 B O3 Si -","- C54 H77 B O3 Si -","- C216 H308 B4 O12 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1217","0.0647","","","0.1659","0.1806","","","","","","0.863","","","","has coordinates","284207","2023-06-05","03:53:47",""
"1568738","20.34","0.005","11.791","0.003","22.744","0.006","90","","90","","90","","5455","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H39 B Si2 -","- C27 H39 B Si2 -","- C216 H312 B8 Si16 -","8","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0468","0.0382","","","0.1064","0.114","","","","","","1.073","","","","has coordinates","284214","2023-06-05","03:57:31",""
"1568739","11.975","0.002","14.7","0.003","14.916","0.003","90.82","0.003","103.725","0.003","90.717","0.003","2550.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H166 B2 Si4 -","- C103.988 H165.972 B2 Si4 -","- C103.988 H165.972 B2 Si4 -","1","0.5","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0691","0.0576","","","0.152","0.1608","","","","","","1.084","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34",""
"1568740","23.592","0.003","15.0926","0.0017","22.907","0.003","90","","118.969","0.002","90","","7135.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 B Cl2 Si3 -","- C34 H45 B Cl2 Si3 -","- C272 H360 B8 Cl16 Si24 -","8","2","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0425","0.0372","","","0.0939","0.0979","","","","","","1.031","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568741","8.7268","0.0004","11.9752","0.0005","16.8842","0.0008","72.238","0.002","79.568","0.002","73.411","0.002","1601.88","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H45 B Si2 -","- C34 H45 B Si2 -","- C68 H90 B2 Si4 -","2","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0437","0.0419","","","0.1174","0.1191","","","","","","1.056","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568742","12.085","0.002","21.926","0.004","22.008","0.004","76.903","0.003","74.67","0.003","83.086","0.003","5466.4","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H81 B Cl2 Si3 -","- C52 H81 B Cl2 Si3 -","- C208 H324 B4 Cl8 Si12 -","4","2","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0743","0.0478","","","0.1028","0.1143","","","","","","1.001","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568743","17.122","0.0014","15.7803","0.0013","20.5144","0.0017","90","","91.669","0.001","90","","5540.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H72 B Cl3 N2 Si3 -","- C53 H72 B Cl3 N2 Si3 -","- C212 H288 B4 Cl12 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.045","0.0348","","","0.0891","0.0968","","","","","","1.026","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568744","9.8784","0.0009","21.109","0.002","26.089","0.002","90","","93.79","0.002","90","","5428.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H81 B Cl2 N2 Si3 -","- C53 H81 B Cl2 N2 Si3 -","- C212 H324 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0698","0.0456","","","0.098","0.1095","","","","","","1.028","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568745","10.726","0.003","30.19","0.009","24.137","0.008","90","","98.286","0.005","90","","7734","4","100","1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H117 B Cl2 N2 Si3 -","- C79 H117 B Cl2 N2 Si3 -","- C316 H468 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.1046","0.0643","","","0.1678","0.1888","","","","","","1.026","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34",""
"1568746","11.9105","0.0007","20.2221","0.0009","14.3115","0.0007","90","","103.638","0.004","90","","3349.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 B Si3 -","- C34 H45 B Si3 -","- C136 H180 B4 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0657","0.0484","","","0.127","0.1341","","","","","","1.092","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34",""
"1568747","17.1027","0.0009","15.8004","0.0008","20.5088","0.0011","90","","91.84","0.003","90","","5539.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H75 B Cl2 N2 Si3 -","- C54 H75 B Cl2 N2 Si3 -","- C216 H300 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.046","0.0341","","","0.0881","0.0964","","","","","","1.021","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568748","15.9046","0.0013","16.4022","0.0014","23.053","0.002","90","","90","","90","","6013.8","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H81 B Cl2 N2 Si3 -","- C61 H81 B Cl2 N2 Si3 -","- C244 H324 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0422","0.0346","","","0.0802","0.0843","","","","","","1.045","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568749","14.8214","0.0011","26.3082","0.0018","17.7522","0.0013","90","","110.179","0.001","90","","6497.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H101.5 B N2 O0.25 Si3 -","- C67 H101.5 B N2 O0.25 Si3 -","- C268 H406 B4 N8 O Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0821","0.0503","","","0.1099","0.1269","","","","","","1.039","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34",""
"1568754","10.221","0.003","12.581","0.003","13.333","0.004","90","","90","","90","","1714.5","0.8","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","0.71073","MoKα","","0.0592","0.0424","","","0.0942","0.1007","","","","","","1.069","","","","has coordinates","284236","2023-06-05","04:07:59",""
"1568755","10.105","0.002","8.9547","0.0018","10.215","0.002","90","","110.038","0.01","90","","868.4","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C40 H42 N2 O8 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0446","0.0415","","","0.1027","0.1048","","","","","","1.074","","","","has coordinates,has disorder","284236","2023-06-05","04:08:00",""
"1568756","34.102","0.005","14.485","0.002","6.6087","0.0011","90","","94.96","0.01","90","","3252.3","0.9","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16.19 H20.19 Cl1.59 O5.5 -","- C16.1895 H20.1894 Cl1.5685 O5.5 -","- C129.516 H161.515 Cl12.548 O44 -","8","2","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0969","0.084","","","0.2207","0.2291","","","","","","1.065","","","","has coordinates,has disorder","284236","2023-06-05","04:08:00",""
"1568757","6.7649","0.0005","10.9273","0.0009","14.4629","0.0014","90","","103.394","0.005","90","","1040.05","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 O4 Si -","- C24 H30 O4 Si -","- C48 H60 O8 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0893","0.088","","","0.2288","0.2312","","","","","","1.071","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568758","9.0245","0.0013","13.383","0.002","16.329","0.003","90","","90","","90","","1972.1","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O9 -","- C19 H32 O9 -","- C76 H128 O36 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0315","0.0314","","","0.0874","0.0875","","","","","","1.087","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568759","6.3347","0.0003","12.3768","0.0005","30.9537","0.0013","90","","90","","90","","2426.87","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O4 Si -","- C25 H38 O4 Si -","- C100 H152 O16 Si4 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0341","0.0315","","","0.0776","0.0795","","","","","","1.045","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568760","6.1878","0.0004","14.9676","0.0014","17.511","0.002","90","","90","","90","","1621.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0369","0.0353","","","0.0889","0.0906","","","","","","1.048","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568761","7.267","0.003","9.667","0.003","15.436","0.004","90","","99.237","0.016","90","","1070.3","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 O4.16 Si -","- C24 H30 O4.166 Si -","- C48 H60 O8.332 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","0.71073","MoKα","","0.0494","0.0392","","","0.0861","0.0897","","","","","","1.024","","","","has coordinates,has disorder","284236","2023-06-05","04:08:00",""
"1568762","6.9085","0.0014","10.3765","0.0019","17.058","0.003","90","","90.92","0.007","90","","1222.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 O4 Si -","- C27 H34 O4 Si -","- C54 H68 O8 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","0.71073","MoKα","","0.0511","0.0401","","","0.0827","0.0865","","","","","","1.035","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568763","27.6163","0.0005","45.0146","0.0005","28.506","0.0004","90","","112.072","0.002","90","","32839.8","1","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C599 H792 F48 N40 O139 P8 -","- C599 H792 F48 N40 O139 P8 -","- C1198 H1584 F96 N80 O278 P16 -","2","0.5","","Zhong, Yulong; Sobiech, Thomas A.; Kauffmann, Brice; Song, Bo; Li, Xiaopeng; Ferrand, Yann; Huc, Ivan; Gong, Bing","High-affinity single and double helical pseudofoldaxanes with cationic guests.","Chemical science","2023","14","18","4759","4768","10.1039/d3sc00524k","","","1.54178","CuKα","","0.1605","0.1342","","","0.4","0.4258","","","","","","1.726","","","","has coordinates,has disorder","284235","2023-06-05","04:07:42",""
"1568764","41.464","0.002","37.476","0.002","43.38","0.002","90","","99.771","0.005","90","","66431","6","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C448 H312 F42 N40 O126 P7 -","- C448 H312 F42 N40 O126 P7 -","- C1792 H1248 F168 N160 O504 P28 -","4","0.5","","Zhong, Yulong; Sobiech, Thomas A.; Kauffmann, Brice; Song, Bo; Li, Xiaopeng; Ferrand, Yann; Huc, Ivan; Gong, Bing","High-affinity single and double helical pseudofoldaxanes with cationic guests.","Chemical science","2023","14","18","4759","4768","10.1039/d3sc00524k","","","1.54178","CuKα","","0.2999","0.221","","","0.5107","0.5612","","","","","","1.81","","","","has coordinates","284235","2023-06-05","04:07:43",""
"1568769","16.619","0.003","16.619","0.003","31.843","0.01","90","","90","","90","","8795","4","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C28 H21 Cu F6 N8 O4 Ti -","- C28 H21 Cu F6 N8 O4 Ti -","- C224 H168 Cu8 F48 N64 O32 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1176","0.0726","","","0.1992","0.2299","","","","","","1.112","","","","has coordinates,has disorder","283194","2023-05-05","01:16:14",""
"1568770","16.567","0.002","16.567","0.002","31.995","0.009","90","","90","","90","","8782","3","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C27 H22 Cu F6 N8 O4 Ti -","- C27 H22 Cu F6 N8 O4 Ti -","- C216 H176 Cu8 F48 N64 O32 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1373","0.0706","","","0.1679","0.1887","","","","","","1.072","","","","has coordinates","283194","2023-05-05","01:16:16",""
"1568771","16.5421","0.0004","16.5421","0.0004","31.7992","0.0014","90","","90","","90","","8701.6","0.5","293","2","293","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H28 Cu F6 N8 O8 Ti -","- C26 H28 Cu F6 N8 O8 Ti -","- C208 H224 Cu8 F48 N64 O64 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.0927","0.0773","","","0.227","0.2419","","","","","","1.083","","","","has coordinates","283194","2023-05-05","01:16:16",""
"1568772","16.848","0.005","16.848","0.005","31.093","0.017","90","","90","","90","","8826","6","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 Cu F6 N8 O4 Zr -","- C26 H20 Cu F6 N8 O4 Zr -","- C208 H160 Cu8 F48 N64 O32 Zr8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.0957","0.0583","","","0.1196","0.1283","","","","","","1.041","","","","has coordinates","283194","2023-05-05","01:16:16",""
"1568773","16.748","0.01","16.748","0.01","32.24","0.05","90","","90","","90","","9043","16","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 Cu F6 N8 O4 Ti -","- C26 H20 Cu F6 N8 O4 Ti -","- C208 H160 Cu8 F48 N64 O32 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1083","0.0604","","","0.1118","0.1211","","","","","","1.045","","","","has coordinates","283194","2023-05-05","01:16:16",""
"1568774","16.228","0.004","16.228","0.004","32.536","0.018","90","","90","","90","","8568","6","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 Cu F6 N8 O4 Si -","- C26 H20 Cu F6 N8 O4 Si -","- C208 H160 Cu8 F48 N64 O32 Si8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1293","0.0804","","","0.1806","0.2001","","","","","","1.04","","","","has coordinates","283194","2023-05-05","01:16:16",""
"1568775","16.034","0.002","23.766","0.003","11.388","0.003","90","","108.155","0.002","90","","4123.5","1.3","150","","150.01","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C50 H106 Au6 Cl8 Ga4 P6 -","- C50 H106 Au6 Cl8 Ga4 P6 -","- C100 H212 Au12 Cl16 Ga8 P12 -","2","0.25","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","0.71073","MoKα","","0.0637","0.0391","","","0.0882","0.1025","","","","","","1.043","","","","has coordinates,has disorder","283146","2023-05-05","00:48:14",""
"1568776","13.0624","0.001","15.2056","0.0011","21.0776","0.0016","92.022","0.002","98.393","0.002","91.024","0.002","4137.9","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H126 Au7 Cl6 Ga3 P6 -","- C54 H126 Au7 Cl6 Ga3 P6 -","- C108 H252 Au14 Cl12 Ga6 P12 -","2","1","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","0.71073","MoKα","","0.0472","0.0313","","","0.0681","0.0786","","","","","","1.076","","","","has coordinates,has disorder","283146","2023-05-05","00:48:16",""
"1568777","17.9369","0.0002","29.9431","0.0003","26.0812","0.0003","90","","99.9143","0.0012","90","","13798.7","0.3","100","0.13","100","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H207 Au13 Cl11 Ga6 P9 -","- C90 H207 Au13 Cl11 Ga6 P9 -","- C360 H828 Au52 Cl44 Ga24 P36 -","4","1","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","1.54184","CuKα","","0.0745","0.0526","","","0.127","0.1436","","","","","","1.054","","","","has coordinates,has disorder","283146","2023-05-05","00:48:16",""
"1568778","16.1624","0.0005","27.8938","0.0008","28.6686","0.001","90","","94.586","0.001","90","","12883.3","0.7","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H189 Au13 Cl10 Ga5 P9 -","- C81 H189 Au13 Cl10 Ga5 P9 -","- C324 H756 Au52 Cl40 Ga20 P36 -","4","1","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","0.71073","MoKα","","0.0619","0.0338","","","0.0637","0.0771","","","","","","1.08","","","","has coordinates,has disorder","283146","2023-05-05","00:48:16",""
"1568779","25.7587","0.0004","7.7074","0.0001","16.144","0.0003","90","","92.5083","0.0006","90","","3202.04","0.09","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 F3 N2 O4 S -","- C14 H15 F3 N2 O4 S -","- C112 H120 F24 N16 O32 S8 -","8","1","","Mavroskoufis, Andreas; Lohani, Manish; Weber, Manuela; Hopkinson, Matthew N.; Götze, Jan P","A (TD-)DFT study on photo-NHC catalysis: photoenolization/Diels-Alder reaction of acid fluorides catalyzed by N-heterocyclic carbenes.","Chemical science","2023","14","15","4027","4037","10.1039/d2sc04732b","","","0.71073","MoKα","","0.039","0.0357","","","0.089","0.0912","","","","","","1.059","","","","has coordinates","283179","2023-05-05","01:10:00",""
"1568780","9.6916","0.0002","13.1235","0.0002","13.3856","0.0002","90","","97.0695","0.0007","90","","1689.54","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 F3 O2 -","- C22 H15 F3 O2 -","- C88 H60 F12 O8 -","4","1","","Mavroskoufis, Andreas; Lohani, Manish; Weber, Manuela; Hopkinson, Matthew N.; Götze, Jan P","A (TD-)DFT study on photo-NHC catalysis: photoenolization/Diels-Alder reaction of acid fluorides catalyzed by N-heterocyclic carbenes.","Chemical science","2023","14","15","4027","4037","10.1039/d2sc04732b","","","0.71073","MoKα","","0.0355","0.0326","","","0.0796","0.0818","","","","","","1.066","","","","has coordinates","283179","2023-05-05","01:10:00",""
"1568781","9.2422","0.0007","11.4334","0.0007","14.3847","0.0012","87.244","0.002","72.344","0.002","78.948","0.001","1421.48","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 F3 O2 -","- C17 H13 F3 O2 -","- C68 H52 F12 O8 -","4","2","","Mavroskoufis, Andreas; Lohani, Manish; Weber, Manuela; Hopkinson, Matthew N.; Götze, Jan P","A (TD-)DFT study on photo-NHC catalysis: photoenolization/Diels-Alder reaction of acid fluorides catalyzed by N-heterocyclic carbenes.","Chemical science","2023","14","15","4027","4037","10.1039/d2sc04732b","","","1.54178","CuKα","","0.037","0.0362","","","0.0903","0.0909","","","","","","1.1","","","","has coordinates","283179","2023-05-05","01:10:00",""
"1568798","22.2542","0.0005","13.9368","0.0004","11.6414","0.0003","90","","108.465","0.001","90","","3424.72","0.15","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 Bi Br2 N3 Si2 -","- C30 H48 Bi Br2 N3 Si2 -","- C120 H192 Bi4 Br8 N12 Si8 -","4","0.5","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","1.54178","CuKα","","0.1586","0.1511","","","0.386","0.4076","","","","","","1.842","","","","has coordinates","283144","2023-05-05","00:45:47",""
"1568799","9.6987","0.0008","11.0671","0.0009","13.5493","0.0012","109.747","0.003","92.089","0.003","104.352","0.003","1314.5","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Bi2 Br4 N6 Si4 -","- C36 H48 Bi2 Br4 N6 Si4 -","- C36 H48 Bi2 Br4 N6 Si4 -","1","0.5","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","1.54178","CuKα","","0.0756","0.066","","","0.1736","0.184","","","","","","1.024","","","","has coordinates","283144","2023-05-05","00:45:47",""
"1568800","11.0336","0.0014","12.7111","0.0018","17.108","0.002","81.082","0.006","79.522","0.005","65.058","0.005","2131.1","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H57 Bi N3 O4 S2 -","- C45 H57 Bi N3 O4 S2 -","- C90 H114 Bi2 N6 O8 S4 -","2","1","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","0.71073","MoKα","","0.072","0.0503","","","0.1146","0.1335","","","","","","1.115","","","","has coordinates","283144","2023-05-05","00:45:47",""
"1568801","33.0206","0.001","10.3986","0.0003","29.787","0.0009","90","","90","","90","","10227.9","0.5","150","2","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C49 H75 Bi N5 O4 S2 -","- C49 H75 Bi N5 O4 S2 -","- C392 H600 Bi8 N40 O32 S16 -","8","1","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","1.54178","CuKα","","0.0376","0.0319","","","0.0695","0.0755","","","","","","1.102","","","","has coordinates,has disorder","283144","2023-05-05","00:45:47",""
"1568802","16.4085","0.0016","18.924","0.0019","19.8569","0.0019","83.424","0.004","89.804","0.004","66.363","0.004","5605.3","1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C112 H132 Bi2 Br4 N8 O8 S4 -","- C100 H120 Bi2 Br4 N8 O8 S4 -","- C200 H240 Bi4 Br8 N16 O16 S8 -","2","1","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","0.71073","MoKα","","0.0776","0.0528","","","0.1372","0.1674","","","","","","1.111","","","","has coordinates","283144","2023-05-05","00:45:47",""
"1568803","8.4705","0.0001","17.9094","0.0003","20.2338","0.0003","90","","90","","90","","3069.5","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(NDipp)2(CMe)2(C5H3N)]Co(CCH)","","- C35 H44 Co N3 -","- C35 H44 Co N3 -","- C140 H176 Co4 N12 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","0.71073","MoKα","","0.0484","0.0364","","","0.0721","0.0769","","","","","","1.068","","","","has coordinates","283145","2023-05-05","00:47:27",""
"1568804","10.4302","0.0001","24.0268","0.0002","12.3185","0.0001","90","","93.201","0.001","90","","3082.25","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[(NDipp)2(CMe)2(C5H3N)]Rh(CCH)","","- C35 H44 N3 Rh -","- C35 H44 N3 Rh -","- C140 H176 N12 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0302","0.0292","","","0.0741","0.0748","","","","","","1.102","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568805","12.9433","0.0002","15.1992","0.0003","20.7647","0.0003","76.385","0.002","79.845","0.002","87.162","0.002","3907.87","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{[(NDipp)2(CMe)2(C5H3N)]Co(CNtBu)2}[BArF4]","","- C75 H73 B Co F24 N5 -","- C75 H73 B Co F24 N5 -","- C150 H146 B2 Co2 F48 N10 -","2","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0609","0.0522","","","0.1383","0.147","","","","","","1.044","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568806","11.7885","0.0001","16.6101","0.0002","18.5455","0.0002","90","","99.763","0.001","90","","3578.77","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Na(THF)[(NDipp)2(CMe)(CCH2)(C5H3N)]Co(CCH)","","- C39 H51 Co N3 Na O -","- C39 H51 Co N3 Na O -","- C156 H204 Co4 N12 Na4 O4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.034","0.0301","","","0.0806","0.0831","","","","","","1.037","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568807","8.4966","0.0001","17.9973","0.0002","20.3635","0.0002","90","","90","","90","","3113.9","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(NDipp)2(CMe)2(C5H3N)]Rh(CP)","","- C34 H43 N3 P Rh -","- C34 H43 N3 P Rh -","- C136 H172 N12 P4 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0225","0.0214","","","0.0562","0.0569","","","","","","1.068","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568808","17.4943","0.0005","17.8665","0.0006","22.1081","0.0006","90","","104.528","0.003","90","","6689.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{[(NDipp)2(CMe)2(C5H3N)]Co(CO)}[BArF4]","","- C66 H55 B Co F24 N3 O -","- C66 H55 B Co F24 N3 O -","- C264 H220 B4 Co4 F96 N12 O4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","0.71073","MoKα","","0.0924","0.0614","","","0.1531","0.166","","","","","","1.061","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568809","14.3644","0.0002","15.5532","0.0002","16.5724","0.0002","91.085","0.001","102.787","0.001","99.37","0.001","3556.66","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{[(NDipp)2(CMe)2(C5H3N)]Co(CNtBu)}[BArF4]","","- C70 H64 B Co F24 N4 -","- C70 H64 B Co F24 N4 -","- C140 H128 B2 Co2 F48 N8 -","2","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0485","0.0458","","","0.1242","0.1266","","","","","","1.077","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568810","14.4106","0.0004","15.5555","0.0003","16.6974","0.0005","90.441","0.002","103.544","0.002","100.297","0.002","3575.45","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{[(NDipp)2(CMe)2(C5H3N)]Rh(CNtBu)}[BArF4]","","- C70 H64 B F24 N4 Rh -","- C70 H64 B F24 N4 Rh -","- C140 H128 B2 F48 N8 Rh2 -","2","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0447","0.0417","","","0.1085","0.1117","","","","","","1.019","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568811","17.514","0.0001","17.7479","0.0001","22.3688","0.0001","90","","104.161","0.001","90","","6741.76","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{[(NDipp)2(CMe)2(C5H3N)]Rh(CO)}[BArF4]","","- C66 H55 B F24 N3 O Rh -","- C66 H55 B F24 N3 O Rh -","- C264 H220 B4 F96 N12 O4 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0459","0.0411","","","0.108","0.1128","","","","","","1.06","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568812","17.5964","0.0002","17.6516","0.0002","22.6324","0.0002","90","","104.783","0.001","90","","6797.04","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{[(NDipp)2(CMe)2(C5H3N)]Rh(C2H4)}[BArF4]","","- C67 H59 B F24 N3 Rh -","- C67 H59 B F24 N3 Rh -","- C268 H236 B4 F96 N12 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0546","0.0477","","","0.1286","0.1366","","","","","","1.039","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568813","16.0874","0.0011","16.5041","0.001","17.143","0.0008","86.593","0.004","64.6","0.005","61.518","0.007","3553.1","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","[(NDipp)2(CMe)2(C5H3N)]RhMe","","- C37.25 H51.5 N3 Rh -","- C37.25 H51.5 N3 Rh -","- C149 H206 N12 Rh4 -","4","2","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0742","0.0574","","","0.149","0.1693","","","","","","1.031","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568814","17.3674","0.0001","29.7047","0.0002","23.9524","0.0001","90","","90","","90","","12356.9","0.12","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","{(NDipp)2(CMe)2(C5H3N)}RhCl*1.333THF*0.666pent","","- C41.666 H61.666 Cl N3 O1.333 Rh -","- C41.6667 H61.6667 Cl N3 O1.33333 Rh -","- C500 H740 Cl12 N36 O16 Rh12 -","12","1.5","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0415","0.038","","","0.0981","0.102","","","","","","1.036","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568828","13.3846","0.0008","6.8793","0.0004","14.7878","0.0008","90","","103.033","0.003","90","","1326.54","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Abel-Snape, Xavier; Johnson, Colton E.; Imbriaco, Bianca; Lautens, Mark","Synthesis of spirooxindoles via formal acetylene insertion into a common palladacycle intermediate.","Chemical science","2023","14","21","5650","5655","10.1039/d3sc01072d","","","1.54178","CuKα","","0.0384","0.0346","","","0.0881","0.09","","","","","","1.041","","","","has coordinates","284249","2023-06-05","04:14:43",""
"1568829","15.0119","0.0006","9.3425","0.0003","19.524","0.0008","90","","99.233","0.003","90","","2702.74","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl N O6 -","- C32 H26 Cl N O6 -","- C128 H104 Cl4 N4 O24 -","4","1","","Abel-Snape, Xavier; Johnson, Colton E.; Imbriaco, Bianca; Lautens, Mark","Synthesis of spirooxindoles via formal acetylene insertion into a common palladacycle intermediate.","Chemical science","2023","14","21","5650","5655","10.1039/d3sc01072d","","","1.54178","CuKα","","0.0875","0.0523","","","0.1228","0.1426","","","","","","1.023","","","","has coordinates,has disorder","284249","2023-06-05","04:14:46",""
"1568831","9.5629","0.0003","15.6651","0.0005","16.4537","0.0004","94.212","0.002","100.25","0.002","100.06","0.003","2374.26","0.12","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H31 Au N2 -","- C27 H31 Au N2 -","- C108 H124 Au4 N8 -","4","2","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0577","0.0485","","","0.1209","0.1298","","","","","","1.0687","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568832","16.0425","0.0001","12.1872","0.0001","20.8413","0.0002","90","","97.682","0.001","90","","4038.18","0.06","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Au F10 I2 N3 -","- C38 H30 Au F10 I2 N3 -","- C152 H120 Au4 F40 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0367","0.0351","","","0.0881","0.089","","","","","","1.0399","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568833","16.7868","0.0003","12.3101","0.0002","17.1432","0.0003","90","","103.35","0.002","90","","3446.87","0.11","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Au F4 I2 N3 -","- C32 H30 Au F4 I2 N3 -","- C128 H120 Au4 F16 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0497","0.0477","","","0.1317","0.134","","","","","","1.0204","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568834","10.9926","0.0002","16.4651","0.0003","18.3046","0.0003","90","","94.072","0.002","90","","3304.66","0.1","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H45 Au Cl2 N2 -","- C34 H45 Au Cl2 N2 -","- C136 H180 Au4 Cl8 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0498","0.0441","","","0.1163","0.1212","","","","","","1.0118","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568835","8.2965","0.0002","11.9629","0.0003","16.0732","0.0003","89.314","0.002","78.497","0.002","87.861","0.002","1562.12","0.06","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H39 Au N3 -","- C35 H39 Au N3 -","- C70 H78 Au2 N6 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0461","0.0444","","","0.1145","0.116","","","","","","1.0401","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568836","11.7863","0.0001","15.7956","0.0001","14.4268","0.0001","90","","94.919","0.001","90","","2675.97","0.03","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 Au N2 -","- C30 H37 Au N2 -","- C120 H148 Au4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0297","0.0271","","","0.067","0.0686","","","","","","1.031","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568837","16.69467","0.00019","12.23706","0.00011","16.78001","0.00016","90","","104.225","0.0011","90","","3322.94","0.06","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Au F4 I2 N3 -","- C32 H30 Au F4 I2 N3 -","- C128 H120 Au4 F16 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0376","0.0371","","","0.0958","0.0964","","","","","","1.0498","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568838","17.4227","0.0001","14.0371","0.0001","43.5602","0.0004","90","","90","","90","","10653.3","0.14","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Au N2 -","- C29 H35 Au N2 -","- C464 H560 Au16 N32 -","16","2","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0412","0.0351","","","0.0883","0.0924","","","","","","1.045","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568839","16.509","0.0003","12.9598","0.0002","16.9009","0.0002","90","","105.088","0.002","90","","3491.35","0.1","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 Au F4 I2 N2 -","- C35 H35 Au F4 I2 N2 -","- C140 H140 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0361","0.0345","","","0.0884","0.0898","","","","","","1.0288","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568840","13.0739","0.0001","14.95","0.0001","20.4687","0.0002","90","","104.803","0.001","90","","3867.92","0.06","133","","133","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H43 Au F4 I2 N2 -","- C39 H43 Au F4 I2 N2 -","- C156 H172 Au4 F16 I8 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0301","0.0279","","","0.0737","0.0753","","","","","","1.03","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568841","9.6128","0.0005","10.8509","0.0003","17.3973","0.0004","88.55","0.002","79.264","0.003","67.884","0.004","1649.72","0.12","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Au F5 I N2 -","- C35 H35 Au F5 I N2 -","- C70 H70 Au2 F10 I2 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0535","0.0501","","","0.1379","0.1418","","","","","","1.0264","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568842","16.3119","0.0002","13.8965","0.0001","16.6717","0.0002","90","","106.95","0.001","90","","3614.95","0.07","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H37 Au F4 I2 N2 -","- C36 H37 Au F4 I2 N2 -","- C144 H148 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0341","0.0337","","","0.0882","0.0887","","","","","","1.0411","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568843","18.47467","0.00018","10.43735","0.00009","17.53427","0.00017","90","","107.246","0.001","90","","3229.06","0.06","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Au F5 I N2 -","- C33 H31 Au F5 I N2 -","- C132 H124 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0423","0.0367","","","0.1","0.1045","","","","","","0.9977","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568844","16.4431","0.0001","13.9767","0.0001","16.9424","0.0001","90","","105.866","0.001","90","","3745.37","0.05","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H37 Au F4 I2 N2 -","- C36 H37 Au F4 I2 N2 -","- C144 H148 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0385","0.0378","","","0.0981","0.0991","","","","","","1.0385","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568845","11.32485","0.00005","13.6215","0.00007","23.47007","0.00011","90","","96.4045","0.0004","90","","3597.93","0.03","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Au F5 I N2 -","- C36 H37 Au F5 I N2 -","- C144 H148 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0244","0.0234","","","0.0584","0.059","","","","","","1.0468","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568846","10.3982","0.0001","10.703","0.0001","17.5621","0.0002","74.354","0.001","81.135","0.001","79.723","0.001","1840.28","0.03","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Au Cl2 F4 I2 N2 -","- C34 H33 Au Cl2 F4 I2 N2 -","- C68 H66 Au2 Cl4 F8 I4 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0479","0.0456","","","0.1153","0.1174","","","","","","1.0062","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568847","18.3269","0.0002","10.2984","0.0001","17.2337","0.0001","90","","106.86","0.001","90","","3112.84","0.05","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Au F5 I N2 -","- C33 H31 Au F5 I N2 -","- C132 H124 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0367","0.0344","","","0.0956","0.0977","","","","","","1.0305","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568848","10.7939","0.0001","15.2361","0.0001","13.1834","0.0001","90","","111.731","0.001","90","","2014.02","0.03","293","","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C39 H43 Au F4 I2 N2 -","- C39 H43 Au F4 I2 N2 -","- C78 H86 Au2 F8 I4 N4 -","2","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0389","0.037","","","0.0992","0.101","","","","","","1.0208","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568849","16.66","0.0001","13.0052","0.0001","17.1537","0.0001","90","","104.197","0.001","90","","3603.12","0.04","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 Au F4 I2 N2 -","- C35 H35 Au F4 I2 N2 -","- C140 H140 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0233","0.0225","","","0.057","0.0575","","","","","","1.0512","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568850","9.7941","0.0004","10.9878","0.0004","17.6423","0.0003","88.379","0.002","78.949","0.003","67.222","0.004","1715.85","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Au F5 I N2 -","- C35 H35 Au F5 I N2 -","- C70 H70 Au2 F10 I2 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0667","0.0608","","","0.1701","0.1768","","","","","","0.9977","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568851","13.0387","0.0003","14.9567","0.0002","20.4774","0.0004","90","","104.695","0.002","90","","3862.79","0.13","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H43 Au F4 I2 N2 -","- C39 H43 Au F4 I2 N2 -","- C156 H172 Au4 F16 I8 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0607","0.0514","","","0.1349","0.1426","","","","","","1.0198","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568852","11.4633","0.00005","13.75475","0.00006","23.61408","0.0001","90","","96.0965","0.0004","90","","3702.29","0.03","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Au F5 I N2 -","- C36 H37 Au F5 I N2 -","- C144 H148 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0284","0.0261","","","0.0687","0.0702","","","","","","1.0238","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568853","10.3331","0.0002","10.6351","0.0002","17.2876","0.0003","74.096","0.001","80.819","0.001","78.995","0.001","1781.87","0.06","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Au Cl2 F4 I2 N2 -","- C34 H33 Au Cl2 F4 I2 N2 -","- C68 H66 Au2 Cl4 F8 I4 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0406","0.0399","","","0.1033","0.1041","","","","","","1.0407","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568854","15.9833","0.0002","12.141","0.0001","20.265","0.0002","90","","97.592","0.001","90","","3898.02","0.07","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Au F10 I2 N3 -","- C38 H30 Au F10 I2 N3 -","- C152 H120 Au4 F40 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0321","0.0314","","","0.0801","0.0807","","","","","","1.0593","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568855","11.6468","0.0008","16.5589","0.0012","21.055","0.0017","90","","90","","90","","4060.6","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 N2 O8 S2 Si2 -","- C38 H46 N2 O8 S2 Si2 -","- C152 H184 N8 O32 S8 Si8 -","4","1","","Feng, Lili; Chen, Xiaofan; Guo, Ning; Zhou, Yuqiao; Lin, Lili; Cao, Weidi; Feng, Xiaoming","Visible-light-induced chemo-, diastereo- and enantioselective α-C(sp3)–H functionalization of alkyl silanes","Chemical Science","2023","14","17","4516","4522","10.1039/D3SC00919J","","","0.71073","MoKα","","0.0345","0.0328","","","0.0749","0.0759","","","","","","1.103","","","","has coordinates","283193","2023-05-05","01:15:13",""
"1568860","12.4506","0.0006","12.976","0.0006","16.2431","0.0006","74.198","0.004","73.222","0.004","63.566","0.004","2217.94","0.19","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H160 Ca2 N4 O2 -","- C88 H146 Ca2 N4 O2 -","- C88 H146 Ca2 N4 O2 -","1","0.5","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.0464","0.0439","","","0.1163","0.1194","","","","","","1.036","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58",""
"1568861","12.38232","0.00018","28.8484","0.0003","21.8547","0.0002","90","","93.1984","0.0012","90","","7794.56","0.16","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H134 Ca Mg N4 -","- C90 H134 Ca Mg N4 -","- C360 H536 Ca4 Mg4 N16 -","4","1","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.044","0.0362","","","0.0879","0.0928","","","","","","1.018","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58",""
"1568862","29.7787","0.0003","16.8207","0.0002","14.94992","0.00017","90","","90.0659","0.001","90","","7488.39","0.14","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H122 Ca2 N4 -","- C84 H122 Ca2 N4 -","- C336 H488 Ca8 N16 -","4","0.5","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.0377","0.035","","","0.089","0.0917","","","","","","1.041","","","","has coordinates","284239","2023-06-05","04:09:58",""
"1568863","21.5514","0.0003","13.0869","0.0002","29.0951","0.0004","90","","90","","90","","8206","0.2","100","0.3","100","0.3","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C94 H136 Ca Mg N4 -","- C94 H136 Ca Mg N4 -","- C376 H544 Ca4 Mg4 N16 -","4","1","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.0591","0.0523","","","0.1356","0.1425","","","","","","1.02","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58",""
"1568864","47.9193","0.0006","12.7914","0.0002","27.3845","0.0004","90","","98.7696","0.0012","90","","16589.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C92.85 H135.3 Ca2 N4 -","- C92.8432 H135.301 Ca2 N4 -","- C742.746 H1082.41 Ca16 N32 -","8","1","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","","1.54184","CuKα","","0.0457","0.0392","","","0.0974","0.1023","","","","","","1.041","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58",""
"1568865","5.6498","0.0002","9.6522","0.0003","22.2488","0.0006","90","","92.285","0.002","90","","1212.33","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H11 F21 O -","- C21 H11 F21 O -","- C42 H22 F42 O2 -","2","1","","Balletti, Matteo; Wachsmuth, Tommy; Di Sabato, Antonio; Hartley, Will C.; Melchiorre, Paolo","Enantioselective catalytic remote perfluoroalkylation of α-branched enals driven by light.","Chemical science","2023","14","18","4923","4927","10.1039/d3sc01347b","","","1.54178","CuKα","","0.0476","0.0444","","","0.1162","0.1184","","","","","","1.07","","","","has coordinates","284237","2023-06-05","04:08:08",""
"1568867","7.9377","0.001","9.5122","0.0012","14.8507","0.0019","97.129","0.003","98.579","0.003","105.788","0.003","1050.8","0.2","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 B N2 O2 -","- C28 H19 B N2 O2 -","- C56 H38 B2 N4 O4 -","2","1","","Zhang, Xue; Sukhanov, Andrey A.; Liu, Xi; Taddei, Maria; Zhao, Jianzhang; Harriman, Anthony; Voronkova, Violeta K.; Wan, Yan; Dick, Bernhard; Di Donato, Mariangela","Origin of intersystem crossing in highly distorted organic molecules: a case study with red light-absorbing N,N,O,O-boron-chelated Bodipys.","Chemical science","2023","14","19","5014","5027","10.1039/d3sc00854a","","","0.71073","MoKα","","0.1459","0.0659","","","0.1116","0.1362","","","","","","1.025","","","","has coordinates","284215","2023-06-05","03:57:59",""
"1568868","9.974","0.005","13.582","0.006","14.781","0.007","94.4","0.006","104.251","0.005","106.946","0.005","1832.5","1.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 N4 Pt -","- C42 H50 N4 Pt -","- C84 H100 N8 Pt2 -","2","1","","Nguyen, Yennie H.; Dang, Vinh Q.; Soares, João Vitor; Wu, Judy I.; Teets, Thomas S.","Efficient blue-phosphorescent trans-bis(acyclic diaminocarbene) platinum(ii) acetylide complexes.","Chemical science","2023","14","18","4857","4862","10.1039/d3sc00712j","","","0.71073","MoKα","","0.0284","0.0256","","","0.0686","0.0696","","","","","","1.136","","","","has coordinates","284233","2023-06-05","04:06:49",""
"1568869","9.2266","0.0016","9.97","0.0018","19.841","0.004","84.973","0.002","78.024","0.002","64.618","0.002","1613.1","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 N4 Pt -","- C38 H42 N4 Pt -","- C76 H84 N8 Pt2 -","2","1","","Nguyen, Yennie H.; Dang, Vinh Q.; Soares, João Vitor; Wu, Judy I.; Teets, Thomas S.","Efficient blue-phosphorescent trans-bis(acyclic diaminocarbene) platinum(ii) acetylide complexes.","Chemical science","2023","14","18","4857","4862","10.1039/d3sc00712j","","","0.71073","MoKα","","0.0439","0.0302","","","0.0544","0.0601","","","","","","1.044","","","","has coordinates","284233","2023-06-05","04:06:58",""
"1568870","20.5768","0.0007","16.8498","0.0004","22.4111","0.0008","90","","102.858","0.003","90","","7575.4","0.4","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H79 Cl Fe Ga N4 P5 Si -","- C54 H79 Cl Fe Ga N4 P5 Si -","- C216 H316 Cl4 Fe4 Ga4 N16 P20 Si4 -","4","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0776","0.0633","","","0.1505","0.1587","","","","","","1.045","","","","has coordinates","284238","2023-06-05","04:09:24",""
"1568871","10.233","0.002","12.188","0.002","18.128","0.006","83.16","0.02","75.84","0.02","74.802","0.016","2111.9","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H64 Cl Ga Ge N4 -","- C44 H64 Cl Ga Ge N4 -","- C88 H128 Cl2 Ga2 Ge2 N8 -","2","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.05","0.043","","","0.1136","0.1192","","","","","","1.053","","","","has coordinates","284238","2023-06-05","04:09:24",""
"1568872","26.1402","0.0008","17.811","0.0004","27.9689","0.0006","90","","90","","90","","13021.8","0.6","100","","100","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H93 Cl Fe Ga N4 P5 Si -","- C60 H93 Cl Fe Ga N4 P5 Si -","- C480 H744 Cl8 Fe8 Ga8 N32 P40 Si8 -","8","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0638","0.0399","","","0.0934","0.1035","","","","","","1.022","","","","has coordinates","284238","2023-06-05","04:09:24",""
"1568873","13.5496","0.0007","15.458","0.0008","16.9929","0.0009","91.392","0.004","107.271","0.004","110.499","0.004","3150.6","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H86 As5 Cl Fe Ga N4 Si -","- C57 H86 As5 Cl Fe Ga N4 Si -","- C114 H172 As10 Cl2 Fe2 Ga2 N8 Si2 -","2","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0567","0.0343","","","0.0761","0.0825","","","","","","1.028","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24",""
"1568874","15.3662","0.001","17.8212","0.0014","23.9686","0.0014","90","","106.448","0.005","90","","6295.1","0.8","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H86 As5 Cl Fe Ga N4 Si -","- C57 H86 As5 Cl Fe Ga N4 Si -","- C228 H344 As20 Cl4 Fe4 Ga4 N16 Si4 -","4","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0463","0.0309","","","0.0602","0.0658","","","","","","1.052","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24",""
"1568875","37.8546","0.0006","16.4222","0.0002","19.9888","0.0004","90","","96.796","0.001","90","","12338.8","0.3","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H79 As5 Cl D3 Fe Ga Ge N4 -","- C57 H79 As5 Cl D3 Fe Ga Ge N4 -","- C456 H632 As40 Cl8 D24 Fe8 Ga8 Ge8 N32 -","8","2","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0886","0.0599","","","0.1445","0.1671","","","","","","1.056","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24",""
"1568876","37.7246","0.0008","16.1228","0.0002","19.9295","0.0004","90","","96.801","0.002","90","","12036.3","0.4","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H79 Cl D3 Fe Ga N4 P5 Si -","- C57 H82 Cl Fe1.0003 Ga N4 P5.0015 Si -","- C456 H656 Cl8 Fe8.0024 Ga8 N32 P40.012 Si8 -","8","2","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.1118","0.0612","","","0.1182","0.1395","","","","","","1.055","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24",""
"1568877","20.8659","0.0013","11.4511","0.0009","8.7949","0.0005","90","","95.531","0.006","90","","2091.6","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O2 -","- C26 H24 N4 O2 -","- C104 H96 N16 O8 -","4","1","","Gong, Jianye; Liu, Lingxiu; Li, Chunbin; He, Yumao; Yu, Jia; Zhang, Ying; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Oxidization enhances type I ROS generation of AIE-active zwitterionic photosensitizers for photodynamic killing of drug-resistant bacteria.","Chemical science","2023","14","18","4863","4871","10.1039/d3sc00980g","","x-ray","0.71073","MoKα","","0.0903","0.0719","","","0.1739","0.1899","","","","","","1.067","","","","has coordinates","284234","2023-06-05","04:07:08",""
"1568878","21.2739","0.0012","11.0135","0.0008","8.6873","0.0005","90","","95.211","0.005","90","","2027","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O -","- C26 H24 N4 O -","- C104 H96 N16 O4 -","4","1","","Gong, Jianye; Liu, Lingxiu; Li, Chunbin; He, Yumao; Yu, Jia; Zhang, Ying; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Oxidization enhances type I ROS generation of AIE-active zwitterionic photosensitizers for photodynamic killing of drug-resistant bacteria.","Chemical science","2023","14","18","4863","4871","10.1039/d3sc00980g","","x-ray","0.71073","MoKα","","0.0505","0.042","","","0.0975","0.1039","","","","","","1.05","","","","has coordinates","284234","2023-06-05","04:07:09",""
"1568879","10.744","0.002","6.4582","0.0012","26.975","0.005","90","","90.886","0.006","90","","1871.5","0.6","276","2","276","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Nan, Jiang; Huang, Guanjie; Liu, Shilei; Wang, Jing; Ma, Yangmin; Luan, Xinjun","In(OTf)3-catalyzed reorganization/cycloaddition of two imine units and subsequent modular assembly of acridinium photocatalysts.","Chemical science","2023","14","19","5160","5166","10.1039/d3sc00163f","","","0.71073","MoKα","","0.2476","0.1243","","","0.2455","0.2928","","","","","","1.068","","","","has coordinates","284212","2023-06-05","03:55:31",""
"1568880","11.0488","0.0006","6.4191","0.0003","14.6827","0.0007","90","","99.43","0.002","90","","1027.27","0.09","276","2","276","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H21 N S -","- C28 H21 N S -","- C56 H42 N2 S2 -","2","1","","Nan, Jiang; Huang, Guanjie; Liu, Shilei; Wang, Jing; Ma, Yangmin; Luan, Xinjun","In(OTf)3-catalyzed reorganization/cycloaddition of two imine units and subsequent modular assembly of acridinium photocatalysts.","Chemical science","2023","14","19","5160","5166","10.1039/d3sc00163f","","","0.71073","MoKα","","0.0561","0.0411","","","0.0881","0.0961","","","","","","1.04","","","","has coordinates","284212","2023-06-05","03:55:34",""
"1568890","9.5447","0.0003","10.6072","0.0003","14.7411","0.0005","91.735","0.003","97.167","0.003","101.208","0.003","1450.24","0.08","232.99","0.1","232.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H25 Li N2 O -","- C12 H25 Li N2 O -","- C48 H100 Li4 N8 O4 -","4","2","","Zhou, Wei; Docherty, Scott R.; Ehinger, Christian; Zhou, Xiaoyu; Copéret, Christophe","The promotional role of Mn in CO2 hydrogenation over Rh-based catalysts from a surface organometallic chemistry approach.","Chemical science","2023","14","20","5379","5385","10.1039/d3sc01163a","","x-ray","1.54184","CuKα","","0.074","0.0663","","","0.2008","0.2093","","","","","","1.065","","","","has coordinates,has disorder","284225","2023-06-05","04:03:00",""
"1568891","10.7527","0.0004","10.0218","0.0003","30.3983","0.0011","90","","90","","90","","3275.8","0.2","230","0.1","230","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H29 N2 Rh -","- C16 H29 N2 Rh -","- C128 H232 N16 Rh8 -","8","1","","Zhou, Wei; Docherty, Scott R.; Ehinger, Christian; Zhou, Xiaoyu; Copéret, Christophe","The promotional role of Mn in CO2 hydrogenation over Rh-based catalysts from a surface organometallic chemistry approach.","Chemical science","2023","14","20","5379","5385","10.1039/d3sc01163a","","x-ray","1.54184","CuKα","","0.0384","0.0364","","","0.1018","0.1038","","","","","","1.043","","","","has coordinates,has disorder","284225","2023-06-05","04:03:00",""
"1568892","10.4362","0.0004","22.443","0.0008","18.2762","0.0007","90","","90","","90","","4280.6","0.3","230","0.1","230","0.1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36.5 H31 Cl3 F6 N2 O9 S2 -","- C35.8285 H30.172 Cl1.657 F6 N2 O9 S2 -","- C143.314 H120.688 Cl6.628 F24 N8 O36 S8 -","4","1","","Pham, Quoc Hoang; Tague, Andrew J.; Richardson, Christopher; Gardiner, Michael G.; Pyne, Stephen G.; Hyland, Christopher J. T.","Palladium-catalysed enantio- and regioselective (3 + 2) cycloaddition reactions of sulfamidate imine-derived 1-azadienes towards spirocyclic cyclopentanes.","Chemical science","2023","14","18","4893","4900","10.1039/d3sc01510f","","x-ray","0.71073","MoKα","","0.0876","0.0636","","","0.1717","0.1937","","","","","","1.032","","","","has coordinates,has disorder","284232","2023-06-05","04:06:37",""
"1568893","8.6488","0.0007","5.6835","0.0004","17.6333","0.0014","90","","91.157","0.006","90","","866.6","0.12","123.15","","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","1-Naph-imine","","","- C24 H19 N -","- C24 H19 N -","- C48 H38 N2 -","2","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.0757","0.0553","","","0.1311","0.1454","","","","","","1.06","","","","has coordinates","283143","2023-05-05","00:44:38",""
"1568894","5.8251","0.0002","8.9229","0.0003","26.3669","0.0009","90","","90","","90","","1370.47","0.08","123.15","","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fur-imine","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.0298","0.0289","","","0.0687","0.0691","","","","","","1.105","","","","has coordinates","283143","2023-05-05","00:44:48",""
"1568895","12.3374","0.0003","6.0658","0.0002","12.5814","0.0004","90","","100.849","0.007","90","","924.72","0.05","123.15","","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","1-Naph-aminonitrile","","","- C25 H20 N2 -","- C25 H20 N2 -","- C50 H40 N4 -","2","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.0486","0.0364","","","0.0751","0.0786","","","","","","1.01","","","","has coordinates","283143","2023-05-05","00:44:52",""
"1568896","6.9356","0.0002","8.626","0.0003","25.4183","0.0008","90","","90","","90","","1520.69","0.08","123.15","","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fur-aminonitrile","","","- C18.9 H15.9 N2 O -","- C18.898 H15.898 N2 O -","- C75.592 H63.592 N8 O4 -","4","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.04","0.0387","","","0.0965","0.0974","","","","","","1.061","","","","has coordinates,has disorder","283143","2023-05-05","00:44:53",""
"1568897","12.5347","0.0016","13.5209","0.0017","13.0674","0.0017","90","","93.446","0.003","90","","2210.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 Au Cl N2 -","- C19 H36 Au Cl N2 -","- C76 H144 Au4 Cl4 N8 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","ItOct (ItOctyl) - pushing the limits of ItBu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","1.54178","CuKα","","0.0207","0.0205","","","0.0484","0.0485","","","","","","1.212","","","","has coordinates","284217","2023-06-05","03:58:51",""
"1568898","12.6916","0.0006","13.503","0.0007","13.0909","0.0006","90","","95.351","0.004","90","","2233.67","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 Cl Cu N2 -","- C19 H36 Cl Cu N2 -","- C76 H144 Cl4 Cu4 N8 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","ItOct (ItOctyl) - pushing the limits of ItBu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.1333","0.0458","","","0.0884","0.1057","","","","","","0.824","","","","has coordinates","284217","2023-06-05","03:58:56",""
"1568899","12.9804","0.0003","13.4131","0.0003","13.1899","0.0003","90","","90.467","0.002","90","","2296.38","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 Ag Cl N2 -","- C19 H36 Ag Cl N2 -","- C76 H144 Ag4 Cl4 N8 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","ItOct (ItOctyl) - pushing the limits of ItBu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.0419","0.0275","","","0.0676","0.071","","","","","","0.985","","","","has coordinates","284217","2023-06-05","03:59:09",""
"1568900","12.694","0.0003","14.2272","0.0003","15.3472","0.0004","90","","90","","90","","2771.71","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 Cl3 N3 Pd -","- C24 H40 Cl3 N3 Pd -","- C96 H160 Cl12 N12 Pd4 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","ItOct (ItOctyl) - pushing the limits of ItBu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.0237","0.0185","","","0.038","0.0389","","","","","","0.94","","","","has coordinates","284217","2023-06-05","03:59:11",""
"1568901","32.8739","0.001","10.3807","0.0003","12.109","0.0003","90","","90","","90","","4132.2","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H36 N2 Se -","- C19 H36 N2 Se -","- C152 H288 N16 Se8 -","8","2","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","ItOct (ItOctyl) - pushing the limits of ItBu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.0783","0.0386","","","0.0792","0.0844","","","","","","0.839","","","","has coordinates","284217","2023-06-05","03:59:15",""
"1568902","9.4218","0.0005","12.996","0.0006","14.5646","0.0008","90.383","0.002","100.408","0.002","98.456","0.002","1733.95","0.16","302","2","302","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 N2 O -","- C46 H40 N2 O -","- C92 H80 N4 O2 -","2","1","","Zhang, Yunxi; Huang, Zhengmei; Yang, Yudong; Liu, Jiahui; Tian, Yang; Bin, Zhengyang; You, Jingsong","Molecular engineering of locked alkyl aryl carbonyl-based thermally activated delayed fluorescence emitters via a cascade C-H activation process.","Chemical science","2023","14","19","5125","5131","10.1039/d3sc01298k","","","0.71073","MoKα","","0.0988","0.0522","","","0.1229","0.1414","","","","","","1.022","","","","has coordinates","284210","2023-06-05","03:54:58",""
"1568903","8.8902","0.0014","12.895","0.002","14.568","0.002","67.108","0.005","72.348","0.006","76.144","0.006","1452","0.4","220","2","220","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H31 N O -","- C41 H31 N O -","- C82 H62 N2 O2 -","2","1","","Zhang, Yunxi; Huang, Zhengmei; Yang, Yudong; Liu, Jiahui; Tian, Yang; Bin, Zhengyang; You, Jingsong","Molecular engineering of locked alkyl aryl carbonyl-based thermally activated delayed fluorescence emitters via a cascade C-H activation process.","Chemical science","2023","14","19","5125","5131","10.1039/d3sc01298k","","","0.71073","MoKα","","0.0917","0.0516","","","0.1125","0.1307","","","","","","1.019","","","","has coordinates","284210","2023-06-05","03:54:58",""
"1568904","22.713","0.003","10.751","0.0012","16.371","0.002","90","","133.633","0.007","90","","2893.4","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C128 H128 N16 O32 -","8","1","","Maiti, Debajit; Saha, Argha; Guin, Srimanta; Maiti, Debabrata; Sen, Subhabrata","Unveiling catalyst-free electro-photochemical reactivity of aryl diazoesters and facile synthesis of oxazoles, imide-fused pyrroles and tetrahydro-epoxy-pyridines via carbene radical anions.","Chemical science","2023","14","23","6216","6225","10.1039/d3sc00089c","","","0.71073","MoKα","","0.0541","0.0447","","","0.1487","0.1572","","","","","","1.301","","","","has coordinates","284905","2023-07-05","09:48:26",""
"1568905","13.4772","0.001","8.9459","0.0007","15.8469","0.0009","90","","94.187","0.002","90","","1905.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Cl N2 O4 -","- C22 H19 Cl N2 O4 -","- C88 H76 Cl4 N8 O16 -","4","1","","Maiti, Debajit; Saha, Argha; Guin, Srimanta; Maiti, Debabrata; Sen, Subhabrata","Unveiling catalyst-free electro-photochemical reactivity of aryl diazoesters and facile synthesis of oxazoles, imide-fused pyrroles and tetrahydro-epoxy-pyridines via carbene radical anions.","Chemical science","2023","14","23","6216","6225","10.1039/d3sc00089c","","","0.71073","MoKα","","0.1011","0.0623","","","0.1328","0.1557","","","","","","1.134","","","","has coordinates","284905","2023-07-05","09:48:27",""
"1568906","11.153","0.003","9.171","0.003","18.019","0.006","90","","90","","90","","1843.1","1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C60 H96 N24 O12 -","4","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.056","0.0449","","","0.1027","0.1086","","","","","","1.007","","","","has coordinates","284211","2023-06-05","03:55:19",""
"1568907","11.2274","0.0013","9.2607","0.0012","18.166","0.002","90","","90","","90","","1888.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C60 H96 N24 O12 -","4","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.1081","0.0581","","","0.1381","0.1653","","","","","","1.038","","","","has coordinates,has disorder","284211","2023-06-05","03:55:19",""
"1568908","17.887","0.003","8.7802","0.0012","12.944","0.002","90","","108.215","0.005","90","","1931","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 N6 O4 -","- C15 H26 N6 O4 -","- C60 H104 N24 O16 -","4","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.0789","0.05","","","0.1228","0.1414","","","","","","1.029","","","","has coordinates,has disorder","284211","2023-06-05","03:55:19",""
"1568909","17.885","0.005","18.47","0.005","10.697","0.003","90","","90","","90","","3533.6","1.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C120 H192 N48 O24 -","8","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.2678","0.1183","","","0.3016","0.4135","","","","","","1.144","","","","has coordinates,has disorder","284211","2023-06-05","03:55:19",""
"1568910","18.146","0.004","10.719","0.002","18.54","0.004","90","","94.9","0.03","90","","3593","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C120 H192 N48 O24 -","8","2","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.1039","0.0525","","","0.1133","0.1385","","","","","","1.032","","","","has coordinates","284211","2023-06-05","03:55:19",""
"1568911","9.941","0.003","14.577","0.005","18.928","0.006","88.09","0.007","77.833","0.007","74.266","0.006","2580","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H39 N7 O14.5 Y2 -","- C54 H37 N7 O15 Y2 -","- C108 H74 N14 O30 Y4 -","2","1","","Wang, Xinrui; Clavier, Gilles; Zhang, Yan; Batra, Kamal; Xiao, Nanan; Maurin, Guillaume; Ding, Bin; Tissot, Antoine; Serre, Christian","A MOF/DNA luminescent sensing platform for detection of potential COVID-19 biomarkers and drugs.","Chemical science","2023","14","20","5386","5395","10.1039/d3sc00106g","","","0.71073","MoKα","","0.0872","0.0576","","","0.1526","0.1655","","","","","","1.047","","","","has coordinates,has disorder","284228","2023-06-05","04:03:57",""
"1568912","10.55","0.0009","10.051","0.0008","12.1412","0.001","90","","109.66","0.004","90","","1212.38","0.18","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H24 Fe N4 O2 -","- C29 H24 Fe N4 O2 -","- C58 H48 Fe2 N8 O4 -","2","1","","Zhou, Li; Li, Yankun; Li, Shunian; Shi, Zhenwei; Zhang, Xue; Tung, Chen-Ho; Xu, Zhenghu","Asymmetric rhodium-catalyzed click cycloaddition to access C-N axially chiral N-triazolyl indoles.","Chemical science","2023","14","19","5182","5187","10.1039/d3sc00610g","","","1.54178","CuKα","","0.0399","0.0299","","","0.0688","0.0706","","","","","","1.011","","","","has coordinates","284213","2023-06-05","03:55:58",""
"1568913","8.2557","0.0005","14.5568","0.0009","21.8087","0.0012","90","","90","","90","","2620.9","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N4 O3 S -","- C31 H26 N4 O3 S -","- C124 H104 N16 O12 S4 -","4","1","","Zhou, Li; Li, Yankun; Li, Shunian; Shi, Zhenwei; Zhang, Xue; Tung, Chen-Ho; Xu, Zhenghu","Asymmetric rhodium-catalyzed click cycloaddition to access C-N axially chiral N-triazolyl indoles.","Chemical science","2023","14","19","5182","5187","10.1039/d3sc00610g","","","1.54178","CuKα","","0.04","0.035","","","0.0842","0.0878","","","","","","1.104","","","","has coordinates","284213","2023-06-05","03:56:04",""
"1568914","15.3021","0.0005","14.6862","0.0004","29.0678","0.0009","90","","98.666","0.003","90","","6457.8","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Br2 O4 Si2 -","- C28 H44 Br2 O4 Si2 -","- C224 H352 Br16 O32 Si16 -","8","2","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1169","0.0768","","","0.1723","0.1841","","","","","","1.163","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568915","14.2291","0.0004","9.2419","0.0003","26.5165","0.0007","90","","96.382","0.003","90","","3465.41","0.18","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1517","0.0627","","","0.1736","0.2132","","","","","","1.009","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568916","14.187","0.0004","9.2501","0.0003","26.1208","0.0007","90","","95.646","0.002","90","","3411.23","0.17","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1273","0.0642","","","0.1206","0.1394","","","","","","1.009","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568917","14.226","0.0006","9.2521","0.0005","26.4803","0.001","90","","96.315","0.004","90","","3464.2","0.3","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1203","0.0561","","","0.1578","0.1897","","","","","","1.009","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568918","15.3539","0.0004","14.7515","0.0003","29.2022","0.0008","90","","98.737","0.002","90","","6537.3","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Br2 O4 Si2 -","- C28 H44 Br2 O4 Si2 -","- C224 H352 Br16 O32 Si16 -","8","2","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1336","0.0782","","","0.1829","0.1998","","","","","","1.131","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568919","14.2236","0.0006","9.2423","0.0004","26.4876","0.0009","90","","96.355","0.004","90","","3460.6","0.2","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1248","0.0569","","","0.1587","0.194","","","","","","1.013","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568920","14.2313","0.0006","9.2571","0.0005","26.487","0.0009","90","","96.271","0.004","90","","3468.5","0.3","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1168","0.0545","","","0.1558","0.1863","","","","","","1.015","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568928","36.6848","0.0004","36.6848","0.0004","36.6848","0.0004","90","","90","","90","","49369.5","0.9","293","2","293","2","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C94 H100 Al8 N24 O38 -","- C94 H108 Al8 N24 O36 -","- C1128 H1296 Al96 N288 O432 -","12","0.25","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.3405","GaKα","","0.07","0.0589","","","0.1402","0.1468","","","","","","1.051","","","","has coordinates,has disorder","284230","2023-06-05","04:04:45",""
"1568929","23.0719","0.0003","23.0719","0.0003","14.7983","0.0004","90","","90","","90","","7877.3","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C96 H80 Al8 N32 O40 -","- C96 H88 Al8 N32 O40 -","- C192 H176 Al16 N64 O80 -","2","0.125","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.3405","GaKα","","0.0842","0.0707","","","0.2046","0.2193","","","","","","0.988","","","","has coordinates","284230","2023-06-05","04:04:46",""
"1568930","22.85","0.0003","22.85","0.0003","14.9095","0.0004","90","","90","","90","","7784.6","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C124 H100 Al8 N32 O44 -","- C124 H108 Al8 N32 O44 -","- C248 H216 Al16 N64 O88 -","2","0.125","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.54184","CuKα","","0.1055","0.0967","","","0.267","0.2804","","","","","","1.21","","","","has coordinates","284230","2023-06-05","04:04:46",""
"1568931","36.617","0.0003","36.617","0.0003","36.617","0.0003","90","","90","","90","","49096.2","0.7","99.99","0.1","99.99","0.1","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C88 H88 Al8 N24 O36 -","- C88 H96 Al8 N24 O36 -","- C1056 H1152 Al96 N288 O432 -","12","0.25","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.54184","CuKα","","0.057","0.0521","","","0.1355","0.1392","","","","","","1.009","","","","has coordinates,has disorder","284230","2023-06-05","04:04:46",""
"1568937","16.1752","0.0002","8.3402","0.0001","16.1713","0.0002","90","","112.533","0.001","90","","2015.04","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Mo N4 O4 -","- C18 H24 Mo N4 O4 -","- C72 H96 Mo4 N16 O16 -","4","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","1.54184","CuKα","","0.0243","0.0238","","","0.0636","0.064","","","","","","1.054","","","","has coordinates","284219","2023-06-05","04:00:21",""
"1568938","29.705","0.006","9.751","0.002","14.098","0.003","90","","105.68","0.03","90","","3931.6","1.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Mo N4 O4 -","- C18 H20 Mo N4 O4 -","- C144 H160 Mo8 N32 O32 -","8","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.71073","MoKα","","0.0297","0.028","","","0.072","0.073","","","","","","1.117","","","","has coordinates","284219","2023-06-05","04:00:21",""
"1568939","12.6201","0.0003","23.4471","0.0005","14.4084","0.0003","90","","96.396","0.002","90","","4236.98","0.16","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C89 H108 Mg2 Mo N4 O10 -","- C89 H108 Mg2 Mo N4 O10 -","- C178 H216 Mg4 Mo2 N8 O20 -","2","0.5","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.71073","MoKα","","0.0376","0.0321","","","0.0809","0.0839","","","","","","1.029","","","","has coordinates,has disorder","284219","2023-06-05","04:00:21",""
"1568940","12.5268","0.0003","15.3082","0.0004","17.5288","0.0004","83.714","0.002","89.854","0.002","65.992","0.003","3048.85","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C130 H170 Mg4 N8 O8 -","- C130 H170 Mg4 N8 O8 -","- C130 H170 Mg4 N8 O8 -","1","0.5","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","1.54184","CuKα","","0.1008","0.0792","","","0.1998","0.2118","","","","","","1.121","","","","has coordinates","284219","2023-06-05","04:00:21",""
"1568941","12.471","0.003","23.565","0.005","29.107","0.006","90","","91.73","0.03","90","","8550","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H108 Mg2 Mo N6 O9 -","- C88 H108 Mg2 Mo N6 O9 -","- C352 H432 Mg8 Mo4 N24 O36 -","4","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.7109","Synchrotron","","0.0426","0.0388","","","0.108","0.1113","","","","","","1.029","","","","has coordinates","284219","2023-06-05","04:00:22",""
"1568942","12.18","0.002","17.74","0.004","19.44","0.004","87.54","0.03","87.79","0.03","87.49","0.03","4189.7","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C178 H254 Mg4 N12 O12 -","- C178 H254 Mg4 N12 O12 -","- C178 H254 Mg4 N12 O12 -","1","0.5","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.7109","Synchrotron","","0.0513","0.0437","","","0.1115","0.1182","","","","","","1.046","","","","has coordinates","284219","2023-06-05","04:00:22",""
"1568943","13.04","0.003","48.66","0.01","13.39","0.003","90","","113.04","0.03","90","","7819","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H102 Mg2 Mo N6 O9 -","- C81 H102 Mg2 Mo N6 O9 -","- C324 H408 Mg8 Mo4 N24 O36 -","4","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.7109","Synchrotron","","0.0625","0.0451","","","0.1157","0.1256","","","","","","1.033","","","","has coordinates","284219","2023-06-05","04:00:22",""
"1568944","10.152","0.0001","12.5705","0.0002","23.1569","0.0003","102.344","0.001","99.85","0.001","97.607","0.001","2800.15","0.07","100","0.12","100","0.12","","","","","","","","8","P -1","-P 1","2","","","","- C64 H54 B Cl4 F4 O Os P3 -","- C64 H54 B Cl4 F4 O Os P3 -","- C128 H108 B2 Cl8 F8 O2 Os2 P6 -","2","1","","Li, Qian; Fei, Jiawei; Ruan, Kaidong; Hua, Yuhui; Chen, Dafa; Luo, Ming; Xia, Haiping","Reshaping aromatic frameworks: expansion of aromatic system drives metallabenzenoids to metallapentalenes.","Chemical science","2023","14","21","5672","5680","10.1039/d3sc01491f","","x-ray","1.54184","CuKα","","0.0596","0.055","","","0.1463","0.1489","","","","","","1.06","","","","has coordinates,has disorder","284244","2023-06-05","04:11:36",""
"1568945","10.1361","0.0002","12.2229","0.0002","22.8285","0.0004","93.994","0.001","94.966","0.002","95.826","0.002","2794.32","0.09","99.98","0.13","99.98","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C64 H54 B Cl4 F4 Os P3 -","- C64 H54 B Cl4 F4 Os P3 -","- C128 H108 B2 Cl8 F8 Os2 P6 -","2","1","","Li, Qian; Fei, Jiawei; Ruan, Kaidong; Hua, Yuhui; Chen, Dafa; Luo, Ming; Xia, Haiping","Reshaping aromatic frameworks: expansion of aromatic system drives metallabenzenoids to metallapentalenes.","Chemical science","2023","14","21","5672","5680","10.1039/d3sc01491f","","x-ray","1.54184","CuKα","","0.0462","0.0434","","","0.1082","0.1097","","","","","","1.048","","","","has coordinates,has disorder","284244","2023-06-05","04:11:37",""
"1568946","12.7074","0.0001","15.8642","0.0001","19.7026","0.0001","108.227","0.001","96.231","0.001","98.117","0.001","3685.24","0.05","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C83 H72 Cl8 O2 Os P4 -","- C83 H72 Cl8 O2 Os P4 -","- C166 H144 Cl16 O4 Os2 P8 -","2","1","","Li, Qian; Fei, Jiawei; Ruan, Kaidong; Hua, Yuhui; Chen, Dafa; Luo, Ming; Xia, Haiping","Reshaping aromatic frameworks: expansion of aromatic system drives metallabenzenoids to metallapentalenes.","Chemical science","2023","14","21","5672","5680","10.1039/d3sc01491f","","x-ray","0.71073","MoKα","","0.0315","0.0267","","","0.0629","0.0642","","","","","","1.064","","","","has coordinates","284244","2023-06-05","04:11:37",""
"1568947","10.9449","0.0002","13.156","0.0005","14.6317","0.0006","77.386","0.003","82.198","0.003","89.881","0.002","2036.12","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 I N O3 S -","- C21 H22 I N O3 S -","- C84 H88 I4 N4 O12 S4 -","4","2","","Milosavljevic, Aleksa; Holt, Connor; Frontier, Alison J.","Nitrogen-interrupted halo-Prins/halo-Nazarov fragment coupling cascade for the synthesis of indolines.","Chemical science","2023","14","20","5431","5437","10.1039/d3sc00986f","","x-ray","1.54184","CuKα","","0.0819","0.0655","","","0.1814","0.1963","","","","","","1.059","","","","has coordinates","284222","2023-06-05","04:01:43",""
"1568948","10.3499","0.0002","11.4812","0.0002","11.8168","0.0002","83.79","0.002","76.551","0.002","65.058","0.002","1238.22","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 I N2 O5 S -","- C27 H25 I N2 O5 S -","- C54 H50 I2 N4 O10 S2 -","2","1","","Milosavljevic, Aleksa; Holt, Connor; Frontier, Alison J.","Nitrogen-interrupted halo-Prins/halo-Nazarov fragment coupling cascade for the synthesis of indolines.","Chemical science","2023","14","20","5431","5437","10.1039/d3sc00986f","","x-ray","1.54184","CuKα","","0.0292","0.0281","","","0.08","0.0807","","","","","","1.14","","","","has coordinates,has disorder","284222","2023-06-05","04:01:43",""
"1568949","10.0403","0.0003","10.7542","0.0003","13.6818","0.0002","82.958","0.002","72.346","0.002","62.821","0.003","1252.07","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 I N O3 S -","- C27 H32 I N O3 S -","- C54 H64 I2 N2 O6 S2 -","2","1","","Milosavljevic, Aleksa; Holt, Connor; Frontier, Alison J.","Nitrogen-interrupted halo-Prins/halo-Nazarov fragment coupling cascade for the synthesis of indolines.","Chemical science","2023","14","20","5431","5437","10.1039/d3sc00986f","","x-ray","1.54184","CuKα","","0.0294","0.0288","","","0.0727","0.0732","","","","","","1.092","","","","has coordinates,has disorder","284222","2023-06-05","04:01:43",""
"1568950","11.82272","0.00018","8.08217","0.0001","14.6182","0.0002","90","","111.144","0.0018","90","","1302.78","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0419","0.0401","","","0.1035","0.1052","","","","","","1.084","","","","has coordinates","284216","2023-06-05","03:58:15",""
"1568951","16.0584","0.0002","6.13979","0.00007","13.79498","0.00019","90","","107.514","0.0015","90","","1297.07","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0402","0.0376","","","0.0987","0.1011","","","","","","1.078","","","","has coordinates","284216","2023-06-05","03:58:22",""
"1568952","13.68696","0.00011","6.65657","0.00006","15.4851","0.00013","90","","101.535","0.0008","90","","1382.32","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br N O -","- C16 H18 Br N O -","- C64 H72 Br4 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0283","0.0278","","","0.0715","0.0719","","","","","","1.126","","","","has coordinates","284216","2023-06-05","03:58:24",""
"1568953","8.88043","0.00012","10.96832","0.00016","14.65499","0.00019","90","","101.387","0.0013","90","","1399.35","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Br N O -","- C16 H18 Br N O -","- C64 H72 Br4 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0236","0.0227","","","0.0575","0.058","","","","","","1.062","","","","has coordinates","284216","2023-06-05","03:58:25",""
"1568954","14.04898","0.00014","6.21142","0.00006","15.50317","0.00018","90","","106.125","0.0012","90","","1299.65","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.039","0.0379","","","0.0959","0.0967","","","","","","1.088","","","","has coordinates","284216","2023-06-05","03:58:25",""
"1568955","6.79993","0.00004","15.8969","0.00008","18.74294","0.0001","90","","90","","90","","2026.07","0.019","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Chang, Xin; Liu, Xue-Tao; Li, Fangfang; Yang, Yuhong; Chung, Lung Wa; Wang, Chun-Jiang","Electron-rich benzofulvenes as effective dipolarophiles in copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition of azomethine ylides.","Chemical science","2023","14","20","5460","5469","10.1039/d3sc00435j","","x-ray","1.54184","CuKα","","0.0312","0.0306","","","0.0812","0.0817","","","","","","1.046","","","","has coordinates","284224","2023-06-05","04:02:39",""
"1568956","10.764","0.0004","15.5751","0.0005","29.2364","0.0008","90","","90","","90","","4901.5","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H48 F6 N2 O4 -","- C62 H48 F6 N2 O4 -","- C248 H192 F24 N8 O16 -","4","1","","Chang, Xin; Liu, Xue-Tao; Li, Fangfang; Yang, Yuhong; Chung, Lung Wa; Wang, Chun-Jiang","Electron-rich benzofulvenes as effective dipolarophiles in copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition of azomethine ylides.","Chemical science","2023","14","20","5460","5469","10.1039/d3sc00435j","","x-ray","1.54184","CuKα","","0.052","0.0438","","","0.1159","0.1239","","","","","","1.109","","","","has coordinates,has disorder","284224","2023-06-05","04:02:50",""
"1568957","7.373","0.003","12.555","0.004","12.999","0.005","90","","95.859","0.012","90","","1197","0.8","100","","100","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C11 H24 Cu10 I8 N4 O4.33 S4 -","- C11 H24 Cu10 I8 N4 O4.3332 S4 -","- C11 H24 Cu10 I8 N4 O4.3332 S4 -","1","0.25","","Dutta, Camelia; Maniappan, Sonia; Kumar, Jatish","Delayed luminescence guided enhanced circularly polarized emission in atomically precise copper nanoclusters.","Chemical science","2023","14","21","5593","5601","10.1039/d3sc00686g","","","0.71073","MoKα","","0.0968","0.0685","","","0.1756","0.2021","","","","","","1.045","","","","has coordinates","284242","2023-06-05","04:10:26",""
"1568958","7.155","0.007","7.155","0.007","12.562","0.018","92.42","0.03","92.42","0.03","118.1","","565.4","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C2.5 H4 Cu2.5 I2 N0.5 O1.5 S -","- C2.5 H4 Cu2.5 I2 N0.5 O1.5 S -","- C5 H8 Cu5 I4 N O3 S2 -","2","1","","Dutta, Camelia; Maniappan, Sonia; Kumar, Jatish","Delayed luminescence guided enhanced circularly polarized emission in atomically precise copper nanoclusters.","Chemical science","2023","14","21","5593","5601","10.1039/d3sc00686g","","","0.71073","MoKα","","0.2766","0.1417","","","0.3482","0.4197","","","","","","1.14","","","","has coordinates,has disorder","284242","2023-06-05","04:10:27",""
"1568959","10.7293","0.0006","11.8938","0.0008","12.7361","0.0008","112.102","0.006","97.669","0.005","93.798","0.005","1480.33","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H90 Cl2 N4 O21 V6 -","- C44 H90 Cl2 N4 O21 V6 -","- C44 H90 Cl2 N4 O21 V6 -","1","0.5","","Salazar Marcano, David E.; Kalandia, Givi; Moussawi, Mhamad Aly; Van Hecke, Kristof; Parac-Vogt, Tatjana N","Rational synthesis of elusive organic-inorganic hybrid metal-oxo clusters: formation and post-functionalization of hexavanadates.","Chemical science","2023","14","20","5405","5414","10.1039/d3sc00038a","","x-ray","1.54184","CuKα","","0.0859","0.0547","","","0.1344","0.1567","","","","","","1.025","","","","has coordinates","284229","2023-06-05","04:04:09",""
"1568960","10.631","0.0001","19.74","0.0002","18.5098","0.0002","90","","90.019","0.001","90","","3884.39","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H110 Cl6 N4 O25 V6 -","- C56 H110 Cl6 N4 O25 V6 -","- C112 H220 Cl12 N8 O50 V12 -","2","0.5","","Salazar Marcano, David E.; Kalandia, Givi; Moussawi, Mhamad Aly; Van Hecke, Kristof; Parac-Vogt, Tatjana N","Rational synthesis of elusive organic-inorganic hybrid metal-oxo clusters: formation and post-functionalization of hexavanadates.","Chemical science","2023","14","20","5405","5414","10.1039/d3sc00038a","","x-ray","1.54184","CuKα","","0.0558","0.0418","","","0.0933","0.1057","","","","","","1.095","","","","has coordinates","284229","2023-06-05","04:04:09",""
"1568961","16.1374","0.0005","10.0281","0.0003","20.5528","0.0005","90","","112.651","0.0017","90","","3069.46","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 O6 -","- C38 H30 O6 -","- C152 H120 O24 -","4","1","","Rivera, Edris; Paul, Indrajit; Fajardo, Jr, Javier; Garcia-Garibay, Miguel A","Quantum chain amplification in nanocrystalline Dewar benzenes by intramolecular sensitization.","Chemical science","2023","14","21","5802","5810","10.1039/d3sc01074k","","","1.54178","CuKα","","0.0797","0.0686","","","0.1538","0.1586","","","","","","1.137","","","","has coordinates,has disorder","284241","2023-06-05","04:10:18",""
"1568962","6.8379","0.0003","16.3952","0.0005","22.7541","0.0008","90","","90","","90","","2550.93","0.16","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 N O5 S -","- C31 H23 N O5 S -","- C124 H92 N4 O20 S4 -","4","1","","Liu, Li-Xia; Bai, Yu-Qing; Li, Xiang; Yu, Chang-Bin; Zhou, Yong-Gui","Palladium-catalyzed asymmetric allenylic alkylation: construction of multiple chiral thiochromanone derivatives.","Chemical science","2023","14","20","5477","5482","10.1039/d3sc01060k","","","0.71073","MoKα","","0.0415","0.0366","","","0.0887","0.0925","","","","","","1.025","","","","has coordinates","284221","2023-06-05","04:01:29",""
"1568966","35.08","0.0007","36.9265","0.0007","34.8114","0.0006","90","","90","","90","","45094","1.5","100","2","100.15","","","","","","","","","5","C c m e","-C 2ac 2ac","64","","","","- Cs10 Fe30 Mo84 O382 P -","- Cs10 Fe30 Mo83.9992 O382 P -","- Cs40 Fe120 Mo335.997 O1528 P4 -","4","0.25","","Tamai, Nanako; Ogiwara, Naoki; Hayashi, Eri; Kamata, Keigo; Misawa, Toshiyuki; Ito, Takeru; Kojima, Tatsuhiro; Segado, Mireia; Petrus, Enric; Bo, Carles; Uchida, Sayaka","A redox-active inorganic crown ether based on a polyoxometalate capsule.","Chemical science","2023","14","20","5453","5459","10.1039/d3sc01077e","","","0.4132","synchrotron","","0.0905","0.0701","","","0.1797","0.1939","","","","","","1.021","","","","has coordinates,has disorder","284226","2023-06-05","04:03:28",""
"1568967","20.883","0.0007","27.5133","0.0009","33.7675","0.0011","90","","97.309","0.002","90","","19243.8","1.1","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C1158 H672 -","- C1158 H672 -","- C1158 H672 -","1","0.25","","Fang, Pengwei; Chen, Muqing; Yin, Nan; Zhuang, Guilin; Chen, Tianyun; Zhang, Xinyu; Du, Pingwu","Regulating supramolecular interactions in dimeric macrocycles.","Chemical science","2023","14","20","5425","5430","10.1039/d3sc00035d","","","1.34138","GaKα","","0.1055","0.0904","","","0.263","0.279","","","","","","1.039","","","","has coordinates,has disorder","284220","2023-06-05","04:01:17",""
"1568968","15.9267","0.0003","20.9291","0.0004","22.0491","0.0005","90.828","0.002","108.688","0.002","93.047","0.002","6948.5","0.3","100","0.1","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C176 H107 Cl2 -","- C176 H107 Cl2 -","- C352 H214 Cl4 -","2","1","","Fang, Pengwei; Chen, Muqing; Yin, Nan; Zhuang, Guilin; Chen, Tianyun; Zhang, Xinyu; Du, Pingwu","Regulating supramolecular interactions in dimeric macrocycles.","Chemical science","2023","14","20","5425","5430","10.1039/d3sc00035d","","","1.54184","CuKα","","0.1311","0.1178","","","0.341","0.3518","","","","","","1.028","","","","has coordinates,has disorder","284220","2023-06-05","04:01:17",""
"1568969","20.6555","0.0002","38.6556","0.0005","25.2345","0.0003","90","","105.331","0.001","90","","19431.5","0.4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C315 H110 -","- C315 H110 -","- C1260 H440 -","4","1","","Fang, Pengwei; Chen, Muqing; Yin, Nan; Zhuang, Guilin; Chen, Tianyun; Zhang, Xinyu; Du, Pingwu","Regulating supramolecular interactions in dimeric macrocycles.","Chemical science","2023","14","20","5425","5430","10.1039/d3sc00035d","","","1.54184","CuKα","","0.1629","0.1416","","","0.4175","0.4408","","","","","","1.063","","","","has coordinates,has disorder","284220","2023-06-05","04:01:17",""
"1568970","9.5099","0.0002","18.1304","0.0003","14.0225","0.0002","90","","105.611","0.002","90","","2328.55","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-allyl (2-benzhydryl-5-chloro-1-(2-oxooxazolidin-3-yl)pent-1-en-1-yl) carbonate","","- C25 H26 Cl N O5 -","- C25 H26 Cl N O5 -","- C100 H104 Cl4 N4 O20 -","4","1","","Xiao, Yuanjiu; Tang, Lei; Xu, Tong-Tong; Sheng, Jiang-Yi-Hui; Zhou, Zhongyan; Yue, Lei; Wang, Guoqiang; Oestreich, Martin; Feng, Jian-Jun","Atom-economic and stereoselective catalytic synthesis of fully substituted enol esters/carbonates of amides in acyclic systems enabled by boron Lewis acid catalysis.","Chemical science","2023","14","21","5608","5618","10.1039/d3sc01394d","","x-ray","1.54184","CuKα","","0.0393","0.0363","","","0.0899","0.0918","","","","","","1.057","","","","has coordinates","284246","2023-06-05","04:13:34",""
"1568971","9.783","0.0018","10.941","0.002","22.744","0.004","90","","90","","90","","2434.4","0.8","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-1-(2-oxooxazolidin-3-yl)-2,3,3-triphenylprop-1-en-1-yl 4-fluorobenzoate","","- C31 H24 F N O4 -","- C31 H24 F N O4 -","- C124 H96 F4 N4 O16 -","4","1","","Xiao, Yuanjiu; Tang, Lei; Xu, Tong-Tong; Sheng, Jiang-Yi-Hui; Zhou, Zhongyan; Yue, Lei; Wang, Guoqiang; Oestreich, Martin; Feng, Jian-Jun","Atom-economic and stereoselective catalytic synthesis of fully substituted enol esters/carbonates of amides in acyclic systems enabled by boron Lewis acid catalysis.","Chemical science","2023","14","21","5608","5618","10.1039/d3sc01394d","","","0.71073","MoKα","","0.092","0.0714","","","0.1716","0.198","","","","","","1.082","","","","has coordinates","284246","2023-06-05","04:13:35",""
"1568972","10.1202","0.0005","16.297","0.0008","10.7828","0.0005","90","","107.539","0.002","90","","1695.72","0.14","100","2","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C29 H45 B Cl5 Ga N2 -","- C29 H45 B Cl5 Ga N2 -","- C58 H90 B2 Cl10 Ga2 N4 -","2","0.5","","Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.","Taming the parent oxoborane.","Chemical science","2023","14","22","5894","5898","10.1039/d3sc01544k","","","0.71073","MoKα","","0.0476","0.0394","","","0.0932","0.0989","","","","","","1.028","","","","has coordinates","284892","2023-07-05","09:41:59",""
"1568973","10.6403","0.0013","16.18","0.002","10.8244","0.0012","90","","111.793","0.004","90","","1730.3","0.4","100","","100","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C29 H43 B Cl5 Ga N2 O2 -","- C29 H43 B Cl5 Ga N2 O2 -","- C58 H86 B2 Cl10 Ga2 N4 O4 -","2","0.5","","Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.","Taming the parent oxoborane.","Chemical science","2023","14","22","5894","5898","10.1039/d3sc01544k","","","0.71073","MoKα","","0.0738","0.0711","","","0.1884","0.1899","","","","","","1.128","","","","has coordinates","284892","2023-07-05","09:42:00",""
"1568974","10.613","0.004","11.052","0.004","18.616","0.007","76.655","0.013","88.743","0.012","66.846","0.013","1947.7","1.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H41 B Cl6 Ga2 N2 O -","- C28 H41 B Cl6 Ga2 N2 O -","- C56 H82 B2 Cl12 Ga4 N4 O2 -","2","1","","Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.","Taming the parent oxoborane.","Chemical science","2023","14","22","5894","5898","10.1039/d3sc01544k","","","0.71073","MoKα","","0.0741","0.053","","","0.1313","0.1423","","","","","","1.038","","","","has coordinates","284892","2023-07-05","09:42:00",""
"1568978","13.745","0.004","17.557","0.005","25.813","0.01","90","","90","","90","","6229","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 Bi3 F9 N4 O17 S3 -","- C52 H50 Bi3 F9 N4 O17 S3 -","- C208 H200 Bi12 F36 N16 O68 S12 -","4","1","","Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin","Insertion of CO2 and CS2 into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.","Chemical science","2023","14","19","5214","5219","10.1039/d3sc01635h","","","0.71073","MoKα","","0.0263","0.0231","","","0.0541","0.0552","","","","","","1.028","","","","has coordinates,has disorder","284218","2023-06-05","03:59:31",""
"1568979","17.7035","0.0014","24.613","0.002","14.9608","0.0012","90","","90","","90","","6519","0.9","100","2","100","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C22 H27 Bi F3 N O6 S3 -","- C22 H27 Bi F3 N O6 S3 -","- C176 H216 Bi8 F24 N8 O48 S24 -","8","1","","Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin","Insertion of CO2 and CS2 into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.","Chemical science","2023","14","19","5214","5219","10.1039/d3sc01635h","","","0.71073","MoKα","","0.0304","0.0218","","","0.0522","0.0558","","","","","","1.053","","","","has coordinates,has disorder","284218","2023-06-05","03:59:31",""
"1568980","10.16","0.006","18.258","0.013","14.044","0.008","90","","109.56","0.03","90","","2455","3","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Bi F3 N O5 S -","- C23 H29 Bi F3 N O5 S -","- C92 H116 Bi4 F12 N4 O20 S4 -","4","1","","Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin","Insertion of CO2 and CS2 into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.","Chemical science","2023","14","19","5214","5219","10.1039/d3sc01635h","","","0.71073","MoKα","","0.03","0.0262","","","0.0674","0.0698","","","","","","0.898","","","","has coordinates","284218","2023-06-05","03:59:31",""
"1568986","9.9704","0.0008","21.4506","0.001","9.7628","0.0005","90","","100.735","0.006","90","","2051.4","0.2","152.95","0.1","152.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O S -","- C25 H24 N2 O S -","- C100 H96 N8 O4 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0789","0.0677","","","0.178","0.1891","","","","","","1.049","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568987","8.7409","0.0002","13.9118","0.0003","15.9596","0.0004","90","","89.742","0.002","90","","1940.69","0.08","154","4","154","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C96 H72 N8 O4 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0557","0.053","","","0.1416","0.1445","","","","","","1.025","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568988","5.5494","0.0008","12.9584","0.0018","13.437","0.002","90","","95.222","0.013","90","","962.3","0.2","153","0.1","153","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C46 H40 N4 O2 S2 -","2","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.093","0.0816","","","0.2222","0.2346","","","","","","1.087","","","","has coordinates,has disorder","284248","2023-06-05","04:14:29",""
"1568989","7.1543","0.0002","11.4783","0.0004","23.2717","0.0009","90","","90","","90","","1911.05","0.11","153","1","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N3 O S -","- C23 H17 N3 O S -","- C92 H68 N12 O4 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0535","0.0493","","","0.1307","0.1355","","","","","","1.065","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568990","15.6601","0.0002","7.171","0.0001","12.7203","0.0001","90","","96.163","0.001","90","","1420.22","0.03","153","0.1","153","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0309","0.0301","","","0.0842","0.085","","","","","","1.068","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568991","12.1913","0.0002","22.6255","0.0003","13.0947","0.0002","90","","97.309","0.001","90","","3582.62","0.09","153","0.1","153","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H12 N2 O S -","- C23 H12 N2 O S -","- C184 H96 N16 O8 S8 -","8","2","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0513","0.0446","","","0.1111","0.1164","","","","","","1.02","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568992","8.5323","0.0005","9.6457","0.0006","13.8826","0.0008","90","","84.748","0.003","90","","1137.74","0.12","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H22 Br8 N2 Te -","- C8 H22 Br8 N2 Te -","- C16 H44 Br16 N4 Te2 -","2","1","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual cis-/anti-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","0.71073","MoKα","","0.0633","0.0604","","","0.1728","0.1754","","","","","","1.065","","","","has coordinates","284890","2023-07-05","09:39:27",""
"1568993","17.227","0.0002","9.6868","0.0001","14.0647","0.0002","90","","90","","90","","2347.04","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H22 Br8 N2 Sn -","- C8 H22 Br8 N2 Sn -","- C32 H88 Br32 N8 Sn4 -","4","1","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual cis-/anti-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","1.54184","CuKα","","0.0417","0.0406","","","0.1103","0.1121","","","","","","1.054","","","","has coordinates,has disorder","284890","2023-07-05","09:39:39",""
"1568994","8.7336","0.0008","9.84","0.0008","13.8013","0.001","90","","90","","90","","1186.06","0.17","325","","325","","","","","","","","","5","P m 21 n","P -2ab -2","31","","","","- C8 H22 Br8 N2 Te -","- C7.5 H22 Br8 N2 Te -","- C15 H44 Br16 N4 Te2 -","2","0.5","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual cis-/anti-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","1.34138","GaKα","","0.115","0.0823","","","0.245","0.2933","","","","","","0.993","","","","has coordinates,has disorder","284890","2023-07-05","09:39:42",""
"1568995","8.7521","0.0007","9.7104","0.0006","14.0201","0.0011","90","","94.43","0.008","90","","1187.96","0.15","350","2","350","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H22 Br8 N2 Sn -","- C8 H22 Br8 N2 Sn -","- C16 H44 Br16 N4 Sn2 -","2","1","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual cis-/anti-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","1.54184","CuKα","","0.0885","0.0796","","","0.2463","0.2553","","","","","","1.066","","","","has coordinates,has disorder","284890","2023-07-05","09:39:53",""
"1568996","17.9138","0.0006","6.1604","0.0002","15.2956","0.0006","90","","106.418","0.004","90","","1619.14","0.1","150","0.1","150","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H25 O2.5 -","- C18 H25 O2.5 -","- C72 H100 O10 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from Psoralea corylifolia.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0626","0.0562","","","0.1412","0.1477","","","","","","1.041","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1568997","6.55997","0.00012","14.3262","0.0003","17.4645","0.0004","90","","90","","90","","1641.3","0.06","149.95","0.1","149.95","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from Psoralea corylifolia.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.058","0.0541","","","0.1472","0.1513","","","","","","1.043","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1568998","6.1934","0.0002","13.5942","0.0004","20.6761","0.0006","90","","90","","90","","1740.81","0.09","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from Psoralea corylifolia.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0615","0.0519","","","0.1406","0.1477","","","","","","1.103","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1568999","6.0277","0.0001","10.7851","0.0002","25.2404","0.0004","90","","90","","90","","1640.86","0.05","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from Psoralea corylifolia.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0814","0.0792","","","0.1914","0.1933","","","","","","1.068","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1569000","15.3362","0.0003","6.9513","0.00012","16.3195","0.0003","90","","101.082","0.0018","90","","1707.32","0.06","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H56 O7 -","- C37 H56 O7 -","- C74 H112 O14 -","2","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from Psoralea corylifolia.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0421","0.0401","","","0.1058","0.1075","","","","","","1.06","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1569001","25.3714","0.0005","6.05801","0.0001","23.3168","0.0005","90","","112.787","0.002","90","","3304.09","0.12","150","0.1","150","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C38 H52 O4 -","- C38 H52 O4 -","- C152 H208 O16 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from Psoralea corylifolia.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0474","0.0446","","","0.1146","0.1169","","","","","","1.069","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1569002","9.5123","0.0001","11.7533","0.0002","16.8232","0.0002","109.487","0.001","90.441","0.001","100.671","0.001","1737.54","0.04","149.99","0.1","149.99","0.1","","","","","","","","3","P 1","P 1","1","","","","- C76 H104 O12 -","- C76 H104 O12 -","- C76 H104 O12 -","1","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from Psoralea corylifolia.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0592","0.0558","","","0.1413","0.144","","","","","","1.026","","","","has coordinates,has disorder","284243","2023-06-05","04:11:18",""
"1569003","13.6165","0.0006","25.2859","0.001","13.6152","0.0005","90","","90","","90","","4687.8","0.3","173","","173","","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C12 H26 Cl3 Cu2 N4 O6 P3 -","- C12 H26 Cl3 Cu2 N4 O6 P3 -","- C96 H208 Cl24 Cu16 N32 O48 P24 -","8","0.5","","Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing","Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.","Chemical science","2023","14","20","5415","5424","10.1039/d3sc01762a","","x-ray","0.71073","MoKα","","0.0319","0.0271","","","0.062","0.0645","","","","","","1.032","","","","has coordinates","284227","2023-06-05","04:03:48",""
"1569004","13.8592","0.0005","13.8592","0.0005","13.1579","0.0007","90","","90","","90","","2527.34","0.19","193","","193","","","","","","","","","7","P 4/m","-P 4","83","","","","- C12 H20 Cu2 I3 N4 O6 P3 -","- C12 H20 Cu2 I3 N4 O6 P3 -","- C48 H80 Cu8 I12 N16 O24 P12 -","4","0.5","","Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing","Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.","Chemical science","2023","14","20","5415","5424","10.1039/d3sc01762a","","x-ray","0.71073","MoKα","","0.138","0.1364","","","0.3418","0.3424","","","","","","1.122","","","","has coordinates,has disorder","284227","2023-06-05","04:03:48",""
"1569005","13.669","0.0006","13.669","0.0006","51.32","0.003","90","","90","","90","","9588.7","0.8","173","","173","","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C12 H26 Br3 Cu2 N4 O6 P3 -","- C12 H26 Br3 Cu2 N4 O6 P3 -","- C192 H416 Br48 Cu32 N64 O96 P48 -","16","0.5","","Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing","Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.","Chemical science","2023","14","20","5415","5424","10.1039/d3sc01762a","","x-ray","0.71073","MoKα","","0.0402","0.0323","","","0.0797","0.084","","","","","","1.077","","","","has coordinates","284227","2023-06-05","04:03:48",""
"1569006","31.6991","0.0018","18.5153","0.0009","15.1604","0.0008","90","","94.55","0.002","90","","8869.9","0.8","120","2","120.06","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H62 Cl2 Ge N3 -","- C47 H62 Cl2 Ge N3 -","- C376 H496 Cl16 Ge8 N24 -","8","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","0.71073","MoKα","","0.0535","0.0428","","","0.1101","0.1172","","","","","","1.0575","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14",""
"1569007","12.7334","0.0007","13.204","0.003","14.396","0.0006","98.596","0.005","101.664","0.003","96.759","0.006","2316.3","0.6","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H72 Ge N3 -","- C51 H72 Ge N3 -","- C102 H144 Ge2 N6 -","2","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34138","GaKα","","0.0398","0.0383","","","0.0995","0.1008","","","","","","1.054","","","","has coordinates","284245","2023-06-05","04:13:14",""
"1569008","14.4571","0.0007","42.796","0.002","15.4362","0.0009","90","","94.595","0.003","90","","9519.8","0.8","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C108.28 H157.32 Li6 N6 -","- C94 H124 Li6 N6 -","- C376 H496 Li24 N24 -","4","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","GaKα","","0.0975","0.0639","","","0.1761","0.1958","","","","","","1.048","","","","has coordinates","284245","2023-06-05","04:13:14",""
"1569009","14.292","0.008","14.502","0.008","15.149","0.009","70.44","0.02","79.46","0.02","67.63","0.02","2730","3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C114 H168 Ge2 K2 N6 O2 Se2 -","- C94 H124 Ge2 K2 N6 Se2 -","- C94 H124 Ge2 K2 N6 Se2 -","1","0.5","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","synchrotron","","0.054","0.0481","","","0.1435","0.1502","","","","","","1.0533","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14",""
"1569010","14.1535","","14.2181","","15.1396","","79.781","","70.505","","68.035","","2658.68","","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H154 Ge2 K2 N6 O2 S2 -","- C94 H124 Ge2 K2 N6 S2 -","- C94 H124 Ge2 K2 N6 S2 -","1","0.5","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","synchrotron","","0.0706","0.0591","","","0.1839","0.2003","","","","","","1.0354","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14",""
"1569011","11.0177","0.0007","21.7711","0.0013","24.2953","0.0016","90","","92.991","0.003","90","","5819.7","0.6","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H86 Ge K N3 O3 -","- C59 H86 Ge K N3 O3 -","- C236 H344 Ge4 K4 N12 O12 -","4","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","synchrotron","","0.0589","0.0492","","","0.1344","0.1407","","","","","","1.0263","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14",""
"1569012","13.0586","0.0002","18.1083","0.0003","18.9686","0.0002","81.401","0.001","80.919","0.001","74.937","0.001","4249.3","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H128 Dy2 K N6 O9 -","- C84 H128 Dy2 K N6 O9 -","- C168 H256 Dy4 K2 N12 O18 -","2","1","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","0.71073","MoKα","","0.0561","0.0513","","","0.1308","0.1338","","","","","","1.103","","","","has coordinates,has disorder","284247","2023-06-05","04:13:54",""
"1569013","15.59","0.0002","13.659","0.0001","15.5654","0.0002","90","","116.337","0.001","90","","2970.51","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C68 H84 Gd2 N4 -","- C68 H84 Gd2 N4 -","- C136 H168 Gd4 N8 -","2","0.25","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","1.54184","CuKα","","0.0246","0.024","","","0.061","0.0613","","","","","","1.103","","","","has coordinates,has disorder","284247","2023-06-05","04:13:58",""
"1569014","10.5529","0.0006","11.023","0.0006","12.4361","0.0007","67.772","0.001","87.537","0.001","79.199","0.001","1314.78","0.13","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H76 Dy2 N4 -","- C61 H76 Dy2 N4 -","- C61 H76 Dy2 N4 -","1","0.5","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","","0.71073","MoKα","","0.0205","0.0194","","","0.0464","0.0475","","","","","","1.074","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01",""
"1569015","27.9083","0.0018","13.6251","0.0002","15.5343","0.001","90","","149.942","0.018","90","","2958.7","1.6","100","0.1","100","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C68 H84 N4 Tb2 -","- C68 H84 N4 Tb2 -","- C136 H168 N8 Tb4 -","2","0.25","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","1.54184","CuKα","","0.0258","0.0251","","","0.0617","0.062","","","","","","1.1","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01",""
"1569016","13.0078","0.0001","18.0377","0.0002","18.9498","0.0002","81.515","0.001","81.572","0.001","74.853","0.001","4217.51","0.08","100","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C84 H128 Gd2 K N6 O9 -","- C84 H128 Gd2 K N6 O9 -","- C168 H256 Gd4 K2 N12 O18 -","2","1","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","","0.71073","MoKα","","0.0483","0.0402","","","0.1003","0.1047","","","","","","1.063","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01",""
"1569017","12.9981","0.0001","18.0236","0.0002","18.9237","0.0002","81.646","0.001","81.526","0.001","74.92","0.001","4207.27","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H127 K N6 O9 Tb2 -","- C84 H127 K N6 O9 Tb2 -","- C168 H254 K2 N12 O18 Tb4 -","2","1","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","0.71073","MoKα","","0.0698","0.0575","","","0.1417","0.1584","","","","","","1.117","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01",""
"1569019","14.8421","0.0004","6.7381","0.0002","12.6407","0.0006","90","","120.534","0.002","90","","1088.86","0.07","305","","305","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H8 Br2 N2 O6 -","- C5 H8 Br2 N2 O6 -","- C20 H32 Br8 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0469","0.0408","","","0.0952","0.098","","","","","","1.132","","","","has coordinates","284900","2023-07-05","09:45:23",""
"1569020","6.737","0.0004","12.6197","0.0007","27.5521","0.0014","90","","90","","90","","2342.4","0.2","305","","305","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 I2 N6 O18 -","- C10 H15 I2 N6 O18 -","- C40 H60 I8 N24 O72 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.084","0.0503","","","0.112","0.13","","","","","","0.976","","","","has coordinates","284900","2023-07-05","09:45:27",""
"1569021","12.074","0.004","6.959","0.003","22.562","0.009","90","","90.017","0.013","90","","1895.7","1.3","250","","250","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H16 Cl6 N2 O6 -","- C10 H16 Cl6 N2 O6 -","- C40 H64 Cl24 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","0.71073","MoKα","","0.0361","0.0296","","","0.0613","0.0645","","","","","","1.057","","","","has coordinates","284900","2023-07-05","09:45:27",""
"1569022","7.0321","0.0003","11.3862","0.0005","7.2912","0.0003","90","","118.747","0.002","90","","511.85","0.04","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H8 Br3 N O3 -","- C5 H8 Br3 N O3 -","- C10 H16 Br6 N2 O6 -","2","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","0.71073","MoKα","","0.0881","0.0355","","","0.0577","0.0672","","","","","","1.013","","","","has coordinates","284900","2023-07-05","09:45:39",""
"1569023","12.5956","0.0011","6.6449","0.0006","27.335","0.002","90","","102.653","0.005","90","","2232.3","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl2 N6 O18 -","- C10 H16 Cl2 N6 O18 -","- C40 H64 Cl8 N24 O72 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.086","0.0809","","","0.2314","0.2351","","","","","","1.094","","","","has coordinates","284900","2023-07-05","09:45:43",""
"1569024","7.5161","0.0002","11.0417","0.0003","14.1414","0.0003","90","","92.476","0.002","90","","1172.51","0.05","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N3 O9 -","- C6 H11 N3 O9 -","- C24 H44 N12 O36 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0621","0.0463","","","0.1152","0.1297","","","","","","1.026","","","","has coordinates","284900","2023-07-05","09:45:47",""
"1569025","6.6728","0.0009","12.5692","0.0019","27.033","0.004","90","","90","","90","","2267.3","0.6","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Br2 N6 O18 -","- C10 H16 Br2 N6 O18 -","- C40 H64 Br8 N24 O72 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0486","0.0336","","","0.0785","0.0854","","","","","","1.036","","","","has coordinates","284900","2023-07-05","09:45:58",""
"1569026","13.1616","0.0008","13.0126","0.0008","6.7544","0.0004","90","","98.802","0.005","90","","1143.18","0.12","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 I2 N2 O6 -","- C5 H8 I2 N2 O6 -","- C20 H32 I8 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","x-ray","0.71073","MoKα","","0.0425","0.0288","","","0.0609","0.0706","","","","","","1.054","","","","has coordinates","284900","2023-07-05","09:45:58",""
"1569027","14.7924","0.0015","6.6138","0.0006","12.57","0.002","90","","121.68","0.004","90","","1046.5","0.2","296","","296","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H8 Cl2 N2 O6 -","- C5 H8 Cl2 N2 O6 -","- C20 H32 Cl8 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0279","0.0258","","","0.0618","0.0632","","","","","","1.065","","","","has coordinates","284900","2023-07-05","09:45:58",""
"1569028","6.9671","0.0002","12.3623","0.0005","26.6682","0.0012","90","","90","","90","","2296.92","0.15","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 I3 N O3 -","- C5 H8 I3 N O3 -","- C40 H64 I24 N8 O24 -","8","2","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","0.71073","MoKα","","0.0585","0.0376","","","0.0828","0.0931","","","","","","1.027","","","","has coordinates","284900","2023-07-05","09:45:58",""
"1569029","18.046","0.0017","9.8055","0.001","24.994","0.003","90","","110.269","0.004","90","","4148.8","0.8","150","2","150","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- C112 H67 N24 O32 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","1","0.5","","Yuan, Amelia T.; Stillman, Martin J.","Arsenic binding to human metallothionein-3.","Chemical science","2023","14","21","5756","5767","10.1039/d3sc00400g","","","1.34139","GaKα","","0.0618","0.0587","","","0.1826","0.1847","","","","","","1.083","","","","has coordinates,has disorder","284240","2023-06-05","04:10:09",""
"1569049","10.1108","0.0001","34.6407","0.0002","11.5453","0.0001","90","","112.005","0.001","90","","3749.11","0.06","173.01","0.1","173.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H63 B N3 Na O Si3 -","- C28 H63 B N3 Na O Si3 -","- C112 H252 B4 N12 Na4 O4 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH2SiMe3)3: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0432","0.036","","","0.0958","0.1027","","","","","","1.061","","","","has coordinates,has disorder","284883","2023-07-05","09:34:57",""
"1569050","12.50294","0.0001","16.73895","0.00015","15.65536","0.00013","90","","98.9971","0.0008","90","","3236.14","0.05","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H55 B N3 Na Si3 -","- C21 H55 B N3 Na Si3 -","- C84 H220 B4 N12 Na4 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH2SiMe3)3: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0577","0.0511","","","0.1415","0.1492","","","","","","1.069","","","","has coordinates","284883","2023-07-05","09:35:10",""
"1569051","11.0817","0.0001","18.6842","0.0002","16.2208","0.0002","90","","93.358","0.001","90","","3352.79","0.06","100.3","0.5","100.3","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H55 B N3 Na Si2 -","- C29 H55 B N3 Na Si2 -","- C116 H220 B4 N12 Na4 Si8 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH2SiMe3)3: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0643","0.0549","","","0.1474","0.1574","","","","","","1.071","","","","has coordinates,has disorder","284883","2023-07-05","09:35:13",""
"1569052","10.09239","0.00018","17.0772","0.0003","18.2578","0.0003","90","","95.549","0.0017","90","","3131.98","0.09","173","0.1","173","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H55 B Li N3 Si3 -","- C21 H55 B Li N3 Si3 -","- C84 H220 B4 Li4 N12 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH2SiMe3)3: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0501","0.0479","","","0.1382","0.1436","","","","","","1.126","","","","has coordinates,has disorder","284883","2023-07-05","09:35:14",""
"1569053","12.5688","0.0015","17.32","0.002","16.3239","0.001","90","","91.481","0.007","90","","3552.4","0.6","100.35","0.1","100.35","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H61 B N3 Na Si3 -","- C27 H61 B N3 Na Si3 -","- C108 H244 B4 N12 Na4 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH2SiMe3)3: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0875","0.0727","","","0.1906","0.2101","","","","","","1.062","","","","has coordinates,has disorder","284883","2023-07-05","09:35:14",""
"1569054","11.6411","0.0001","18.6662","0.0001","33.6871","0.0002","90","","90","","90","","7320.04","0.09","99.99","0.1","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H59 B N3 Na O2 Si2 -","- C30.673 H58.346 B N3 Na O1.673 Si2 -","- C245.384 H466.768 B8 N24 Na8 O13.384 Si16 -","8","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH2SiMe3)3: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","","1.54184","CuKα","","0.0469","0.0459","","","0.1074","0.108","","","","","","1.136","","","","has coordinates,has disorder","284883","2023-07-05","09:35:14",""
"1569055","6.9978","0.0001","14.4109","0.0003","12.2598","0.0002","90","","91.455","0.002","90","","1235.94","0.04","99.9","0.7","99.9","0.7","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H20 F3 N O5 S2 -","- C26 H20 F3 N O5 S2 -","- C52 H40 F6 N2 O10 S4 -","2","1","","Zhang, Zhi-Xin; Liu, Li-Gao; Liu, Yi-Xi; Lin, Jian; Lu, Xin; Ye, Long-Wu; Zhou, Bo","Organocatalytic intramolecular (4 + 2) annulation of enals with ynamides: atroposelective synthesis of axially chiral 7-aryl indolines.","Chemical science","2023","14","22","5918","5924","10.1039/d3sc01880f","","x-ray","1.54184","CuKα","","0.0493","0.0478","","","0.1294","0.1351","","","","","","1.097","","","","has coordinates","284893","2023-07-05","09:42:10",""
"1569056","13.7393","0.0004","13.7546","0.0005","14.7849","0.0006","112.76","0.004","91.008","0.003","93.713","0.003","2568.3","0.18","140","0.11","140","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C48 H69 Cl3 O6 Si3 -","- C48 H69 Cl3 O6 Si3 -","- C96 H138 Cl6 O12 Si6 -","2","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0477","0.0362","","","0.0908","0.0979","","","","","","1.026","","","","has coordinates","284891","2023-07-05","09:41:25",""
"1569057","25.2554","0.0011","11.0935","0.0006","25.7721","0.0014","90","","105.25","0.005","90","","6966.3","0.6","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H99 Ce K2 O12 Si3 -","- C60 H99 Ce K2 O12 Si3 -","- C240 H396 Ce4 K8 O48 Si12 -","4","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.1349","0.0762","","","0.1703","0.2","","","","","","1.017","","","","has coordinates,has disorder","284891","2023-07-05","09:41:28",""
"1569058","13.2982","0.0005","13.6413","0.0004","17.7827","0.0006","86.91","0.003","69.976","0.003","85.916","0.003","3021.66","0.19","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H69 Ce Cl O9 Si3 -","- C48 H69 Ce Cl O9 Si3 -","- C96 H138 Ce2 Cl2 O18 Si6 -","2","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.073","0.0584","","","0.1513","0.1636","","","","","","1.022","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569059","14.0331","0.0003","15.4209","0.0004","16.938","0.0004","109.329","0.002","108.864","0.002","101.873","0.002","3065.72","0.16","139.99","0.1","139.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C59 H85 Ce O10 Si3 -","- C59 H85 Ce O10 Si3 -","- C118 H170 Ce2 O20 Si6 -","2","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","0.71073","MoKα","","0.0564","0.0421","","","0.0994","0.1078","","","","","","1.08","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569060","13.5317","0.0009","19.775","0.0016","20.4919","0.0012","67.818","0.006","89.464","0.005","89.905","0.006","5077.4","0.6","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C48 H72 O9 Si3 -","- C48 H72 O9 Si3 -","- C192 H288 O36 Si12 -","4","2","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.1621","0.0634","","","0.0994","0.1382","","","","","","0.854","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569061","15.5349","0.0004","16.9728","0.0005","21.2514","0.0006","112.666","0.003","95.795","0.002","108.276","0.002","4749.9","0.3","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C132 H210 K8 N4 O30 Si6 -","- C132 H210 K8 N4 O30 Si6 -","- C132 H210 K8 N4 O30 Si6 -","1","0.5","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0521","0.041","","","0.1096","0.1167","","","","","","1.041","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569062","13.54182","0.00009","33.4467","0.0002","20.39623","0.00015","90","","91.1616","0.0006","90","","9236.15","0.11","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C134 H210 Ce2 K2 N4 O34 Si6 -","- C134 H210 Ce2 K2 N4 O34 Si6 -","- C268 H420 Ce4 K4 N8 O68 Si12 -","2","0.5","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0348","0.0315","","","0.0817","0.0839","","","","","","1.043","","","","has coordinates","284891","2023-07-05","09:41:30",""
"1569063","29.21058","0.00019","18.42416","0.00015","29.16367","0.00018","90","","98.1608","0.0007","90","","15536.4","0.19","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H186 K8 O24 Si6 -","- C120 H186 K8 O24 Si6 -","- C480 H744 K32 O96 Si24 -","4","0.5","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0331","0.0301","","","0.0817","0.084","","","","","","1.035","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569064","20.1856","0.0004","20.8622","0.0004","21.3727","0.0004","90","","105.036","0.002","90","","8692.2","0.3","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H133 Ce K N2 O18 Si3 -","- C78 H133 Ce K N2 O18 Si3 -","- C312 H532 Ce4 K4 N8 O72 Si12 -","4","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0805","0.056","","","0.1406","0.1613","","","","","","1.056","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569065","13.77347","0.00011","45.4297","0.0004","15.21804","0.00013","90","","93.1526","0.0007","90","","9507.89","0.14","140","0.1","140","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H130 Ce K N2 O17 P Si3 -","- C76 H130 Ce K N2 O17 P Si3 -","- C304 H520 Ce4 K4 N8 O68 P4 Si12 -","4","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0586","0.0554","","","0.1199","0.1213","","","","","","1.148","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569107","9.6342","0.0006","21.7612","0.0013","9.6649","0.0006","90","","90","","90","","2026.3","0.2","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C108 H92 N4 O16 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0297","0.0297","","","0.0776","0.0776","","","","","","1.072","","","","has coordinates","284911","2023-07-05","09:56:02",""
"1569108","10.2681","0.0008","13.4445","0.001","18.5225","0.0014","75.214","0.003","78.879","0.003","68.82","0.002","2290.9","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N O4 -","- C31 H25 N O4 -","- C124 H100 N4 O16 -","4","2","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0347","0.0328","","","0.0875","0.0893","","","","","","1.045","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569109","9.7117","0.0006","17.1656","0.0011","19.8546","0.0013","90","","90","","90","","3309.9","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C176 H144 O32 -","8","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0476","0.0417","","","0.1076","0.1131","","","","","","1.041","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569110","19.1967","0.0009","13.7962","0.0006","13.848","0.0006","90","","90","","90","","3667.5","0.3","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H19 N O5 -","- C23 H19 N O5 -","- C184 H152 N8 O40 -","8","2","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0343","0.0341","","","0.0903","0.0906","","","","","","1.045","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03",""
"1569111","11.0296","0.0003","13.7412","0.0003","17.5524","0.0004","90","","90","","90","","2660.24","0.11","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N O7 -","- C31 H29 N O7 -","- C124 H116 N4 O28 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0238","0.0238","","","0.0613","0.0613","","","","","","1.068","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03",""
"1569112","9.7429","0.0007","14.3116","0.001","18.0645","0.0012","67.127","0.0015","81.542","0.0016","80.5606","0.0017","2279.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H54 N2 O15 -","- C52 H54 N2 O15 -","- C104 H108 N4 O30 -","2","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0554","0.0483","","","0.1297","0.1365","","","","","","1.037","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03",""
"1569113","8.6339","0.0002","15.244","0.0003","33.422","0.0006","83.1131","0.0013","89.851","0.0013","83.6116","0.0014","4339.73","0.15","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H86 N4 O9 S8 -","- C104 H86 N4 O9 S8 -","- C208 H172 N8 O18 S16 -","2","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0823","0.0609","","","0.1288","0.1436","","","","","","1.101","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03",""
"1569114","12.622","0.0011","9.9052","0.0009","13.1752","0.0011","90","","96.22","0.003","90","","1637.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0506","0.0459","","","0.1176","0.1223","","","","","","1.03","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569115","7.9089","0.0003","21.0205","0.0009","13.341","0.0006","90","","96.0784","0.0016","90","","2205.46","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C112 H104 N8 O12 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0413","0.0373","","","0.0945","0.0978","","","","","","1.039","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569116","11.2062","0.001","11.4773","0.0011","16.2488","0.0015","90","","94.0553","0.0018","90","","2084.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C96 H108 N4 O20 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0515","0.0462","","","0.1216","0.1275","","","","","","1.047","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569117","11.3403","0.0004","11.8742","0.0004","12.8266","0.0005","75.401","0.0015","71.361","0.0015","62.6841","0.0013","1442.67","0.09","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N2 O10 -","- C34 H28 N2 O10 -","- C68 H56 N4 O20 -","2","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0426","0.037","","","0.0974","0.1012","","","","","","1.069","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569118","12.199","0.005","14.356","0.005","21.64","0.005","83.953","0.005","86.895","0.005","66.88","0.005","3466","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H72 Cl2 N10 O Zn1.5 -","- C72 H72 Cl2 N10 O Zn1.5 -","- C144 H144 Cl4 N20 O2 Zn3 -","2","1","","Dhamija, Avinash; Chandel, Dolly; Rath, Sankar Prasad","Modulation of supramolecular chirality by stepwise axial coordination in a nano-size trizinc(ii)porphyrin trimer.","Chemical science","2023","14","22","6032","6038","10.1039/d3sc00858d","","","0.71073","MoKα","","0.393","0.1591","","","0.349","0.4507","","","","","","1.013","","","","has coordinates","284896","2023-07-05","09:43:17",""
"1569119","11.212","0.0009","13.3082","0.0011","19.7177","0.0015","73.666","0.002","84.633","0.002","68.645","0.002","2629.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H100 Cl4 N12 O2 Zn2.4 -","- C120 H100 Cl4 N12 O2 Zn2.387 -","- C120 H100 Cl4 N12 O2 Zn2.387 -","1","0.5","","Dhamija, Avinash; Chandel, Dolly; Rath, Sankar Prasad","Modulation of supramolecular chirality by stepwise axial coordination in a nano-size trizinc(ii)porphyrin trimer.","Chemical science","2023","14","22","6032","6038","10.1039/d3sc00858d","","","0.71073","MoKα","","0.1071","0.0712","","","0.1985","0.2202","","","","","","1.059","","","","has coordinates","284896","2023-07-05","09:43:21",""
"1569120","12.967","0.002","14.683","0.002","17.866","0.003","82.663","0.004","72.777","0.004","72.012","0.004","3087.8","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C132 H128 Cl4 N16 O2 Zn3 -","- C132 H128 Cl4 N16 O2 Zn3 -","- C132 H128 Cl4 N16 O2 Zn3 -","1","1","","Dhamija, Avinash; Chandel, Dolly; Rath, Sankar Prasad","Modulation of supramolecular chirality by stepwise axial coordination in a nano-size trizinc(ii)porphyrin trimer.","Chemical science","2023","14","22","6032","6038","10.1039/d3sc00858d","","","0.71073","MoKα","","0.0506","0.0452","","","0.1058","0.1086","","","","","","1.007","","","","has coordinates","284896","2023-07-05","09:43:31",""
"1569121","9.26934","0.00012","14.15286","0.00015","12.30478","0.00015","90","","111.354","0.0014","90","","1503.42","0.03","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 -","- C16 H18 Cl N3 -","- C64 H72 Cl4 N12 -","4","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0366","0.0357","","","0.0967","0.0974","","","","","","1.098","","","","has coordinates","284904","2023-07-05","09:48:05",""
"1569122","13.3991","0.0002","9.824","0.0001","13.8269","0.0002","90","","105.917","0.001","90","","1750.29","0.04","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl N4 O -","- C19 H19 Cl N4 O -","- C76 H76 Cl4 N16 O4 -","4","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0401","0.0393","","","0.1039","0.1045","","","","","","1.037","","","","has coordinates","284904","2023-07-05","09:48:05",""
"1569123","13.57251","0.00016","22.5778","0.0002","17.07448","0.00017","90","","99.922","0.0011","90","","5154","0.09","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H104 Au6 B2 Cl2 F8 N18 -","- C98 H104 Au6 B2 Cl2 F8 N18 -","- C196 H208 Au12 B4 Cl4 F16 N36 -","2","0.5","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0593","0.0496","","","0.1311","0.1376","","","","","","1.028","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05",""
"1569124","14.44142","0.00013","43.0804","0.0004","17.47381","0.00012","90","","92.7197","0.0007","90","","10859","0.16","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 H98 Au6 B2 Cl2 F8 N24 -","- C116 H98 Au6 B2 Cl2 F8 N24 -","- C464 H392 Au24 B8 Cl8 F32 N96 -","4","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0449","0.0379","","","0.0949","0.0985","","","","","","1.033","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05",""
"1569125","28.2746","0.0008","33.2019","0.0008","29.4805","0.001","90","","106.484","0.003","90","","26537.9","1.4","93","2","93","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C103 H111 Ag3 Au6 B5 F20 N21 -","- C103 H111 Ag3 Au6 B5 F20 N21 -","- C824 H888 Ag24 Au48 B40 F160 N168 -","8","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.1197","0.097","","","0.2906","0.3128","","","","","","1.109","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05",""
"1569126","35.541","0.0003","15.07664","0.00017","50.5683","0.0005","90","","93.2056","0.0009","90","","27054.1","0.5","93","2","93","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C123 H109 Ag4 Au6 B6 Cl4 F24 N27 -","- C123 H108.5 Ag4 Au6 B6 Cl4 F24 N27 -","- C984 H868 Ag32 Au48 B48 Cl32 F192 N216 -","8","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.068","0.0605","","","0.1686","0.1753","","","","","","1.05","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05",""
"1569127","50.442","0.007","17.173","0.002","36.609","0.008","90","","126.454","0.009","90","","25507","8","260","","260","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0565","0.0415","","","0.0942","0.1033","","","","","","1.025","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569128","50.415","0.008","17.153","0.003","36.605","0.009","90","","126.479","0.01","90","","25453","9","250","","250","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0552","0.0403","","","0.1012","0.1128","","","","","","1.025","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569129","50.174","0.002","17.1013","0.0007","36.5414","0.0018","90","","126.54","0.001","90","","25191.1","1.9","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.063","0.0455","","","0.1001","0.1133","","","","","","1.034","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569130","50.377","0.007","17.131","0.002","36.574","0.008","90","","126.572","0.007","90","","25349","8","230","","230","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.051","0.0362","","","0.0938","0.106","","","","","","1.03","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569131","50.203","0.003","17.1051","0.0008","36.545","0.002","90","","126.57","0.002","90","","25204","2","190","","190","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0561","0.0389","","","0.0876","0.1001","","","","","","1.029","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569132","50.392","0.008","17.139","0.003","36.582","0.008","90","","126.549","0.008","90","","25382","9","240","","240","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0528","0.038","","","0.0995","0.112","","","","","","1.028","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569133","50.309","0.009","17.123","0.003","36.562","0.009","90","","126.516","0.009","90","","25313","9","210","","210","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0531","0.0369","","","0.0948","0.1081","","","","","","1.041","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569134","50.01","0.011","17.139","0.004","35.795","0.012","90","","126.497","0.01","90","","24664","12","320","","320","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0724","0.0483","","","0.1108","0.1243","","","","","","1.032","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569135","50.078","0.012","17.124","0.004","35.793","0.013","90","","126.195","0.013","90","","24770","13","330","","330","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.081","0.0514","","","0.1182","0.1369","","","","","","1.046","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569136","14.2111","0.0008","20.6527","0.001","36.062","0.002","90","","98.644","0.002","90","","10463.9","1","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H77 N36 O20 -","- C84 H77 N36 O20 -","- C336 H308 N144 O80 -","4","1","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.0831","0.0576","","","0.1381","0.1518","","","","","","1.015","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569137","49.939","0.01","17.159","0.003","35.77","0.01","90","","126.581","0.009","90","","24614","10","310","","310","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0622","0.0424","","","0.1061","0.1185","","","","","","1.024","","","","has coordinates,has disorder","284907","2023-07-05","09:54:29",""
"1569138","49.985","0.008","17.153","0.003","35.852","0.009","90","","126.717","0.009","90","","24641","9","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0446","0.0326","","","0.0809","0.088","","","","","","1.02","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569139","49.896","0.008","17.153","0.003","35.759","0.008","90","","126.629","0.007","90","","24561","8","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H184 N76 O66 U6 -","- C204 H184 N76 O66 U6 -","- C816 H736 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0514","0.0367","","","0.0955","0.1051","","","","","","1.029","","","","has coordinates,has disorder","284907","2023-07-05","09:54:29",""
"1569140","50.132","0.007","17.158","0.003","36.049","0.008","90","","126.771","0.007","90","","24839","8","280","","280","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0441","0.0327","","","0.0882","0.0953","","","","","","1.013","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569141","50.361","0.012","17.16","0.004","36.437","0.013","90","","126.564","0.012","90","","25291","13","270","","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.06","0.0465","","","0.1117","0.1192","","","","","","1.051","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569142","50.17","0.003","17.1438","0.0012","36.311","0.002","90","","126.806","0.002","90","","25006","3","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1035","0.0694","","","0.1646","0.1829","","","","","","1.043","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569143","50.341","0.003","17.162","0.0012","36.333","0.002","90","","126.839","0.002","90","","25122","3","260","2","260","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1029","0.0638","","","0.1534","0.1754","","","","","","1.022","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569144","50.335","0.003","17.1605","0.0012","36.326","0.002","90","","126.834","0.002","90","","25114","3","250","2","250","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1009","0.0633","","","0.1542","0.1755","","","","","","1.028","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569145","50.33","0.003","17.1651","0.0012","36.311","0.002","90","","126.842","0.002","90","","25105","3","260","2","260","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1021","0.0638","","","0.1537","0.1756","","","","","","1.012","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569146","50.273","0.003","17.1706","0.0012","36.207","0.002","90","","126.895","0.002","90","","24995","3","280","2","280","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1032","0.0633","","","0.1514","0.1731","","","","","","1.016","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569147","50.275","0.003","17.1463","0.0012","36.288","0.002","90","","126.859","0.002","90","","25029","3","210","2","210","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.099","0.0636","","","0.1554","0.1752","","","","","","1.045","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569148","50.254","0.003","17.1723","0.0012","36.173","0.002","90","","126.907","0.002","90","","24961","3","280","2","280","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1022","0.0633","","","0.1525","0.1742","","","","","","1.013","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569149","50.296","0.003","17.1689","0.0012","36.239","0.002","90","","126.873","0.002","90","","25034","3","270","2","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1021","0.0633","","","0.1514","0.1726","","","","","","1.018","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569150","50.321","0.003","17.1678","0.0012","36.282","0.002","90","","126.859","0.002","90","","25079","3","270","2","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1021","0.0627","","","0.151","0.1734","","","","","","1.005","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569151","50.184","0.003","17.1664","0.0012","36.104","0.002","90","","126.911","0.002","90","","24869","3","290","2","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1044","0.0639","","","0.1546","0.1762","","","","","","1.035","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569152","49.979","0.003","17.1586","0.0012","35.912","0.002","90","","126.778","0.002","90","","24667","3","330","2","330","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1217","0.0684","","","0.163","0.1917","","","","","","1.01","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569153","50.132","0.003","17.1643","0.0012","36.047","0.002","90","","126.895","0.002","90","","24806","3","300","2","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H182 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1079","0.0651","","","0.1589","0.1829","","","","","","1.022","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569154","50.227","0.003","17.17","0.0012","36.146","0.002","90","","126.913","0.002","90","","24924","3","290","2","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1038","0.0636","","","0.1564","0.1795","","","","","","1.005","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569155","50.01","0.003","17.1627","0.0012","35.932","0.002","90","","126.811","0.002","90","","24692","3","320","2","320","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1143","0.0672","","","0.1614","0.1874","","","","","","1.023","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569156","50.073","0.003","17.1624","0.0012","35.989","0.002","90","","126.86","0.002","90","","24746","3","310","2","310","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.112","0.0664","","","0.1623","0.1877","","","","","","1.013","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569157","50.041","0.003","17.1622","0.0012","35.968","0.002","90","","126.838","0.002","90","","24722","3","320","2","320","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1178","0.0672","","","0.1601","0.1873","","","","","","1.005","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569158","50.105","0.003","17.1636","0.0012","36.026","0.002","90","","126.878","0.002","90","","24783","3","310","2","310","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1111","0.0657","","","0.1583","0.183","","","","","","1.022","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569159","50.161","0.003","17.165","0.0012","36.082","0.002","90","","126.907","0.002","90","","24842","3","300","2","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1068","0.064","","","0.1552","0.1785","","","","","","1.021","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569160","13.6441","0.0002","13.8612","0.0002","25.181","0.0005","90","","103.182","0.0019","90","","4636.84","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H61 N5 O4 -","- C53 H61 N5 O4 -","- C212 H244 N20 O16 -","4","1","","Perera, Tharushi A.; Taylor, William V.; Gildner, M. Brenton; Reinheimer, Eric W.; Ito, Sho; Nelson, Anna; Yost, Shane R.; Hudnall, Todd W.","Photochemical reactions of a diamidocarbene: cyclopropanation of bromonaphthalene, addition to pyridine, and activation of sp3 C-H bonds.","Chemical science","2023","14","29","7867","7874","10.1039/d2sc05122b","","","1.54184","CuKα","","0.0527","0.0431","","","0.1147","0.1206","","","","","","1.054","","","","has coordinates","286027","2023-09-05","19:04:38",""
"1569161","9.56","0.13","19.48","0.12","15.5","0.3","90","","94.1","0.2","90","","2879","7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N2 O2 -","- C30 H40 N2 O2 -","- C120 H160 N8 O8 -","4","1","","Perera, Tharushi A.; Taylor, William V.; Gildner, M. Brenton; Reinheimer, Eric W.; Ito, Sho; Nelson, Anna; Yost, Shane R.; Hudnall, Todd W.","Photochemical reactions of a diamidocarbene: cyclopropanation of bromonaphthalene, addition to pyridine, and activation of sp3 C-H bonds.","Chemical science","2023","14","29","7867","7874","10.1039/d2sc05122b","","electron","0.0251","200keVelectrons","","0.2325","0.1648","","","0.3778","0.4084","","","","","","2.063","","","","has coordinates","286027","2023-09-05","19:04:39",""
"1569162","14.8971","0.0001","23.3372","0.0002","33.3618","0.0003","90","","92.469","0.001","90","","11587.7","0.16","100.01","0.1","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C58 H63 Br N4 O4 -","- C58 H63 Br N4 O4 -","- C464 H504 Br8 N32 O32 -","8","1","","Perera, Tharushi A.; Taylor, William V.; Gildner, M. Brenton; Reinheimer, Eric W.; Ito, Sho; Nelson, Anna; Yost, Shane R.; Hudnall, Todd W.","Photochemical reactions of a diamidocarbene: cyclopropanation of bromonaphthalene, addition to pyridine, and activation of sp3 C-H bonds.","Chemical science","2023","14","29","7867","7874","10.1039/d2sc05122b","","","1.54184","CuKα","","0.0541","0.0518","","","0.1375","0.1389","","","","","","1.068","","","","has coordinates,has disorder","286027","2023-09-05","19:04:39",""
"1569163","23.3077","0.0017","25.5036","0.0018","22.5731","0.0017","90","","106.17","0.003","90","","12887.3","1.6","133","2","133","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C60 H72 Co F20 N6 O4 -","- C60 H72 Co F20 N6 O4 -","- C480 H576 Co8 F160 N48 O32 -","8","2","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and ab initio ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1696","0.0866","","","0.1888","0.2317","","","","","","1.038","","","","has coordinates,has disorder","284910","2023-07-05","09:55:30",""
"1569164","14.5633","0.0007","15.7822","0.0008","16.1274","0.0008","71.806","0.004","82.645","0.004","68.825","0.004","3283.2","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H40 F20 N4 O4 P2 Zn -","- C76 H40 F20 N4 O4 P2 Zn -","- C152 H80 F40 N8 O8 P4 Zn2 -","2","1","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and ab initio ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1029","0.0718","","","0.1404","0.1592","","","","","","1.115","","","","has coordinates,has disorder","284910","2023-07-05","09:55:31",""
"1569165","15.8085","0.0007","16.057","0.0008","21.8265","0.0011","69.295","0.004","83.67","0.004","71.644","0.004","4918.8","0.4","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H40 Co F20 N4 O4 P2 -","- C76 H40 Co F20 N4 O4 P2 -","- C228 H120 Co3 F60 N12 O12 P6 -","3","1.5","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and ab initio ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1011","0.061","","","0.1956","0.2438","","","","","","1.063","","","","has coordinates,has disorder","284910","2023-07-05","09:55:31",""
"1569166","20.7015","0.0009","14.4358","0.0005","24.8704","0.0012","90","","108.502","0.004","90","","7048.2","0.5","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 Co F20 K2 N4 O18 -","- C60 H68 Co F20 K2 N4 O18 -","- C240 H272 Co4 F80 K8 N16 O72 -","4","0.5","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and ab initio ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1214","0.0671","","","0.1897","0.2214","","","","","","1.08","","","","has coordinates","284910","2023-07-05","09:55:31",""
"1569167","20.7537","0.0006","14.4628","0.0003","24.8305","0.0007","90","","108.382","0.002","90","","7072.7","0.3","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 F20 K2 N4 O18 Zn -","- C60 H68 F20 K2 N4 O18 Zn -","- C240 H272 F80 K8 N16 O72 Zn4 -","4","0.5","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and ab initio ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.0521","0.0448","","","0.1481","0.1616","","","","","","1.123","","","","has coordinates","284910","2023-07-05","09:55:31",""
"1569168","18.16775","0.00017","13.05007","0.00009","30.7237","0.0002","90","","102.709","0.0008","90","","7105.83","0.1","150","0.1","150","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H51 Al K N3 O1.5 Si2 -","- C29 H47 Al K N3 O Si2 -","- C232 H376 Al8 K8 N24 O8 Si16 -","8","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0399","0.0384","","","0.1108","0.1123","","","","","","1.027","","","","has coordinates","284906","2023-07-05","09:49:11",""
"1569169","12.313","0.0003","12.5109","0.0003","19.2634","0.0005","104.783","0.002","105.037","0.002","99.317","0.002","2687.05","0.13","120.1","0.2","120.1","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H83 Al K N5 O7 Si2 -","- C47 H83 Al K N5 O7 Si2 -","- C94 H166 Al2 K2 N10 O14 Si4 -","2","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0842","0.0814","","","0.1874","0.1889","","","","","","1.12","","","","has coordinates,has disorder","284906","2023-07-05","09:49:14",""
"1569170","12.7748","0.0006","14.6769","0.0007","19.1675","0.0008","84.046","0.004","88.135","0.004","65.381","0.005","3249.3","0.3","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101.61 Al K N5 O3 Si2 -","- C67 H101.612 Al K N5 O3 Si2 -","- C134 H203.224 Al2 K2 N10 O6 Si4 -","2","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0747","0.0578","","","0.1426","0.1534","","","","","","1.032","","","","has coordinates,has disorder","284906","2023-07-05","09:49:15",""
"1569171","22.07209","0.00013","19.9537","0.00013","24.4522","0.00016","90","","90","","90","","10769.2","0.12","125","7","125","7","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H86 Al K N4 O2 Si2 -","- C54 H86 Al K N4 O2 Si2 -","- C432 H688 Al8 K8 N32 O16 Si16 -","8","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0365","0.0346","","","0.0929","0.095","","","","","","1.033","","","","has coordinates","284906","2023-07-05","09:49:15",""
"1569172","11.59172","0.00014","22.52352","0.00017","24.5925","0.0002","90","","96.0048","0.0009","90","","6385.54","0.11","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H93 Al K N5 O3 Si2 -","- C63 H93 Al K N5 O3 Si2 -","- C252 H372 Al4 K4 N20 O12 Si8 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0401","0.0349","","","0.0885","0.0924","","","","","","1.003","","","","has coordinates","284906","2023-07-05","09:49:15",""
"1569173","36.4496","0.0007","12.44536","0.00009","20.2703","0.0004","90","","136.513","0.003","90","","6328","0.4","150","0.1","150","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C68 H99 Al K N5 O Si2 -","- C68 H99 Al K N5 O Si2 -","- C272 H396 Al4 K4 N20 O4 Si8 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0248","0.0239","","","0.0599","0.0606","","","","","","1.011","","","","has coordinates","284906","2023-07-05","09:49:15",""
"1569174","11.0552","0.0003","11.8345","0.0003","23.9671","0.0007","82.31","0.002","76.873","0.002","80.547","0.002","2997.03","0.14","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C131 H170 Al2 K2 N10 O2 Si4 -","- C131 H170 Al2 K2 N10 O2 Si4 -","- C131 H170 Al2 K2 N10 O2 Si4 -","1","0.5","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.1016","0.0903","","","0.2267","0.2336","","","","","","1.101","","","","has coordinates,has disorder","284906","2023-07-05","09:49:15",""
"1569179","11.0183","0.0008","14.4087","0.001","17.3579","0.0009","65.994","0.006","87.485","0.005","71.975","0.006","2383.1","0.3","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H49 N3 S -","- C54 H49 N3 S -","- C108 H98 N6 S2 -","2","1","","Tabata, Naoki; Uchino, Takumi; Kitamura, Chitoshi; Yoshizawa, Kazunari; Shiota, Yoshihito; Kato, Shin-Ichiro","Site-selective radical reactions of kinetically stable open-shell singlet diradicaloid difluorenoheteroles with tributyltin hydride and azo-based radical initiators.","Chemical science","2023","14","22","5974","5982","10.1039/d3sc00381g","","x-ray","0.71073","MoKα","","0.1642","0.0884","","","0.2055","0.2488","","","","","","0.975","","","","has coordinates,has disorder","284889","2023-07-05","09:38:59",""
"1569180","18.046","0.0017","9.8055","0.001","24.994","0.003","90","","110.269","0.004","90","","4148.8","0.8","150","2","150","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- C112 H67 N24 O32 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","1","0.5","","Liu, Jiaqi; Wang, Hao; Li, Jing","Pillar-layer Zn-triazolate-dicarboxylate frameworks with a customized pore structure for efficient ethylene purification from ethylene/ethane/acetylene ternary mixtures.","Chemical science","2023","14","22","5912","5917","10.1039/d3sc01134h","","","1.34139","GaKα","","0.0618","0.0587","","","0.1826","0.1847","","","","","","1.083","","","","has coordinates,has disorder","284897","2023-07-05","09:43:44",""
"1569181","8.553","0.002","11.731","0.003","15.988","0.006","94.57","0.02","104.856","0.01","96.38","0.013","1531.1","0.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H80 O4 -","- C84 H80 O4 -","- C84 H80 O4 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","","1.54178","CuKα","","0.0748","0.0501","","","0.1345","0.1509","","","","","","1.048","","","","has coordinates,has disorder","284894","2023-07-05","09:42:35",""
"1569182","10.2129","0.0003","14.2075","0.0004","16.4062","0.0004","64.469","0.002","74.622","0.002","69.798","0.002","1996.82","0.1","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C100 H84 Cl6 O6 -","- C100 H84 Cl6 O6 -","- C100 H84 Cl6 O6 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","","1.54178","CuKα","","0.1188","0.0742","","","0.2098","0.2472","","","","","","1.026","","","","has coordinates","284894","2023-07-05","09:42:36",""
"1569183","9.5464","0.0008","11.1446","0.0007","19.3904","0.0008","87.388","0.004","88.255","0.006","79.15","0.007","2023.5","0.2","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C100 H86 Cl6 O4 -","- C98 H84 O4 -","- C98 H84 O4 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","x-ray","1.54184","CuKα","","0.1176","0.081","","","0.2385","0.2818","","","","","","0.948","","","","has coordinates","284894","2023-07-05","09:42:36",""
"1569184","8.6954","0.0002","15.609","0.0003","17.0505","0.0004","103.955","0.001","92.887","0.001","99.039","0.001","2208.59","0.09","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C119 H116 O4 -","- C119 H116 O4 -","- C119 H116 O4 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","","1.54178","CuKα","","0.063","0.0456","","","0.1159","0.1264","","","","","","1.046","","","","has coordinates,has disorder","284894","2023-07-05","09:42:36",""
"1569185","7.349","0.002","11.275","0.003","17.533","0.004","90","","90","","90","","1452.8","0.6","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 S -","- C18 H16 O2 S -","- C72 H64 O8 S4 -","4","1","","Liang, Ren-Xiao; Tang, Heng-Wei; Liu, Jia-Liang; Xu, Jian-Feng; Chen, Ling-Jia; Jia, Yi-Xia","Cobalt-catalyzed enantioselective desymmetrizing reductive cyclization of alkynyl cyclodiketones.","Chemical science","2023","14","23","6393","6398","10.1039/d3sc00119a","","","0.71073","MoKα","","0.0285","0.028","","","0.074","0.0748","","","","","","1.086","","","","has coordinates,has disorder","284909","2023-07-05","09:55:10",""
"1569188","4.8187","0.0004","15.7239","0.0018","22.4752","0.0016","90","","91.507","0.005","90","","1702.3","0.3","273","","273","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F N3 O2 -","- C22 H16 F N3 O2 -","- C88 H64 F4 N12 O8 -","4","1","","Tacke, Eléonore; Hoang, Minh-Duc; Tatoueix, Kevin; Keromnes, Benoît; Van Eslande, Elsa; Durand, Philippe; Pieters, Gregory; Chevalier, Arnaud","Unprecedented perspectives on the application of CinNapht fluorophores provided by a ""late-stage"" functionalization strategy.","Chemical science","2023","14","22","6000","6010","10.1039/d3sc01365k","","x-ray","1.54187","CuKα","","0.2014","0.0934","","","0.2397","0.3593","","","","","","0.933","","","","has coordinates","284888","2023-07-05","09:38:28",""
"1569190","11.8624","0.0004","4.0641","0.0002","26.0523","0.0009","90","","94.013","0.003","90","","1252.9","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 O6 -","- C32 H28 N2 O6 -","- C64 H56 N4 O12 -","2","0.5","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","","1.54178","CuKα","","0.0517","0.0445","","","0.1207","0.1263","","","","","","1.093","","","","has coordinates","284908","2023-07-05","09:55:01",""
"1569191","11.9476","0.0002","5.8409","0.0001","15.0139","0.0003","90","","95.536","0.002","90","","1042.85","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C56 H40 N4 O4 -","2","0.5","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","","1.54178","CuKα","","0.0432","0.0395","","","0.1022","0.1054","","","","","","1.049","","","","has coordinates","284908","2023-07-05","09:55:02",""
"1569192","22.5871","0.0009","6.0324","0.0002","25.2819","0.001","90","","114.529","0.005","90","","3133.9","0.2","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 N6 O2 -","- C36 H40 N6 O2 -","- C144 H160 N24 O8 -","4","0.5","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","","1.54178","CuKα","","0.0556","0.0461","","","0.1219","0.1279","","","","","","1.054","","","","has coordinates","284908","2023-07-05","09:55:02",""
"1569193","8.5815","0.0002","23.7567","0.0005","38.1133","0.0012","90","","90","","90","","7770.1","0.3","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C299 H342 Cl22 N48 O16 -","- C299 H342 Cl22 N48 O16 -","- C299 H342 Cl22 N48 O16 -","1","0.125","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","x-ray","1.54184","CuKα","","0.1221","0.0915","","","0.239","0.2588","","","","","","1.13","","","","has coordinates,has disorder","284908","2023-07-05","09:55:02",""
"1569194","5.665","0.0001","11.8408","0.0002","12.1314","0.0002","107.953","0.001","101.48","0.001","92.508","0.001","753.81","0.02","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","1-(3,5-dimethoxybenzyl)-4-phenyl-1H-1,2,3-triazole","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C34 H34 N6 O4 -","2","1","","Lennox, Cameron B.; Borchers, Tristan H.; Gonnet, Lori; Barrett, Christopher J.; Koenig, Stefan G.; Nagapudi, Karthik; Friščić, Tomislav","Direct mechanocatalysis by resonant acoustic mixing (RAM).","Chemical science","2023","14","27","7475","7481","10.1039/d3sc01591b","","","1.54178","CuKα","","0.0675","0.0504","","","0.1332","0.1604","","","","","","0.963","","","","has coordinates","286034","2023-09-05","19:07:05",""
"1569197","9.26014","0.00012","11.7541","0.0002","21.9162","0.0003","90","","90","","90","","2385.46","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N3 O2 S -","- C24 H31 N3 O2 S -","- C96 H124 N12 O8 S4 -","4","1","","Wang, Rui; Wang, Chuan","Asymmetric imino-acylation of alkenes enabled by HAT-photo/nickel cocatalysis.","Chemical science","2023","14","23","6449","6456","10.1039/d3sc01945d","","x-ray","1.54184","CuKα","","0.043","0.0408","","","0.1181","0.1214","","","","","","1.021","","","","has coordinates","284903","2023-07-05","09:47:26",""
"1569199","10.612","0.0007","13.2639","0.0008","13.3533","0.0008","90","","104.195","0.002","90","","1822.2","0.2","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C22 H19 Br O3 -","- C22 H19 Br O3 -","- C88 H76 Br4 O12 -","4","2","","Guin, Avishek; Bhattacharjee, Subrata; Harariya, Mahesh Singh; Biju, Akkattu T.","Lewis acid-catalyzed diastereoselective carbofunctionalization of bicyclobutanes employing naphthols.","Chemical science","2023","14","24","6585","6591","10.1039/d3sc01373a","","","0.71073","MoKα","","0.041","0.0318","","","0.0663","0.0688","","","","","","1.019","","","","has coordinates","284887","2023-07-05","09:38:08",""
"1569200","9.3235","0.0017","9.838","0.002","17.181","0.004","90","","90","","90","","1575.9","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Br O3 -","- C17 H19 Br O3 -","- C68 H76 Br4 O12 -","4","1","","Duran, Jordi; Mateos, Javier; Moyano, Albert; Companyó, Xavier","Catalytic asymmetric defluorinative allylation of silyl enol ethers.","Chemical science","2023","14","26","7147","7153","10.1039/d3sc01498c","","","0.71073","MoKα","","0.0348","0.0253","","","0.049","0.0524","","","","","","1.024","","","","has coordinates","286053","2023-09-05","19:13:30",""
"1569201","10.2482","0.0003","23.7215","0.0005","11.0876","0.0003","90","","115.082","0.003","90","","2441.25","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Dyn[4]arene","","","- C32 H38 O30 S8 -","- C32 H38 O30 S8 -","- C64 H76 O60 S16 -","2","1","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","1.54184","CuKα","","0.0591","0.0578","","","0.166","0.1695","","","","","","1.143","","","","has coordinates,has disorder","286055","2023-09-05","19:15:39",""
"1569202","10.7495","0.0018","11.9064","0.0017","19.424","0.003","90","","98.589","0.014","90","","2458.2","0.7","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","dyn[4]arene","","","- C37 H32.5 N2 O17.75 S8 -","- C37 H32.5 N2 O17.75 S8 -","- C74 H65 N4 O35.5 S16 -","2","1","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","1.54184","CuKα","","0.1547","0.0917","","","0.2248","0.2683","","","","","","1.02","","","","has coordinates","286055","2023-09-05","19:15:40",""
"1569203","10.644","0.002","11.901","0.002","22.63","0.005","101.4","0.03","90.57","0.03","99.4","0.03","2769.7","1","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","dyn[4]arene","","","- C36 H22 Co N2 O28 S8 -","- C36 H22 Co N2 O28 S8 -","- C72 H44 Co2 N4 O56 S16 -","2","1","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","0.82655","Synchrotron","","0.1389","0.1353","","","0.4438","0.4583","","","","","","2.503","","","","has coordinates,has disorder","286055","2023-09-05","19:15:40",""
"1569204","49.4947","0.0007","49.4947","0.0007","35.6973","0.0005","90","","90","","120","","75732.7","1.8","100","2","100","","","","","","","","","4","P 6 2 2","P 6 2","177","","","","- C192 H96 O64 S16 -","- C192 H96 O64 S16 -","- C1152 H576 O384 S96 -","6","0.5","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","0.97625","Synchrotron","","0.1871","0.1083","","","0.274","0.3616","","","","","","0.918","","","","has coordinates","286055","2023-09-05","19:15:40",""
"1569205","7.9192","0.0003","9.0455","0.0003","17.8728","0.0006","90","","92.107","0.003","90","","1279.42","0.08","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N6 O10 Zn2 -","- C24 H26 N6 O10 Zn2 -","- C48 H52 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0361","0.031","","","0.083","0.0852","","","","","","1.065","","","","has coordinates","284884","2023-07-05","09:35:44",""
"1569206","9.0073","0.00005","13.58036","0.00007","19.66015","0.0001","90","","99.5336","0.0005","90","","2371.66","0.02","300.51","0.1","300.51","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N6 O8 Zn2 -","- C22 H22 N6 O8 Zn2 -","- C88 H88 N24 O32 Zn8 -","4","1","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0274","0.0261","","","0.0714","0.0719","","","","","","1.047","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44",""
"1569207","8.3971","0.0001","15.8016","0.0001","10.0739","0.0001","90","","112.858","0.001","90","","1231.71","0.02","276","3","276","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N6 O10 Zn2 -","- C22 H22 N6 O10 Zn2 -","- C44 H44 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0242","0.0233","","","0.0633","0.0635","","","","","","1.054","","","","has coordinates","284884","2023-07-05","09:35:44",""
"1569208","7.9761","0.0001","8.7999","0.0001","10.5943","0.0002","98.605","0.001","97.133","0.001","98.842","0.001","718.204","0.019","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N8 O14 Zn2 -","- C24 H28 N8 O14 Zn2 -","- C24 H28 N8 O14 Zn2 -","1","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0225","0.0218","","","0.0547","0.0552","","","","","","1.055","","","","has coordinates","284884","2023-07-05","09:35:44",""
"1569209","8.5081","0.0001","17.0816","0.0001","9.7088","0.0001","90","","104.246","0.001","90","","1367.61","0.02","271.26","0.13","271.26","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H23.84 Br2 N4 O10 Zn2 -","- C22 H24 Br2 N6 O10 Zn2 -","- C44 H48 Br4 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0298","0.0289","","","0.0795","0.0822","","","","","","1.08","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44",""
"1569210","8.37106","0.00007","17.24574","0.00011","9.47691","0.00008","90","","105.366","0.0008","90","","1319.23","0.018","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl2 N6 O10 Zn2 -","- C22 H24 Cl2 N6 O10 Zn2 -","- C44 H48 Cl4 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0229","0.0222","","","0.0546","0.0551","","","","","","1.058","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44",""
"1569211","8.1441","0.0001","17.9862","0.0002","9.4493","0.0001","90","","109.211","0.001","90","","1307.07","0.03","272.1","0.8","272.1","0.8","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F2 N6 O10 Zn2 -","- C22 H24 F2 N6 O10 Zn2 -","- C44 H48 F4 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.031","0.0302","","","0.0725","0.0731","","","","","","1.085","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44",""
"1569212","19.9701","0.0003","17.0535","0.0003","8.023","0.0002","90","","97.808","0.002","90","","2706.98","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N6 O9 Zn2 -","- C25 H28 N6 O9 Zn2 -","- C100 H112 N24 O36 Zn8 -","4","1","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0512","0.0445","","","0.119","0.1253","","","","","","1.043","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44",""
"1569213","13.8755","0.0013","7.1896","0.0005","14.6846","0.0013","90","","93.679","0.003","90","","1461.9","0.2","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C68 H56 O16 S4 -","4","1","","Wang, Yulong; Shen, Shenyu; He, Chonglong; Zhou, Youkang; Zhang, Keyuan; Rao, Bin; Han, Tian; Su, Yaqiong; Duan, Xin-Hua; Liu, Le","Cu(ii)-mediated direct intramolecular cyclopropanation of distal olefinic acetate: access to cyclopropane-fused γ-lactones.","Chemical science","2023","14","24","6663","6668","10.1039/d3sc01752d","","","0.71073","MoKα","","0.0606","0.0403","","","0.0931","0.105","","","","","","1.015","","","","has coordinates","284881","2023-07-05","09:33:43",""
"1569214","7.9842","0.0004","21.6573","0.0012","21.6791","0.0011","90","","90","","90","","3748.7","0.3","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Cycloheptanone","3-phenyl-3-(2,4,6-trimethoxyphenyl)cycloheptan-1-one","","- C22 H26 O4 -","- C22 H26 O4 -","- C176 H208 O32 -","8","1","","Singha, Tushar; Kadam, Ganesh Arjun; Hari, Durga Prasad","Photocatalyzed Dowd-Beckwith radical-polar crossover reaction for the synthesis of medium-sized carbocyclic compounds.","Chemical science","2023","14","25","6930","6935","10.1039/d3sc01908j","","","0.71073","MoKα","","0.0734","0.0688","","","0.1436","0.1459","","","","","","1.289","","","","has coordinates","284899","2023-07-05","09:44:56",""
"1569215","8.0064","0.0007","24.8727","0.0017","10.4677","0.0008","90","","110.575","0.003","90","","1951.6","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5a,5b-diphenyldodecahydrocyclobuta[1,2:3,4]di[7]annulene-1,10-dione","","- C26 H28 O2 -","- C26 H28 O2 -","- C104 H112 O8 -","4","1","","Singha, Tushar; Kadam, Ganesh Arjun; Hari, Durga Prasad","Photocatalyzed Dowd-Beckwith radical-polar crossover reaction for the synthesis of medium-sized carbocyclic compounds.","Chemical science","2023","14","25","6930","6935","10.1039/d3sc01908j","","","0.71073","MoKα","","0.0785","0.0678","","","0.1488","0.1542","","","","","","1.178","","","","has coordinates","284899","2023-07-05","09:44:56",""
"1569218","8.8993","0.0006","18.8352","0.0012","20.4134","0.0016","90","","102.59","","90","","3339.4","0.4","60","2","60","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H0.25 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.097","0.071","","","0.1995","0.2202","","","","","","1.04","","","","has coordinates","284902","2023-07-05","09:46:53",""
"1569219","8.9674","0.0011","19.1331","0.0019","20.71","0.002","90","","102.5","","90","","3469.1","0.6","270","2","270","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0965","0.061","","","0.1596","0.1829","","","","","","1.051","","","","has coordinates","284902","2023-07-05","09:46:54",""
"1569220","8.9631","0.0004","18.8914","0.001","20.4693","0.001","90","","102.65","","90","","3381.8","0.3","120","2","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0798","0.063","","","0.1762","0.1896","","","","","","1.058","","","","has coordinates","284902","2023-07-05","09:46:54",""
"1569221","8.8187","0.0005","19.2165","0.0011","20.7495","0.001","90","","101.652","0.002","90","","3443.8","0.3","30","2","30","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0597","0.057","","","0.139","0.1411","","","","","","1.06","","","","has coordinates,has disorder","284902","2023-07-05","09:46:54",""
"1569222","8.929","0.002","18.861","0.004","20.414","0.005","90","","102.505","0.007","90","","3356.4","1.3","30","2","30","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0719","0.0686","","","0.1801","0.1832","","","","","","1.03","","","","has coordinates","284902","2023-07-05","09:46:54",""
"1569223","9.06","0.006","18.758","0.012","20.224","0.011","90","","102.25","0.02","90","","3359","4","30","2","30","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0931","0.0666","","","0.1687","0.1935","","","","","","1.063","","","","has coordinates","284902","2023-07-05","09:46:54",""
"1569224","9.8832","0.0012","10.4913","0.0012","16.8579","0.0014","75.651","0.009","87.092","0.008","71.514","0.01","1605.3","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H41 Br2 F5 N2 Pd -","- C27 H41 Br2 F5 N2 Pd -","- C54 H82 Br4 F10 N4 Pd2 -","2","1","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-N-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","1.54184","CuKα","","0.0833","0.0626","","","0.1674","0.2009","","","","","","1.024","","","","has coordinates","284882","2023-07-05","09:34:01",""
"1569225","10.093","0.0007","11.7688","0.0008","14.7684","0.0009","107.49","0.006","107.025","0.006","100.307","0.006","1529.8","0.2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 F5 N2 O2 Pd -","- C14 H11 F5 N2 O2 Pd -","- C56 H44 F20 N8 O8 Pd4 -","4","2","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-N-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","0.71073","MoKα","","0.0718","0.0434","","","0.0829","0.1029","","","","","","1.039","","","","has coordinates","284882","2023-07-05","09:34:02",""
"1569226","10.3513","0.0004","9.1559","0.0003","28.7456","0.0008","90","","90","","90","","2724.38","0.16","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H9 F5 N2 O2 Pd -","- C11 H9 F5 N2 O2 Pd -","- C88 H72 F40 N16 O16 Pd8 -","8","1","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-N-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","","0.71073","MoKα","","0.0694","0.0384","","","0.0716","0.0869","","","","","","1.079","","","","has coordinates","284882","2023-07-05","09:34:02",""
"1569227","18.3972","0.0005","12.8302","0.0004","19.2798","0.0005","90","","92.492","0.002","90","","4546.5","0.2","298","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H82 N4 O6 Pd -","- C40 H82 N4 O6 Pd -","- C160 H328 N16 O24 Pd4 -","4","0.5","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-N-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","0.71073","MoKα","","0.0561","0.044","","","0.1167","0.1284","","","","","","1.056","","","","has coordinates,has disorder","284882","2023-07-05","09:34:02",""
"1569228","9.8649","0.0003","34.9214","0.0014","13.1305","0.0005","90","","109.505","0.004","90","","4263.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25.14 H11.43 F11.43 N2.29 Pd1.14 -","- C25.1429 H11.4286 F11.4286 N2.28571 Pd1.14286 -","- C176 H80 F80 N16 Pd8 -","7","1.75","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-N-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","0.71073","MoKα","","0.0689","0.0394","","","0.0778","0.0971","","","","","","1.027","","","","has coordinates","284882","2023-07-05","09:34:02",""
"1569232","15.9812","0.0002","16.2986","0.0001","18.9525","0.0002","90","","111.355","0.001","90","","4597.64","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H68 Fe N3 O P -","- C52 H68 Fe N3 O P -","- C208 H272 Fe4 N12 O4 P4 -","4","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","1.54184","CuKα","","0.0392","0.0352","","","0.0927","0.0953","","","","","","1.085","","","","has coordinates","284886","2023-07-05","09:37:47",""
"1569233","9.805","0.0001","14.5687","0.0002","17.0188","0.0002","104.34","0.001","91.146","0.001","109.034","0.001","2213.03","0.05","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H58 Cl2 Fe N3 P Se -","- C48 H58 Cl2 Fe N3 P Se -","- C96 H116 Cl4 Fe2 N6 P2 Se2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0473","0.0361","","","0.0804","0.0838","","","","","","1.073","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47",""
"1569234","10.26323","0.00012","24.3533","0.0002","16.73625","0.00017","90","","97.7035","0.0011","90","","4145.36","0.07","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H68 Fe N3 P Te -","- C41 H68 Fe N3 P Te -","- C164 H272 Fe4 N12 P4 Te4 -","4","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0617","0.048","","","0.1401","0.1501","","","","","","1.078","","","","has coordinates","284886","2023-07-05","09:37:47",""
"1569235","10.5924","0.0002","20.9429","0.0003","15.9207","0.0003","90","","104.292","0.002","90","","3422.47","0.11","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C69 H100 Fe2 K2 N6 O Te -","- C69 H100 Fe2 K2 N6 O Te -","- C138 H200 Fe4 K4 N12 O2 Te2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","","0.71073","MoKα","","0.0275","0.0253","","","0.0567","0.0574","","","","","","1.048","","","","has coordinates","284886","2023-07-05","09:37:47",""
"1569236","9.8215","0.0001","24.9832","0.0003","19.1363","0.0003","90","","101.22","0.001","90","","4605.78","0.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H64 Fe N3 P S -","- C54 H64 Fe N3 P S -","- C216 H256 Fe4 N12 P4 S4 -","4","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0656","0.0553","","","0.1529","0.159","","","","","","1.028","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47",""
"1569237","23.3804","0.0002","13.8531","0.0001","23.0007","0.0001","90","","98.825","0.001","90","","7361.53","0.09","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H108 Fe2 K2 N6 O -","- C78 H108 Fe2 K2 N6 O -","- C312 H432 Fe8 K8 N24 O4 -","4","0.5","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0415","0.0377","","","0.1044","0.1067","","","","","","1.037","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47",""
"1569238","14.1307","0.0001","15.1864","0.0001","16.7593","0.0001","104.573","0.001","102.792","0.001","92.504","0.001","3375.48","0.05","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H102 Fe2 K2 N6 O2 Se -","- C66 H102 Fe2 K2 N6 O2 Se -","- C132 H204 Fe4 K4 N12 O4 Se2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0406","0.0314","","","0.0714","0.0743","","","","","","1.039","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47",""
"1569239","14.1136","0.0001","15.1869","0.0001","16.7298","0.0001","104.896","0.001","102.806","0.001","92.236","0.001","3361.61","0.04","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H102 Fe2 K2 N6 O2 S -","- C66 H102 Fe2 K2 N6 O2 S -","- C132 H204 Fe4 K4 N12 O4 S2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0372","0.0318","","","0.0772","0.0798","","","","","","1.054","","","","has coordinates","284886","2023-07-05","09:37:47",""
"1569240","28.1786","0.0002","31.8205","0.0004","36.1804","0.0005","90","","91.8449","0.001","90","","32424.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H120 As8 Au13 Cl4 -","- C144 H120 As8 Au13 Cl4 -","- C1152 H960 As64 Au104 Cl32 -","8","2","","Yu, Jiu-Hong; Yuan, Zhi-Rui; Xu, Jing; Wang, Jin-Gui; Azam, Mohammad; Li, Tian-Duo; Li, Ying-Zhou; Sun, Di","Monoarsine-protected icosahedral cluster [Au13(AsPh3)8Cl4]+: comparative studies on ligand effect and surface reactivity with its stibine analogue.","Chemical science","2023","14","24","6564","6571","10.1039/d3sc01311a","","","1.54184","CuKα","","0.1543","0.1337","","","0.3421","0.3562","","","","","","1.077","","","","has coordinates","284885","2023-07-05","09:36:35",""
"1569241","13.2861","0.0004","13.9323","0.0004","14.0077","0.0004","83.702","0.002","75.517","0.003","86.706","0.002","2494.14","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 As3 Au Cl -","- C54 H45 As3 Au Cl -","- C108 H90 As6 Au2 Cl2 -","2","1","","Yu, Jiu-Hong; Yuan, Zhi-Rui; Xu, Jing; Wang, Jin-Gui; Azam, Mohammad; Li, Tian-Duo; Li, Ying-Zhou; Sun, Di","Monoarsine-protected icosahedral cluster [Au13(AsPh3)8Cl4]+: comparative studies on ligand effect and surface reactivity with its stibine analogue.","Chemical science","2023","14","24","6564","6571","10.1039/d3sc01311a","","","1.54184","CuKα","","0.0288","0.0267","","","0.065","0.066","","","","","","1.055","","","","has coordinates","284885","2023-07-05","09:36:44",""
"1569242","5.7781","0.0002","10.145","0.0004","14.0978","0.0004","90","","90","","90","","826.4","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Chang, Kai-Hsin; Peng, Yu-Chiang; Su, Kuan-Hsuan; Lin, Yi-Hsien; Liu, Jiun-Chi; Liu, Ying-Hsuan; Hsu, Chao-Hsien; Yang, Hsiao-Ching; Chou, Pi-Tai","Long-range hydrogen-bond relay catalyses the excited-state proton transfer reaction.","Chemical science","2023","14","26","7237","7247","10.1039/d3sc01441j","","","0.71073","MoKα","","0.0434","0.0393","","","0.1069","0.1111","","","","","","1.07","","","","has coordinates","286058","2023-09-05","19:17:20",""
"1569243","14.2369","0.0003","9.021","0.0002","16.3159","0.0005","90","","109.044","0.003","90","","1980.78","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14.75 H23.55 Fe N0.95 P5 -","- C14.75 H23.55 Fe N0.95 P5 -","- C59 H94.2 Fe4 N3.8 P20 -","4","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(η5-P5)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","x-ray","0.71073","MoKα","","0.0385","0.0328","","","0.0851","0.0883","","","","","","1.051","","","","has coordinates,has disorder","286051","2023-09-05","19:13:04",""
"1569244","11.2089","0.0005","11.4407","0.0004","18.1308","0.0008","90","","105.764","0.004","90","","2237.6","0.17","123","1","123","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H30 Br Fe P5 -","- C17 H29.5 Br Fe P5 -","- C68 H118 Br4 Fe4 P20 -","4","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(η5-P5)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","x-ray","0.71073","MoKα","","0.0483","0.0349","","","0.0752","0.0807","","","","","","1.064","","","","has coordinates,has disorder","286051","2023-09-05","19:13:05",""
"1569245","8.8375","0.0004","14.5973","0.0007","16.2499","0.0008","63.684","0.005","89.773","0.004","81.732","0.004","1855.28","0.18","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H48 Fe2 P10 -","- C28 H48 Fe2 P10 -","- C56 H96 Fe4 P20 -","2","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(η5-P5)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","","1.54184","CuKα","","0.0434","0.0356","","","0.087","0.0919","","","","","","1.03","","","","has coordinates","286051","2023-09-05","19:13:05",""
"1569246","11.7026","0.0006","14.3826","0.0005","18.9471","0.0007","85.336","0.003","85.053","0.004","88.352","0.004","3165.9","0.2","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H40 Fe P6 -","- C29 H40 Fe P6 -","- C116 H160 Fe4 P24 -","4","2","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(η5-P5)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","","1.54184","CuKα","","0.0737","0.0626","","","0.1432","0.1471","","","","","","1.068","","","","has coordinates,has disorder","286051","2023-09-05","19:13:05",""
"1569247","15.5101","0.0003","12.8109","0.0002","24.2981","0.0003","90","","101.449","0.001","90","","4731.92","0.13","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H76 Cl Fe2 P10 -","- C31 H54 Fe2 P10 -","- C124 H216 Fe8 P40 -","4","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(η5-P5)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","x-ray","0.71073","MoKα","","0.0687","0.0458","","","0.1141","0.1252","","","","","","1.026","","","","has coordinates,has disorder","286051","2023-09-05","19:13:05",""
"1569257","16.9776","0.0017","14.3793","0.0004","26.623","0.003","90","","143.57","0.02","90","","3859.6","1.9","159.99","0.1","159.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H20 Bi4 O16.3 -","- C36 H20 Bi4 O16.2938 -","- C144 H80 Bi16 O65.1752 -","4","1","","Gao, Zengqiang; Hou, Man; Shi, Yongxia; Li, Li; Sun, Qisheng; Yang, Shuyuan; Jiang, Zhiqiang; Yang, Wenjuan; Zhang, Zhicheng; Hu, Wenping","A conductive catecholate-based framework coordinated with unsaturated bismuth boosts CO2 electroreduction to formate.","Chemical science","2023","14","25","6860","6866","10.1039/d3sc01876h","","x-ray","1.54184","CuKα","","0.0664","0.0612","","","0.1756","0.1804","","","","","","1.025","","","","has coordinates,has disorder","284898","2023-07-05","09:44:38",""
"1569262","12.0079","0.0009","12.4717","0.001","12.8977","0.0005","80.54","0.005","69.855","0.005","69.795","0.007","1699.5","0.2","300","0.2","300","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0579","0.0544","","","0.1592","0.1612","","","","","","1.064","","","","has coordinates","286056","2023-09-05","19:16:53",""
"1569263","12.7594","0.0001","13.8795","0.0002","20.0074","0.0003","91.925","0.001","107.483","0.001","99.844","0.001","3316.13","0.08","150","0.5","150","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0603","0.0579","","","0.1419","0.1447","","","","","","1.035","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569264","11.96519","0.00017","12.45379","0.00018","12.83894","0.00017","80.742","0.0011","69.6815","0.0013","69.7944","0.0013","1681.88","0.04","240","0.1","240","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0482","0.0428","","","0.1171","0.1207","","","","","","1.1","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569265","12.75426","0.00007","13.88144","0.00008","20.01371","0.00009","92.0011","0.0004","107.527","0.0005","99.7927","0.0005","3315.63","0.03","149.7","0.6","149.7","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0396","0.0368","","","0.1008","0.1026","","","","","","1.039","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569266","12.73249","0.00018","13.82045","0.00016","20","0.0002","91.9059","0.0009","107.561","0.0012","99.86","0.0011","3292.26","0.07","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0715","0.0675","","","0.1757","0.1815","","","","","","1.013","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569267","11.929","0.0005","12.4586","0.0004","12.8272","0.0005","80.346","0.003","69.77","0.003","69.483","0.003","1672.95","0.12","240","0.5","240","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0757","0.0712","","","0.2064","0.2108","","","","","","1.105","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569268","12.0082","0.0003","12.4839","0.0003","12.9087","0.0002","80.4846","0.0018","69.833","0.0019","69.77","0.002","1702.1","0.07","300","0.5","300","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C32 H20 Fe I2 N4 O2 -","- C64 H40 Fe2 I4 N8 O4 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0706","0.0601","","","0.1673","0.1902","","","","","","1.098","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569269","11.9612","0.0005","12.2958","0.0004","12.6524","0.0004","82.206","0.003","69.547","0.003","69.329","0.003","1631.11","0.11","10","","10","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","0.71073","MoKα","","0.0617","0.0401","","","0.0772","0.0856","","","","","","1.03","","","","has coordinates,has disorder","286056","2023-09-05","19:16:54",""
"1569270","12.7132","0.0002","13.7693","0.0002","19.9776","0.0003","91.945","0.001","107.644","0.001","100.019","0.001","3267.76","0.09","10","","10","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","0.71073","MoKα","","0.0355","0.0295","","","0.0701","0.0728","","","","","","1.047","","","","has coordinates,has disorder","286056","2023-09-05","19:16:54",""
"1569271","11.8742","0.0004","12.3742","0.0003","12.7752","0.0003","80.502","0.002","69.212","0.003","68.99","0.003","1636.7","0.09","10","","10","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","0.71073","MoKα","","0.0451","0.0315","","","0.0623","0.067","","","","","","1.043","","","","has coordinates,has disorder","286056","2023-09-05","19:16:54",""
"1569272","10.4984","0.0006","13.6723","0.0008","12.6001","0.0008","90","","108.468","0.007","90","","1715.44","0.19","298","","289","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Singh, Bara; Ansari, Arshad J.; Malik, Nirmal; Ramasastry, S. S. V.","An interrupted Corey-Chaykovsky reaction of designed azaarenium salts: synthesis of complex polycyclic spiro- and fused cyclopropanoids.","Chemical science","2023","14","25","6963","6969","10.1039/d3sc01578e","","x-ray","0.71073","MoKα","","0.1075","0.0623","","","0.1825","0.2261","","","","","","1.143","","","","has coordinates","284901","2023-07-05","09:46:21",""
"1569273","8.2759","0.0004","18.6849","0.0008","11.6613","0.0006","90","","106.981","0.005","90","","1724.62","0.15","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Singh, Bara; Ansari, Arshad J.; Malik, Nirmal; Ramasastry, S. S. V.","An interrupted Corey-Chaykovsky reaction of designed azaarenium salts: synthesis of complex polycyclic spiro- and fused cyclopropanoids.","Chemical science","2023","14","25","6963","6969","10.1039/d3sc01578e","","x-ray","0.71073","MoKα","","0.0778","0.0577","","","0.1745","0.1994","","","","","","1.2112","","","","has coordinates","284901","2023-07-05","09:46:21",""
"1569274","9.0157","0.0003","11.1293","0.0004","11.8264","0.0003","88.918","0.003","87.476","0.003","74.544","0.003","1142.59","0.07","293","2","293","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C28 H27 N O2 S -","- C28 H27 N O2 S -","- C56 H54 N2 O4 S2 -","2","1","","Singh, Bara; Ansari, Arshad J.; Malik, Nirmal; Ramasastry, S. S. V.","An interrupted Corey-Chaykovsky reaction of designed azaarenium salts: synthesis of complex polycyclic spiro- and fused cyclopropanoids.","Chemical science","2023","14","25","6963","6969","10.1039/d3sc01578e","","x-ray","0.71073","MoKα","","0.0743","0.0502","","","0.1363","0.149","","","","","","1.12","","","","has coordinates","284901","2023-07-05","09:46:21",""
"1569293","17.6863","0.0014","18.9328","0.0015","20.2709","0.0017","114.66","0.004","97.896","0.004","108.962","0.003","5531.9","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C234 H232 B4 F16 N25 O17 Pt2 -","- C204 H192 N20 O12 Pt2 -","- C204 H192 N20 O12 Pt2 -","1","0.5","","Bobylev, Eduard O.; Knol, Renzo A.; Mathew, Simon; Poole, David A.; Kotsogianni, Ioli; Martin, Nathaniel I.; de Bruin, Bas; Kros, Alexander; Reek, Joost N. H.","In vivo biodistribution of kinetically stable Pt2L4 nanospheres that show anti-cancer activity","Chemical Science","2023","14","25","6943","6952","10.1039/D3SC01086D","","x-ray","0.71073","MoKα","","0.2012","0.1262","","","0.2622","0.3166","","","","","","1.121","","","","has coordinates","284561","2023-06-29","09:04:50",""
"1569294","55.539","0.0014","8.6589","0.0003","32.5046","0.0008","90","","90.397","0.002","90","","15631.3","0.8","100","","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C155 H186 F36 N14 O7 Sb6 -","- C155 H186 F36 N14 O7 Sb6 -","- C620 H744 F144 N56 O28 Sb24 -","4","0.5","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","","0.71073","MoKα","","0.1845","0.0896","","","0.195","0.2449","","","","","","1.027","","","","has coordinates,has disorder","284562","2023-06-29","09:06:52",""
"1569295","19.1475","0.0005","13.0806","0.0003","28.6942","0.0007","90","","101.915","0.002","90","","7031.9","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H84 F11 N6 O3 Sb -","- C82 H84 F11 N6 O3 Sb -","- C328 H336 F44 N24 O12 Sb4 -","4","1","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","","0.71073","MoKα","","0.1378","0.084","","","0.1938","0.2173","","","","","","1.091","","","","has coordinates,has disorder","284562","2023-06-29","09:06:57",""
"1569296","43.9853","0.0006","47.129","0.0006","13.0964","0.0002","90","","90","","90","","27148.6","0.7","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C72 H81 F6 N6 O Sb -","- C72 H81 F6 N6 O Sb -","- C1152 H1296 F96 N96 O16 Sb16 -","16","1","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","","0.71073","MoKα","","0.0749","0.0489","","","0.0879","0.0948","","","","","","1.038","","","","has coordinates","284562","2023-06-29","09:06:58",""
"1569297","15.9748","0.0007","12.9194","0.0004","34.5124","0.001","90","","101.007","0.004","90","","6991.8","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H80 Cl6 F6 N7 O Sb -","- C72.001 H80.001 Cl6.003 F6 N7 O Sb -","- C288.004 H320.004 Cl24.012 F24 N28 O4 Sb4 -","4","1","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","x-ray","0.71073","MoKα","","0.2501","0.1194","","","0.2699","0.3281","","","","","","1.075","","","","has coordinates,has disorder","284562","2023-06-29","09:07:01",""
"1569298","10.5933","0.0002","13.7861","0.0004","16.9187","0.0004","78.826","0.001","73.728","0.001","69.733","0.001","2212.12","0.09","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H63.61 Ce Cl N2 O2 -","- C50 H63.61 Ce Cl N2 O2 -","- C100 H127.22 Ce2 Cl2 N4 O4 -","2","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.0477","0.035","","","0.0714","0.0783","","","","","","1.04","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37",""
"1569299","10.8086","0.0018","13.8161","0.0017","17.097","0.003","78.952","0.012","73.607","0.015","69.594","0.013","2283.3","0.7","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H54 Cl N2 Np O -","- C46 H54 Cl N2 Np O -","- C92 H108 Cl2 N4 Np2 O2 -","2","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.1282","0.0722","","","0.1519","0.1782","","","","","","0.989","","","","has coordinates","286035","2023-09-05","19:07:37",""
"1569300","13.8802","0.0007","15.5249","0.0008","22.0162","0.0012","90","","107.63","0.003","90","","4521.4","0.4","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H66 I N2 Np O -","- C51 H66 I N2 Np O -","- C204 H264 I4 N8 Np4 O4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.099","0.0612","","","0.1114","0.1245","","","","","","1.028","","","","has coordinates","286035","2023-09-05","19:07:37",""
"1569301","17.9304","0.0014","12.006","0.0007","26.7063","0.0018","90","","107.882","0.008","90","","5471.4","0.7","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H75 Cl2 K N2 Np O6 -","- C54 H75 Cl2 K N2 Np O6 -","- C216 H300 Cl8 K4 N8 Np4 O24 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.0732","0.0448","","","0.0796","0.0883","","","","","","1.002","","","","has coordinates","286035","2023-09-05","19:07:37",""
"1569302","13.3428","0.0016","16.9863","0.0019","25.645","0.003","90","","91.263","0.004","90","","5810.9","1.2","100","2","100.02","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H65.73 Cl2 K N2 O2 U -","- C50 H65.727 Cl2 K N2 O2 U -","- C200 H262.908 Cl8 K4 N8 O8 U4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.0635","0.0474","","","0.0808","0.0856","","","","","","1.121","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37",""
"1569303","11.4528","0.0004","21.5419","0.0009","18.1661","0.0007","90","","98.817","0.002","90","","4428.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Ce I N2 O2 -","- C50 H64 Ce I N2 O2 -","- C200 H256 Ce4 I4 N8 O8 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.0445","0.0303","","","0.0704","0.0728","","","","","","1.097","","","","has coordinates","286035","2023-09-05","19:07:37",""
"1569304","13.805","0.001","15.6334","0.0012","21.9877","0.0018","90","","108.057","0.003","90","","4511.6","0.6","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62.67 I N2 O2 Pu -","- C50 H62.6666 I N2 O2 Pu -","- C200 H250.666 I4 N8 O8 Pu4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.047","0.0377","","","0.0944","0.0985","","","","","","1.046","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37",""
"1569305","13.7779","0.0008","15.6184","0.001","21.8752","0.0013","90","","107.897","0.001","90","","4479.5","0.5","100","2","100.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62.4 I N2 O2 U -","- C50 H62.4 I N2 O2 U -","- C200 H249.6 I4 N8 O8 U4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.0184","0.0161","","","0.0353","0.0362","","","","","","1.039","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37",""
"1569306","13.3524","0.0004","16.9877","0.0005","25.6828","0.0008","90","","90.93","0.001","90","","5824.8","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H131.24 Ce2 Cl4 K2 N4 O5 -","- C100 H131.24 Ce2 Cl4 K2 N4 O5 -","- C200 H262.48 Ce4 Cl8 K4 N8 O10 -","2","0.5","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.0527","0.0417","","","0.093","0.1009","","","","","","1.085","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37",""
"1569307","8.6649","0.0008","8.8569","0.0008","9.8661","0.0009","84.893","0.003","88.222","0.003","84.477","0.003","750.47","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 I3 N -","- C11 H14 I3 N -","- C22 H28 I6 N2 -","2","1","","Meng, Zhe; Yan, Jun; Ning, Chao; Shi, Min; Wei, Yin","Construction of pyrroles, furans and thiophenes via intramolecular cascade desulfonylative/dehydrogenative cyclization of vinylidenecyclopropanes induced by NXS (X = I or Br).","Chemical science","2023","14","28","7648","7655","10.1039/d3sc01542d","","","0.71073","MoKα","","0.0873","0.0798","","","0.246","0.2527","","","","","","1.118","","","","has coordinates,has disorder","286032","2023-09-05","19:06:36",""
"1569308","11.555","0.0004","8.3352","0.0002","20.4748","0.0006","90","","105.348","0.001","90","","1901.67","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 I2 N2 O3 S -","- C16 H18 I2 N2 O3 S -","- C64 H72 I8 N8 O12 S4 -","4","1","","Meng, Zhe; Yan, Jun; Ning, Chao; Shi, Min; Wei, Yin","Construction of pyrroles, furans and thiophenes via intramolecular cascade desulfonylative/dehydrogenative cyclization of vinylidenecyclopropanes induced by NXS (X = I or Br).","Chemical science","2023","14","28","7648","7655","10.1039/d3sc01542d","","","0.71073","MoKα","","0.0277","0.0245","","","0.0571","0.0587","","","","","","1.071","","","","has coordinates","286032","2023-09-05","19:06:37",""
"1569309","13.844","0.003","14.078","0.003","20.216","0.005","83.878","0.014","87.451","0.014","75.021","0.014","3783.8","1.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","TPAPF6","","- C38.5 H37 F6 N6.5 O P -","- C41 H36.5 F6 N4 O P -","- C164 H146 F24 N16 O4 P4 -","4","2","","Zhang, Shasha; Yang, Wenfang; Lu, Xiao; Zhang, Xinyi; Pan, Zhichao; Qu, Da-Hui; Mei, Dong; Mei, Ju; Tian, He","Near-infrared AIEgens with high singlet-oxygen yields for mitochondria-specific imaging and antitumor photodynamic therapy","Chemical Science","2023","14","25","7076","7085","10.1039/D3SC00588G","","","1.54178","CuKα","","0.1288","0.0999","","","0.2792","0.3054","","","","","","0.996","","","","has coordinates,has disorder","284566","2023-06-29","09:13:21",""
"1569310","20.9301","0.0008","20.9301","0.0008","37.6852","0.0017","90","","90","","120","","14297","1","219.9","0.2","219.9","0.2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C167 H113 Cl15 Mg3 N18 Sb2 -","- C167 H113 Cl15 Mg3 N18 Sb2 -","- C501 H339 Cl45 Mg9 N54 Sb6 -","3","0.166667","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0968","0.0583","","","0.1567","0.1727","","","","","","0.975","","","","has coordinates","284567","2023-06-29","09:16:22",""
"1569311","20.9744","0.0006","20.9744","0.0006","37.5959","0.0013","90","","90","","120","","14323.5","0.8","219.9","0.4","219.9","0.4","","","","","","","","6","R -3 :H","-R 3","148","","","","- C164 H110 Bi2 Cl6 Mg3 N18 -","- C164 H110 Bi2 Cl6 Mg3 N18 -","- C492 H330 Bi6 Cl18 Mg9 N54 -","3","0.166667","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","x-ray","0.71073","MoKα","","0.045","0.0338","","","0.0799","0.0837","","","","","","1.006","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569312","13.4042","0.0003","21.6415","0.0007","24.8568","0.0008","92.283","0.003","99.219","0.002","94.883","0.002","7081.2","0.4","179.9","0.7","179.9","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C149 H98 Cl6 N15 Sb Zn3 -","- C149 H98 Cl6 N15 Sb Zn3 -","- C298 H196 Cl12 N30 Sb2 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0864","0.0589","","","0.1506","0.1705","","","","","","1.033","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569313","11.5963","0.0003","21.0912","0.0005","28.0154","0.0006","86.6057","0.0018","79.266","0.002","77.064","0.002","6560.2","0.3","180.1","0.2","180.1","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H97 Cl3 N15 Sb Zn3 -","- C148 H97 Cl3 N15 Sb Zn3 -","- C296 H194 Cl6 N30 Sb2 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0704","0.053","","","0.1297","0.1409","","","","","","1.023","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569314","11.5622","0.0005","21.0461","0.0008","27.9789","0.0009","86.862","0.003","79.147","0.003","76.921","0.003","6512.6","0.4","180","2","180.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C153 H110 Bi N15 Zn3 -","- C153 H110 Bi N15 Zn3 -","- C306 H220 Bi2 N30 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.1171","0.0598","","","0.1096","0.129","","","","","","0.934","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569315","9.4717","0.0014","15.5617","0.0007","14.976","0.002","90","","134.03","0.03","90","","1587.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Bi Cl2 N3 -","- C15 H12 Bi Cl2 N3 -","- C60 H48 Bi4 Cl8 N12 -","4","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","x-ray","0.71073","MoKα","","0.05","0.0322","","","0.058","0.0659","","","","","","1.013","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569316","9.8444","0.0006","7.4353","0.0004","14.6876","0.0008","90","","106.385","0.006","90","","1031.41","0.11","293","","293","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H17 Cl2 N4 Sb -","- C20 H17 Cl2 N4 Sb -","- C40 H34 Cl4 N8 Sb2 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0483","0.0376","","","0.0685","0.0773","","","","","","1.065","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569317","13.3955","0.0003","21.5477","0.0007","25.0484","0.0008","92.054","0.003","98.955","0.002","94.962","0.002","7106.2","0.4","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C150 H98 Bi Cl9 N15 Zn3 -","- C150 H98 Bi Cl9 N15 Zn3 -","- C300 H196 Bi2 Cl18 N30 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.091","0.0566","","","0.1448","0.1588","","","","","","1.058","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569318","11.692","0.0004","13.9994","0.0005","19.8328","0.0005","78.498","0.003","76.874","0.003","70.708","0.003","2956.47","0.18","293","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H40 Cl2 Mg N7 Sb -","- C59 H40 Cl2 Mg N7 Sb -","- C118 H80 Cl4 Mg2 N14 Sb2 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0528","0.0369","","","0.0786","0.0864","","","","","","1.03","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569319","20.6368","0.0012","20.6368","0.0012","37.744","0.002","90","","90","","120","","13920.8","1.4","219.9","0.6","219.9","0.6","","","","","","","","5","R -3 :H","-R 3","148","","","","- C162 H108 Mg3 N18 P2 -","- C162 H108 Mg3 N18 P2 -","- C486 H324 Mg9 N54 P6 -","3","0.166667","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.1173","0.0684","","","0.1786","0.2074","","","","","","0.948","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569320","13.5059","0.0004","16.2547","0.0004","30.3809","0.0008","95.529","0.002","93.028","0.002","90.23","0.002","6629.1","0.3","180","0.14","180","","","","","","","","","6","P -1","-P 1","2","","","","- C150 H99 Cl11 N15 Sb Zn3 -","- C150 H99 Cl11 N15 Sb Zn3 -","- C300 H198 Cl22 N30 Sb2 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0799","0.0547","","","0.1326","0.1501","","","","","","1.028","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569321","14.4466","0.0003","18.0374","0.0003","17.9239","0.0003","90","","98.983","0.001","90","","4613.31","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Br2 N2 O2 -","- C36 H28 Br2 N2 O2 -","- C216 H168 Br12 N12 O12 -","6","1.5","","Yin, Xiuping; Li, Xinxing; Li, Xuyi; Biczysko, Malgorzata; Zhu, Shourong; Xu, Jiaqiang; Bai, Yue-Ling","Isomerization-induced fluorescence enhancement of two new viologen derivatives: mechanism insight and DFT calculations","Chemical Science","2023","14","25","7016","7025","10.1039/D3SC02051G","","","1.34139","GaKα","","0.0836","0.0664","","","0.1779","0.1937","","","","","","1.051","","","","has coordinates","284568","2023-06-29","09:18:03",""
"1569322","26.4051","0.0017","11.762","0.0006","28.6519","0.0012","90","","110.083","0.002","90","","8357.5","0.8","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 N2 O2 -","- C28 H24 Cl2 N2 O2 -","- C336 H288 Cl24 N24 O24 -","12","3","","Yin, Xiuping; Li, Xinxing; Li, Xuyi; Biczysko, Malgorzata; Zhu, Shourong; Xu, Jiaqiang; Bai, Yue-Ling","Isomerization-induced fluorescence enhancement of two new viologen derivatives: mechanism insight and DFT calculations","Chemical Science","2023","14","25","7016","7025","10.1039/D3SC02051G","","","1.34139","GaKα","","0.1356","0.0937","","","0.2294","0.2534","","","","","","1.07","","","","has coordinates,has disorder","284568","2023-06-29","09:18:04",""
"1569323","50.1","0.2","6.67","0.02","12.67","0.01","90","","98.52","0.06","90","","4187","2","103","2","103","2","","","","","","","","3","C 1 2 1","C 2y","5","","Sartorypyrone F","","- C26 H38 O4 -","- C26 H38 O4 -","- C208 H304 O32 -","8","2","","Lin, Shu-Yi; Oakley, C. Elizabeth; Jenkinson, Cory B.; Chiang, Yi-Ming; Lee, Ching-Kuo; Jones, Christopher G.; Seidler, Paul M.; Nelson, Hosea M.; Todd, Richard B.; Wang, Clay C. C.; Oakley, Berl R.","A heterologous expression platform in Aspergillus nidulans for the elucidation of cryptic secondary metabolism biosynthetic gene clusters: discovery of the Aspergillus fumigatus sartorypyrone biosynthetic pathway.","Chemical science","2023","14","40","11022","11032","10.1039/d3sc02226a","","","0.02508","200KeVelectrons","","0.1645","0.1502","","","0.3261","0.3363","","","","","","1.285","","","","has coordinates","287319","2023-11-06","07:01:39",""
"1569324","8.0025","0.0009","8.9517","0.0008","9.587","0.001","68.099","0.004","79.046","0.004","82.806","0.003","624.48","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 F2 N2 Sb -","- C13 H15 F2 N2 Sb -","- C26 H30 F4 N4 Sb2 -","2","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0225","0.0194","","","0.0446","0.046","","","","","","1.081","","","","has coordinates","284570","2023-06-29","09:20:56",""
"1569325","17.2704","0.0008","12.0396","0.0006","7.6022","0.0003","90","","108.934","0.002","90","","1495.19","0.12","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H15 Br2 N2 Sb -","- C13 H15 Br2 N2 Sb -","- C52 H60 Br8 N8 Sb4 -","4","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0141","0.0137","","","0.033","0.0332","","","","","","1.033","","","","has coordinates","284570","2023-06-29","09:21:01",""
"1569326","8.7403","0.0009","9.2435","0.0006","22.984","0.003","90","","95.441","0.004","90","","1848.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Bi2 Cl4 N4 O2 -","- C34 H46 Bi2 Cl4 N4 O2 -","- C68 H92 Bi4 Cl8 N8 O4 -","2","0.5","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0262","0.0187","","","0.0324","0.0348","","","","","","1.044","","","","has coordinates","284570","2023-06-29","09:21:01",""
"1569327","12.4279","0.0006","7.8441","0.0004","19.0889","0.001","90","","96.771","0.002","90","","1847.92","0.16","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl2 N2 Sb -","- C19 H19 Cl2 N2 Sb -","- C76 H76 Cl8 N8 Sb4 -","4","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0288","0.0224","","","0.0461","0.0487","","","","","","1.063","","","","has coordinates","284570","2023-06-29","09:21:01",""
"1569328","7.7393","0.0007","15.609","0.002","36.44","0.005","90","","93.984","0.003","90","","4391.4","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Bi Cl2 N2 -","- C22 H25 Bi Cl2 N2 -","- C176 H200 Bi8 Cl16 N16 -","8","2","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0519","0.0464","","","0.1047","0.109","","","","","","1.064","","","","has coordinates","284570","2023-06-29","09:21:01",""
"1569329","10.7292","0.0005","9.9358","0.0006","13.955","0.0007","90","","91.646","0.002","90","","1487.03","0.14","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl2 N2 Sb -","- C13 H15 Cl2 N2 Sb -","- C52 H60 Cl8 N8 Sb4 -","4","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0176","0.0151","","","0.0368","0.0379","","","","","","1.094","","","","has coordinates,has disorder","284570","2023-06-29","09:21:02",""
"1569330","22.9835","0.0006","22.9835","0.0006","14.1686","0.0004","90","","90","","90","","7484.4","0.3","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C19 H19 Bi Cl2 N2 -","- C19 H19 Bi Cl2 N2 -","- C304 H304 Bi16 Cl32 N32 -","16","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0221","0.0187","","","0.0438","0.0452","","","","","","1.049","","","","has coordinates","284570","2023-06-29","09:21:02",""
"1569331","7.7567","0.0009","11.3335","0.0015","13.6924","0.0017","65.998","0.003","80.92","0.003","76.814","0.003","1067.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Cl2 N2 Sb -","- C22 H25 Cl2 N2 Sb -","- C44 H50 Cl4 N4 Sb2 -","2","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0196","0.0178","","","0.0446","0.0455","","","","","","1.078","","","","has coordinates","284570","2023-06-29","09:21:02",""
"1569332","12.379","0.004","12.587","0.004","18.983","0.006","79.607","0.007","75.288","0.007","80.032","0.007","2788.6","1.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H36 B Cl F24 N2 Sb -","- C54 H36 B Cl F24 N2 Sb -","- C108 H72 B2 Cl2 F48 N4 Sb2 -","2","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0569","0.0445","","","0.1123","0.1195","","","","","","1.068","","","","has coordinates,has disorder","284570","2023-06-29","09:21:02",""
"1569333","11.5264","0.0008","12.3665","0.0009","14.7242","0.0008","88.001","0.002","88.826","0.002","64.702","0.002","1896.3","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cl4 N2 O6 -","- C42 H34 Cl4 N2 O6 -","- C84 H68 Cl8 N4 O12 -","2","1","","Sneddon, Dorian S.; Hoye, Thomas R.","The contrasting reactivity of trans- vs. cis-azobenzenes (ArN[double bond, length as m-dash]NAr) with benzynes.","Chemical science","2023","14","24","6730","6737","10.1039/d3sc02253f","","","0.71073","MoKα","","0.057","0.045","","","0.1141","0.1234","","","","","","1.033","","","","has coordinates","284571","2023-06-29","09:22:23",""
"1569334","11.824","0.004","19.935","0.006","24.553","0.008","105.035","0.007","102.319","0.007","97.01","0.008","5363","3","130","2","130","2","","","","","","","","5","P -1","-P 1","2","23003z","","","- C126 H123 N9 O12 Si4 -","- C126 H123 N9 O12 Si4 -","- C252 H246 N18 O24 Si8 -","2","1","","Sneddon, Dorian S.; Hoye, Thomas R.","The contrasting reactivity of trans- vs. cis-azobenzenes (ArN[double bond, length as m-dash]NAr) with benzynes.","Chemical science","2023","14","24","6730","6737","10.1039/d3sc02253f","","","0.71073","MoKα","","0.1737","0.0931","","","0.2098","0.2564","","","","","","1.023","","","","has coordinates","284571","2023-06-29","09:22:23",""
"1569335","8.2186","0.0009","10.7453","0.0013","12.237","0.0014","115.168","0.003","93.669","0.004","93.606","0.004","971.2","0.2","213","2","213","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C50 H44 O8 -","2","1","","Li, Can; Zhou, Zhengnan; Ma, Shengming","A Pd-catalyzed highly selective three-component protocol for trisubstituted allenes.","Chemical science","2023","14","28","7709","7715","10.1039/d3sc01849k","","","0.71073","MoKα","","0.0397","0.0361","","","0.0911","0.0943","","","","","","1.023","","","","has coordinates","286030","2023-09-05","19:05:54",""
"1569336","10.0066","0.0005","34.6611","0.0004","13.2116","0.0007","90","","139.278","0.011","90","","2989.4","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F10 N2 Ni -","- C13 H8 F10 N2 Ni -","- C104 H64 F80 N16 Ni8 -","8","2","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","0.71073","MoKα","","0.0606","0.0537","","","0.1224","0.1251","","","","","","1.145","","","","has coordinates,has disorder","284573","2023-06-29","09:25:04",""
"1569337","10.6069","0.0003","10.0489","0.0002","11.2681","0.0003","90","","98.067","0.002","90","","1189.16","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F10 N4 Ni -","- C24 H20 F10 N4 Ni -","- C48 H40 F20 N8 Ni2 -","2","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0629","0.058","","","0.1748","0.1802","","","","","","1.128","","","","has coordinates","284573","2023-06-29","09:25:04",""
"1569338","10.22025","0.00017","14.9324","0.0003","17.5031","0.0002","90","","105.407","0.0017","90","","2575.2","0.08","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 F18 N2 Ni2 O -","- C20 H18 F18 N2 Ni2 O -","- C80 H72 F72 N8 Ni8 O4 -","4","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0518","0.0438","","","0.1254","0.1317","","","","","","1.051","","","","has coordinates","284573","2023-06-29","09:25:04",""
"1569339","20.0089","0.0005","9.688","0.0001","20.2007","0.0006","90","","118.582","0.003","90","","3438.62","0.17","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 F12 N4 Ni2 O9 -","- C28 H22 F12 N4 Ni2 O9 -","- C112 H88 F48 N16 Ni8 O36 -","4","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0373","0.0359","","","0.0987","0.0997","","","","","","1.082","","","","has coordinates","284573","2023-06-29","09:25:04",""
"1569340","7.472","0.0004","8.6669","0.0004","12.3403","0.0006","99.771","0.004","105.008","0.004","105.431","0.004","719.21","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 F6 N4 Ni O6 -","- C28 H26 F6 N4 Ni O6 -","- C28 H26 F6 N4 Ni O6 -","1","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0551","0.0482","","","0.1287","0.1329","","","","","","1.063","","","","has coordinates,has disorder","284573","2023-06-29","09:25:04",""
"1569341","9.6861","0.0001","13.9546","0.0001","10.8974","0.0001","90","","110.646","0.001","90","","1378.36","0.02","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 F10 N2 Ni -","- C12 H6 F10 N2 Ni -","- C48 H24 F40 N8 Ni4 -","4","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0344","0.034","","","0.0848","0.085","","","","","","1.101","","","","has coordinates","284573","2023-06-29","09:25:04",""
"1569342","9.3627","0.0004","9.4114","0.0004","9.5203","0.0003","110.183","0.004","114.583","0.004","99.41","0.004","668.08","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 F14 N4 Ni -","- C26 H20 F14 N4 Ni -","- C26 H20 F14 N4 Ni -","1","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0598","0.0544","","","0.1526","0.1568","","","","","","1.063","","","","has coordinates,has disorder","284573","2023-06-29","09:25:05",""
"1569343","8.6514","0.0002","13.0136","0.0003","13.6104","0.0004","88.652","0.002","84.551","0.002","71.915","0.002","1450.03","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 F10 N4 Ni O4 -","- C26 H20 F10 N4 Ni O4 -","- C52 H40 F20 N8 Ni2 O8 -","2","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0494","0.045","","","0.1232","0.1265","","","","","","1.064","","","","has coordinates,has disorder","284573","2023-06-29","09:25:05",""
"1569344","11.5628","0.0005","13.9251","0.0007","17.4612","0.0007","90","","101.679","0.004","90","","2753.3","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl2 F18 N3 Ni2 -","- C19 H15 Cl2 F18 N3 Ni2 -","- C76 H60 Cl8 F72 N12 Ni8 -","4","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.1239","0.0832","","","0.2121","0.2411","","","","","","1.05","","","","has coordinates","284573","2023-06-29","09:25:05",""
"1569345","12.2434","0.0003","13.7951","0.0003","19.1053","0.0004","99.235","0.003","93.899","0.003","94.115","0.004","3166.45","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F22 N2 Ni2 O5 -","- C24 H18 F22 N2 Ni2 O5 -","- C96 H72 F88 N8 Ni8 O20 -","4","2","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0827","0.0694","","","0.1911","0.2021","","","","","","1.092","","","","has coordinates","284573","2023-06-29","09:25:05",""
"1569346","15.4147","0.0005","10.4118","0.0004","12.7924","0.0004","90","","90","","90","","2053.11","0.12","298.37","0.1","298.37","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C92 H100 N4 O12 S4 -","4","1","","Lin, Han-Ze; Qi, Zhuang; Wu, Qi-Min; Jiang, Yong-Yu; Peng, Jin-Bao","Palladium-catalyzed intramolecular asymmetric hydrocyclopropanylation of alkynes: synthesis of cyclopropane-fused γ-lactams.","Chemical science","2023","14","27","7564","7568","10.1039/d3sc02168h","","x-ray","1.54184","CuKα","","0.0592","0.0548","","","0.1463","0.153","","","","","","1.015","","","","has coordinates","286033","2023-09-05","19:06:57",""
"1569347","6.7397","0.0002","8.1678","0.0002","16.0806","0.0005","93.714","0.002","95.548","0.002","96.111","0.002","873.54","0.04","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H29 Cl2 N2 O6 S2 -","- C38 H29 Cl2 N2 O6 S2 -","- C38 H29 Cl2 N2 O6 S2 -","1","1","","Lin, Han-Ze; Qi, Zhuang; Wu, Qi-Min; Jiang, Yong-Yu; Peng, Jin-Bao","Palladium-catalyzed intramolecular asymmetric hydrocyclopropanylation of alkynes: synthesis of cyclopropane-fused γ-lactams.","Chemical science","2023","14","27","7564","7568","10.1039/d3sc02168h","","","1.54184","CuKα","","0.0733","0.0594","","","0.1584","0.1721","","","","","","1.031","","","","has coordinates","286033","2023-09-05","19:06:57",""
"1569348","6.9158","0.0003","7.5748","0.0003","17.5449","0.0006","90","","94.912","0.003","90","","915.73","0.06","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C44 H50 N2 O4 -","2","1","","Mikan, Charles P.; Matthews, Aidan; Harris, Daniel; McIvor, Charlotte E.; Waddell, Paul G.; Sims, Mark T.; Knowles, Jonathan P.","Stereoselective two-carbon ring expansion of allylic amines via electronic control of palladium-promoted equilibria","Chemical Science","2023","14","25","6992","6996","10.1039/D3SC02303F","","x-ray","1.54184","CuKα","","0.0484","0.0459","","","0.1257","0.1277","","","","","","1.079","","","","has coordinates","284575","2023-06-29","09:26:56",""
"1569349","7.1457","0.0001","14.9447","0.0003","33.743","0.0007","90","","90","","90","","3603.43","0.12","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H49 Cl2 N O9 S -","- C35 H49 Cl2 N O9 S -","- C140 H196 Cl8 N4 O36 S4 -","4","1","","Mikan, Charles P.; Matthews, Aidan; Harris, Daniel; McIvor, Charlotte E.; Waddell, Paul G.; Sims, Mark T.; Knowles, Jonathan P.","Stereoselective two-carbon ring expansion of allylic amines via electronic control of palladium-promoted equilibria","Chemical Science","2023","14","25","6992","6996","10.1039/D3SC02303F","","x-ray","1.54184","CuKα","","0.0617","0.053","","","0.1233","0.1275","","","","","","1.057","","","","has coordinates,has disorder","284575","2023-06-29","09:26:56",""
"1569350","14.1114","0.0008","17.2949","0.001","19.1195","0.0011","92.959","0.002","105.254","0.002","90.553","0.002","4494.5","0.4","104","2","104","","","","","","","","","3","P -1","-P 1","2","","","","- C62.5 H47 Cl -","- C62.5 H47 Cl -","- C250 H188 Cl4 -","4","2","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.1296","0.1218","","","0.3018","0.3038","","","","","","1.152","","","","has coordinates","286026","2023-09-05","19:04:05",""
"1569351","15.4947","0.0008","17.9161","0.0009","19.1436","0.001","86.013","0.003","86.561","0.003","73.993","0.003","5091.3","0.5","100","","100","","","","","","","","","2","P -1","-P 1","2","","","","- C138 H134 -","- C138 H134 -","- C276 H268 -","2","1","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.0652","0.0585","","","0.1513","0.1568","","","","","","1.043","","","","has coordinates,has disorder","286026","2023-09-05","19:04:06",""
"1569352","37.1031","0.0013","18.2874","0.0006","30.6172","0.001","90","","123.328","0.002","90","","17357.8","1.1","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C116 H108 -","- C116 H108 -","- C928 H864 -","8","1","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.0681","0.0562","","","0.1372","0.1453","","","","","","1.043","","","","has coordinates,has disorder","286026","2023-09-05","19:04:06",""
"1569353","12.6773","0.0003","17.7433","0.0004","18.0024","0.0004","72.511","0.001","77.902","0.001","82.932","0.002","3768.61","0.15","100","2","100","","","","","","","","","2","P -1","-P 1","2","","","","- C105.99 H77.99 -","- C105.993 H77.992 -","- C211.986 H155.984 -","2","1","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.1047","0.0766","","","0.1801","0.2001","","","","","","1.045","","","","has coordinates,has disorder","286026","2023-09-05","19:04:06",""
"1569380","23.1223","0.0006","10.6267","0.0003","11.3533","0.0003","90","","98.087","0.001","90","","2761.92","0.13","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H48 I N6 P -","- C23 H48 I N6 P -","- C92 H192 I4 N24 P4 -","4","0.5","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0431","0.0405","","","0.0971","0.0985","","","","","","1.24","","","","has coordinates,has disorder","286028","2023-09-05","19:05:28",""
"1569381","9.5526","0.0003","12.6149","0.0005","14.1053","0.0005","106.682","0.002","106.508","0.002","103.779","0.002","1463.45","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H47 I2 N6 P -","- C23 H47 I2 N6 P -","- C46 H94 I4 N12 P2 -","2","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0373","0.033","","","0.0844","0.0873","","","","","","1.085","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569382","12.9856","0.0003","9.8313","0.0002","20.5049","0.0005","90","","101.643","0.001","90","","2563.9","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(sItBuN)2PMe","","- C23 H47 N6 P -","- C23 H47 N6 P -","- C92 H188 N24 P4 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0399","0.0388","","","0.1018","0.1026","","","","","","1.157","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569383","19.1275","0.0009","9.9593","0.0005","17.3077","0.0008","90","","92.711","0.003","90","","3293.4","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H47 I4 N6 P -","- C23 H47 I4 N6 P -","- C92 H188 I16 N24 P4 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0431","0.0379","","","0.1013","0.1061","","","","","","1.076","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569384","13.7117","0.0005","16.9823","0.0009","29.5424","0.0008","74.076","0.003","82.009","0.003","67.187","0.004","6093.5","0.5","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C110 H118 B2 F48 N12 O P2 -","- C110 H118 B2 F48 N12 O P2 -","- C220 H236 B4 F96 N24 O2 P4 -","2","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","x-ray","0.71073","MoKα","","0.0664","0.0545","","","0.1386","0.1503","","","","","","1.062","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569385","27.9781","0.0006","12.6688","0.0003","28.6912","0.0006","90","","90","","90","","10169.6","0.4","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C55 H75 N6 P -","- C55 H75 N6 P -","- C440 H600 N48 P8 -","8","2","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0748","0.0641","","","0.1602","0.1679","","","","","","1.085","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569386","12.9765","0.0002","20.2016","0.0004","20.259","0.0004","90","","104.944","0.001","90","","5131.2","0.17","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H73 N6 P -","- C55 H73 N6 P -","- C220 H292 N24 P4 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0869","0.0606","","","0.1412","0.1534","","","","","","1.036","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569387","12.1219","0.0002","21.3779","0.0003","22.6","0.0003","106.534","0.0007","90.8992","0.0007","91.4357","0.0007","5611.07","0.14","100","2","100.02","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H74 F3 N6 O3 P S -","- C56 H74 F3 N6 O3 P S -","- C224 H296 F12 N24 O12 P4 S4 -","4","2","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0741","0.0529","","","0.1282","0.139","","","","","","1.025","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569388","13.5828","0.0004","48.1844","0.0012","19.0661","0.0005","90","","92.09","0.002","90","","12470.1","0.6","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C117.75 H157 F12 N12 O12.5 P2 S4 -","- C117.75 H157 F12 N12 O12.5 P2 S4 -","- C471 H628 F48 N48 O50 P8 S16 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.1184","0.0981","","","0.2195","0.2281","","","","","","1.13","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569389","9.1061","0.0002","12.0634","0.0002","14.0083","0.0003","90","","90","","90","","1538.82","0.05","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Wu, Changhui; Chang, Zhiqian; Peng, Chuanyong; Bai, Chen; Xing, Junhao; Dou, Xiaowei","Catalytic asymmetric indolization by a desymmetrizing [3 + 2] annulation strategy.","Chemical science","2023","14","29","7980","7987","10.1039/d3sc02474a","","","1.54178","CuKα","","0.0339","0.0317","","","0.0772","0.0793","","","","","","1.05","","","","has coordinates","286029","2023-09-05","19:05:46",""
"1569390","7.3445","0.0019","23.984","0.003","13.177","0.0013","90","","90","","90","","2321.1","0.7","298","","298","","710000","","710000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C35.1 H35.5 O14.2 Sc2 -","- C35.02 H36.4208 O14.32 Sc2 -","- C70.04 H72.8416 O28.64 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","x-ray","0.4859","synchrotron","","0.1523","0.1371","","","0.4127","0.4424","","","","","","2.065","","","","has coordinates,has disorder","286031","2023-09-05","19:06:24",""
"1569391","7.3205","0.0015","26.609","0.005","11.922","0.002","90","","90","","90","","2322.3","0.8","298","","298","","470000","","470000","","","","","5","C m m a","-C 2a 2","67","GUF-1","","","- C35.8 H29.7 N O12.3 Sc2 -","- C35.84 H29.72 N1.04 O12.28 Sc2 -","- C71.68 H59.44 N2.08 O24.56 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1788","0.1393","","","0.3403","0.3704","","","","","","1.299","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569392","7.29","0.003","22.957","0.004","13.4286","0.0014","90","","90","","90","","2247.4","1","298","","298","","2130000","","2130000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.5 H41.26 O15.48 Sc2 -","- C33.38 H23.52 O10 Sc2 -","- C66.76 H47.04 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1525","0.1425","","","0.4148","0.4296","","","","","","1.905","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569393","7.3533","0.0015","26.584","0.005","11.879","0.002","90","","90","","90","","2322.1","0.8","298","","298","","230000","","230000","","","","","5","C m m a","-C 2a 2","67","GUF-1","","","- C36.1 H28.4 N1.2 O11.7 Sc2 -","- C36.2 H30 N1.6 O11.8 Sc2 -","- C72.4 H60 N3.2 O23.6 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1256","0.1025","","","0.271","0.2879","","","","","","1.103","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569394","7.241","0.004","22.814","0.007","13.473","0.003","90","","90","","90","","2225.7","1.5","298","","298","","2610000","","2610000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.8 H41.32 O15.76 Sc2 -","- C33.64 H24.56 O10 Sc2 -","- C67.28 H49.12 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1265","0.1136","","","0.3519","0.3628","","","","","","1.47","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569395","7.18","0.002","22.587","0.004","13.5541","0.0013","90","","90","","90","","2198.1","0.8","298","","298","","3200000","","3200000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.6 H40.6 O15.6 Sc2 -","- C33.44 H23.76 O10 Sc2 -","- C66.88 H47.52 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1189","0.1106","","","0.3495","0.3636","","","","","","1.663","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569396","7.0143","0.0012","21.941","0.007","13.6972","0.0019","90","","90","","90","","2108","0.8","298","","298","","4980000","","4980000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.6 H40.4 O15.5 Sc2 -","- C33.96 H25.84 O10 Sc2 -","- C67.92 H51.68 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.125","0.1109","","","0.3232","0.3328","","","","","","1.216","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569397","7.1429","0.0017","22.463","0.003","13.5504","0.0012","90","","90","","90","","2174.2","0.6","298","","298","","3450000","","3450000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.3 H39.12 O15.26 Sc2 -","- C33.56 H24.24 O10 Sc2 -","- C67.12 H48.48 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1266","0.1158","","","0.3457","0.357","","","","","","1.598","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569398","7.0769","0.0014","22.232","0.004","13.613","0.0015","90","","90","","90","","2141.8","0.6","298","","298","","4110000","","4110000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.5 H40.2 O15.5 Sc2 -","- C33.8 H25.2 O10 Sc2 -","- C67.6 H50.4 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1048","0.0904","","","0.2598","0.2702","","","","","","1.104","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569399","7.1069","0.0018","22.297","0.004","13.5858","0.0016","90","","90","","90","","2152.8","0.7","298","","298","","3850000","","3850000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.3 H39.22 O15.26 Sc2 -","- C33.36 H23.44 O10 Sc2 -","- C66.72 H46.88 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1487","0.1301","","","0.4137","0.4264","","","","","","1.807","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569400","7.213","0.002","22.789","0.003","13.4966","0.0013","90","","90","","90","","2218.5","0.7","298","","298","","2840000","","2840000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.5 H40.48 O15.76 Sc2 -","- C33.44 H23.76 O10 Sc2 -","- C66.88 H47.52 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1189","0.1106","","","0.3495","0.3636","","","","","","1.663","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569401","7.038","0.0015","22.061","0.006","13.652","0.002","90","","90","","90","","2119.7","0.8","298","","298","","4600000","","4600000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C36.2 H35.2 O14.2 Sc2 -","- C33.7 H24.8 O10 Sc2 -","- C67.4 H49.6 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1225","0.1003","","","0.2767","0.2932","","","","","","1.095","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569402","7.3292","0.0016","23.332","0.003","13.3614","0.0011","90","","90","","90","","2284.9","0.6","298","","298","","1610000","","1610000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C36.74 H35.36 O13.74 Sc2 -","- C33.86 H25.44 O10 Sc2 -","- C67.72 H50.88 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1452","0.13","","","0.4145","0.4401","","","","","","1.888","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569403","7.3054","0.0005","26.5207","0.0017","11.755","0.0009","90","","90","","90","","2277.5","0.3","273","2","273.15","","","","","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- H24 N1.2 O10.6 Sc2 -","- C34.4 H24 N1.2 O10.6 Sc2 -","- C68.8 H48 N2.4 O21.2 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.71073","MoKα","","0.0925","0.0904","","","0.2662","0.2682","","","","","","1.073","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569404","9.7802","0.0003","23.3448","0.0007","13.2357","0.0004","90","","111.722","0.002","90","","2807.35","0.15","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 F3 N2 O5 P -","- C23 H38 F3 N2 O5 P -","- C92 H152 F12 N8 O20 P4 -","4","1","","Piris, Patricia; Buric, Duje; Yamasaki, Toshihide; Huchedé, Paul; Rossi, Maïlys; Matteudi, Mélanie; Montero, Marie-Pierre; Rodallec, Anne; Appay, Romain; Roux, Christine; Combes, Sébastien; Pasquier, Eddy; Castets, Marie; André, Nicolas; Brémond, Paul; Carré, Manon","Conditional generation of free radicals by selective activation of alkoxyamines: towards more effective and less toxic targeting of brain tumors.","Chemical science","2023","14","29","7988","7998","10.1039/d3sc01315d","","x-ray","0.71073","MoKα","","0.1418","0.0637","","","0.1623","0.2218","","","","","","1.024","","","","has coordinates","286025","2023-09-05","19:02:34",""
"1569405","9.6414","0.0002","17.8695","0.0003","16.8961","0.0004","90","","110.21","","90","","2731.76","0.1","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 F3 N2 O5 P -","- C23 H38 F3 N2 O5 P -","- C92 H152 F12 N8 O20 P4 -","4","1","","Piris, Patricia; Buric, Duje; Yamasaki, Toshihide; Huchedé, Paul; Rossi, Maïlys; Matteudi, Mélanie; Montero, Marie-Pierre; Rodallec, Anne; Appay, Romain; Roux, Christine; Combes, Sébastien; Pasquier, Eddy; Castets, Marie; André, Nicolas; Brémond, Paul; Carré, Manon","Conditional generation of free radicals by selective activation of alkoxyamines: towards more effective and less toxic targeting of brain tumors.","Chemical science","2023","14","29","7988","7998","10.1039/d3sc01315d","","x-ray","0.71073","MoKα","","0.1355","0.0813","","","0.2216","0.272","","","","","","1.045","","","","has coordinates","286025","2023-09-05","19:02:34",""
"1569408","31.196","0.003","31.607","0.003","44.006","0.004","90","","91.733","0.002","90","","43371","7","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C432 H334 Ca24 Cl6 O186 -","- C432 H334 Ca24 Cl6 O200 -","- C864 H668 Ca48 Cl12 O400 -","2","0.5","","Sikligar, Kanishka; Kelley, Steven P.; Wagle, Durgesh V.; Ishtaweera, Piyuni; Baker, Gary A.; Atwood, Jerry L.","Nanocapsules of unprecedented internal volume seamed by calcium ions.","Chemical science","2023","14","34","9063","9067","10.1039/d3sc01629c","","","0.7749","synchrotron","","0.1893","0.1663","","","0.4734","0.5175","","","","","","2.606","","","","has coordinates,has disorder","286074","2023-09-05","19:23:06",""
"1569409","36.2373","0.0012","36.2373","0.0012","36.2373","0.0012","90","","90","","90","","47585","3","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C534 H732 Ca38 N24 Na24 O290 -","- C534 H534 Ca38 N24 Na24 O290 -","- C1068 H1068 Ca76 N48 Na48 O580 -","2","0.0208333","","Sikligar, Kanishka; Kelley, Steven P.; Wagle, Durgesh V.; Ishtaweera, Piyuni; Baker, Gary A.; Atwood, Jerry L.","Nanocapsules of unprecedented internal volume seamed by calcium ions.","Chemical science","2023","14","34","9063","9067","10.1039/d3sc01629c","","","1.54178","CuKα","","0.1333","0.1136","","","0.3689","0.4261","","","","","","2.184","","","","has coordinates,has disorder","286074","2023-09-05","19:23:07",""
"1569425","16.0157","0.0005","16.9055","0.0006","8.2684","0.0002","90","","90","","90","","2238.7","0.12","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H30 N4 O3 -","- C24 H30 N4 O3 -","- C96 H120 N16 O12 -","4","0.5","","Yang, Zhaozheng; Esteve, Ferran; Antheaume, Cyril; Lehn, Jean-Marie","Dynamic covalent self-assembly and self-sorting processes in the formation of imine-based macrocycles and macrobicyclic cages.","Chemical science","2023","14","24","6631","6642","10.1039/d3sc01174g","","","0.71073","MoKα","","0.0513","0.0432","","","0.1117","0.1168","","","","","","1.054","","","","has coordinates","284771","2023-07-04","03:58:51",""
"1569426","8.9175","0.0004","9.6423","0.0005","10.4108","0.0005","62.612","0.002","67.462","0.002","72.983","0.002","726.71","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 N4 O2 -","- C36 H36 N4 O2 -","- C36 H36 N4 O2 -","1","0.5","","Yang, Zhaozheng; Esteve, Ferran; Antheaume, Cyril; Lehn, Jean-Marie","Dynamic covalent self-assembly and self-sorting processes in the formation of imine-based macrocycles and macrobicyclic cages.","Chemical science","2023","14","24","6631","6642","10.1039/d3sc01174g","","","0.71073","MoKα","","0.0498","0.0394","","","0.1026","0.1104","","","","","","1.025","","","","has coordinates","284771","2023-07-04","03:58:52",""
"1569427","12.9054","0.001","13.4545","0.0011","22.5621","0.0018","76.114","0.003","82.526","0.003","62.714","0.003","3379","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H69 Cl9 N8 -","- C75 H69 Cl9 N8 -","- C150 H138 Cl18 N16 -","2","1","","Yang, Zhaozheng; Esteve, Ferran; Antheaume, Cyril; Lehn, Jean-Marie","Dynamic covalent self-assembly and self-sorting processes in the formation of imine-based macrocycles and macrobicyclic cages.","Chemical science","2023","14","24","6631","6642","10.1039/d3sc01174g","","","0.71073","MoKα","","0.0831","0.0659","","","0.1778","0.1941","","","","","","1.031","","","","has coordinates","284771","2023-07-04","03:58:52",""
"1569428","21.8313","0.0006","21.8313","0.0006","11.5605","0.0004","90","","90","","120","","4771.6","0.2","255","","255","","","","","","","","","5","P 65","P 65","170","","","","- C35 H31 N3 O4 S -","- C35 H31 N3 O4 S -","- C210 H186 N18 O24 S6 -","6","1","","Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei","Rhodium-catalyzed atroposelective access to trisubstituted olefins via C-H bond olefination of diverse arenes.","Chemical science","2023","14","29","7999","8005","10.1039/d3sc02714g","","","1.54178","CuKα","","0.0274","0.0268","","","0.071","0.0715","","","","","","1.053","","","","has coordinates","286024","2023-09-05","19:02:22",""
"1569429","9.1729","0.0004","15.6495","0.0007","19.844","0.0008","90","","90","","90","","2848.6","0.2","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 N O3 S -","- C34 H33 N O3 S -","- C136 H132 N4 O12 S4 -","4","1","","Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei","Rhodium-catalyzed atroposelective access to trisubstituted olefins via C-H bond olefination of diverse arenes.","Chemical science","2023","14","29","7999","8005","10.1039/d3sc02714g","","","1.54178","CuKα","","0.0436","0.0424","","","0.118","0.1191","","","","","","1.051","","","","has coordinates","286024","2023-09-05","19:02:22",""
"1569430","14.7897","0.0015","13.9358","0.0014","27.027","0.003","90","","103.411","0.004","90","","5418.5","1","153","","153","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H54 Cl4 N2 O4 P Rh -","- C57 H54 Cl4 N2 O4 P Rh -","- C228 H216 Cl16 N8 O16 P4 Rh4 -","4","2","","Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei","Rhodium-catalyzed atroposelective access to trisubstituted olefins via C-H bond olefination of diverse arenes.","Chemical science","2023","14","29","7999","8005","10.1039/d3sc02714g","","","1.54178","CuKα","","0.0527","0.0518","","","0.1319","0.1327","","","","","","1.061","","","","has coordinates","286024","2023-09-05","19:02:22",""
"1569431","6.0808","0.0001","13.2575","0.0002","31.0012","0.0005","90","","90","","90","","2499.2","0.07","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (1S,2S,4aS)-1,4a-dimethyl-7-nitro-2-(nitrooxy)-6-phenyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate","","- C26 H27 N2 O9 -","- C26 H27 N2 O9 -","- C104 H108 N8 O36 -","4","1","","Nandi, Rhituparna; Niyogi, Sovan; Kundu, Sourav; Gavit, Vipin R.; Munda, Mintu; Murmu, Ranjit; Bisai, Alakesh","Total synthesis of atropisomeric indolosesquiterpenoids via N-N bond formation: dixiamycins A and B.","Chemical science","2023","14","30","8047","8053","10.1039/d2sc07119c","","","1.54184","CuKα","","0.0861","0.0748","","","0.205","0.2139","","","","","","1.042","","","","has coordinates","286062","2023-09-05","19:18:51",""
"1569432","12.5024","0.0001","16.6275","0.0002","17.2067","0.0002","100.567","0.001","109.891","0.001","104.994","0.001","3100.64","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H50 O37 Zr6 -","- C28 H50 O37 Zr6 -","- C56 H100 O74 Zr12 -","2","1","","Murali, Meenu; Bijani, Christian; Daran, Jean-Claude; Manoury, Eric; Poli, Rinaldo","Acetate exchange mechanism on a Zr12 oxo hydroxo cluster: relevance for reshaping Zr-carboxylate coordination adaptable networks.","Chemical science","2023","14","30","8152","8163","10.1039/d3sc02204h","","x-ray","1.54184","CuKα","","0.0395","0.037","","","0.1077","0.1097","","","","","","1.081","","","","has coordinates","286059","2023-09-05","19:18:15",""
"1569446","22.0253","0.0007","14.2617","0.0005","22.4081","0.0008","90","","119.274","0.001","90","","6139.9","0.4","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73.5 H70.26 B2 N4.75 O2 Ru S2 -","- C73.504 H70.256 B2 N4.752 O2 Ru S2 -","- C294.016 H281.024 B8 N19.008 O8 Ru4 S8 -","4","1","","Marr, Zoe Y.; Thapa Magar, Rajani; Fournier, Bertrand; Benedict, Jason B.; Rack, Jeffrey J.","Photocrystallography of [Ru(bpy)2(dmso)2]2+ reveals an O-bonded metastable state","Chemical Science","2023","14","26","7279","7284","10.1039/D3SC01526B","","","0.71073","MoKα","","0.064","0.0436","","","0.1025","0.1123","","","","","","1.037","","","","has coordinates,has disorder","284996","2023-07-05","22:12:52",""
"1569447","22.0479","0.0008","14.2689","0.0006","22.3824","0.0009","90","","119.173","0.001","90","","6148.3","0.4","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73.51 H70.28 B2 N4.76 O2 Ru S2 -","- C73.516 H70.274 B2 N4.758 O2 Ru S2 -","- C294.064 H281.096 B8 N19.032 O8 Ru4 S8 -","4","1","","Marr, Zoe Y.; Thapa Magar, Rajani; Fournier, Bertrand; Benedict, Jason B.; Rack, Jeffrey J.","Photocrystallography of [Ru(bpy)2(dmso)2]2+ reveals an O-bonded metastable state","Chemical Science","2023","14","26","7279","7284","10.1039/D3SC01526B","","","0.71073","MoKα","","0.0583","0.041","","","0.1018","0.1091","","","","","","1.027","","","","has coordinates,has disorder","284996","2023-07-05","22:13:05",""
"1569448","22.0415","0.0009","14.2574","0.0006","22.4105","0.0009","90","","119.253","0.001","90","","6144.5","0.4","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73.5 H70.1 B2 N4.75 O2 Ru S2 -","- C73.502 H70.097 B2 N4.751 O2 Ru S2 -","- C294.008 H280.388 B8 N19.004 O8 Ru4 S8 -","4","1","","Marr, Zoe Y.; Thapa Magar, Rajani; Fournier, Bertrand; Benedict, Jason B.; Rack, Jeffrey J.","Photocrystallography of [Ru(bpy)2(dmso)2]2+ reveals an O-bonded metastable state","Chemical Science","2023","14","26","7279","7284","10.1039/D3SC01526B","","","0.71073","MoKα","","0.0566","0.0413","","","0.0975","0.1046","","","","","","1.051","","","","has coordinates,has disorder","284996","2023-07-05","22:13:05",""
"1569449","12.7641","0.0004","57.5684","0.0016","36.0789","0.0011","90","","94.785","0.001","90","","26418.7","1.4","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C115 H124 O24 S8 Tb4 -","- C115 H124 O24 S8 Tb4 -","- C920 H992 O192 S64 Tb32 -","8","1","","Wang, Hao; Zhu, Zhenhua; La Droitte, Léo; Liao, Wuping; Cador, Olivier; Le Guennic, Boris; Tang, Jinkui","Toroidal moment and dynamical control in luminescent 1D and 3D terbium calixarene compounds","Chemical Science","2023","14","26","7208","7214","10.1039/D3SC00541K","","","1.54178","CuKα","","0.0643","0.0462","","","0.1107","0.1254","","","","","","1.057","","","","has coordinates","284997","2023-07-05","22:14:20",""
"1569450","19.1485","0.0007","19.6598","0.0006","21.4502","0.0007","90.609","0.002","111.829","0.002","90.189","0.002","7495.4","0.4","179","","179","","","","","","","","","6","P -1","-P 1","2","","","","- C121 H133 N3 O24 S8 Tb4 -","- C121 H133 N3 O24 S8 Tb4 -","- C242 H266 N6 O48 S16 Tb8 -","2","1","","Wang, Hao; Zhu, Zhenhua; La Droitte, Léo; Liao, Wuping; Cador, Olivier; Le Guennic, Boris; Tang, Jinkui","Toroidal moment and dynamical control in luminescent 1D and 3D terbium calixarene compounds","Chemical Science","2023","14","26","7208","7214","10.1039/D3SC00541K","","","1.54178","CuKα","","0.0861","0.0577","","","0.1344","0.1552","","","","","","1.056","","","","has coordinates","284997","2023-07-05","22:14:21",""
"1569451","14.9954","0.0006","16.1533","0.0007","20.1627","0.0009","86.179","0.002","74.935","0.002","80.127","0.002","4645","0.3","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C80 H96 N6 O8 -","- C80 H96 N6 O8 -","- C160 H192 N12 O16 -","2","1","","Dhara, Ayan; Dmitrienko, Anton; Hussein, Rahaf N.; Sotomayor, Ariel; Wilson, Benjamin H.; Loeb, Stephen J.","A translationally active ligand based on a [2]rotaxane molecular shuttle with a 2,2'-bipyridyl core.","Chemical science","2023","14","26","7215","7220","10.1039/d3sc01346d","","","0.71073","MoKα","","0.1232","0.1078","","","0.2715","0.2815","","","","","","1.063","","","","has coordinates,has disorder","286057","2023-09-05","19:17:11",""
"1569452","19.9646","0.0012","21.9566","0.0014","22.5133","0.0015","69.998","0.002","78.914","0.002","81.231","0.002","9060.2","1","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C163 H201 N13 O18 Zn -","- C163 H201 N13 O18 Zn -","- C326 H402 N26 O36 Zn2 -","2","1","","Dhara, Ayan; Dmitrienko, Anton; Hussein, Rahaf N.; Sotomayor, Ariel; Wilson, Benjamin H.; Loeb, Stephen J.","A translationally active ligand based on a [2]rotaxane molecular shuttle with a 2,2'-bipyridyl core.","Chemical science","2023","14","26","7215","7220","10.1039/d3sc01346d","","","0.71073","MoKα","","0.1795","0.1115","","","0.3123","0.3687","","","","","","1.197","","","","has coordinates,has disorder","286057","2023-09-05","19:17:11",""
"1569453","8.702","0.0003","10.7451","0.0004","25.902","0.0009","90","","90","","90","","2421.94","0.15","199.99","0.1","199.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O4 S -","- C28 H24 N2 O4 S -","- C112 H96 N8 O16 S4 -","4","1","","Si, Xiao-Ju; Zhao, Xiaofang; Wang, Jianli; Wang, Xinhai; Zhang, Yuanshuo; Yang, Dandan; Song, Mao-Ping; Niu, Jun-Long","Cobalt-catalyzed enantioselective C-H/N-H annulation of aryl sulfonamides with allenes or alkynes: facile access to C-N axially chiral sultams.","Chemical science","2023","14","26","7291","7303","10.1039/d3sc01787g","","x-ray","1.54184","CuKα","","0.084","0.0589","","","0.1715","0.1748","","","","","","1.159","","","","has coordinates","286054","2023-09-05","19:13:41",""
"1569454","8.348","0.005","9.154","0.005","16.683","0.009","98.03","0.02","92.58","0.02","90.2","0.02","1261","1.2","298","2","298","","","","","","","","","5","P 1","P 1","1","","","","- C31 H25 N2 O2 S -","- C31 H24 N2 O2 S -","- C62 H48 N4 O4 S2 -","2","2","","Si, Xiao-Ju; Zhao, Xiaofang; Wang, Jianli; Wang, Xinhai; Zhang, Yuanshuo; Yang, Dandan; Song, Mao-Ping; Niu, Jun-Long","Cobalt-catalyzed enantioselective C-H/N-H annulation of aryl sulfonamides with allenes or alkynes: facile access to C-N axially chiral sultams.","Chemical science","2023","14","26","7291","7303","10.1039/d3sc01787g","","","0.71073","MoKα","","0.0771","0.0495","","","0.1156","0.1304","","","","","","1.043","","","","has coordinates","286054","2023-09-05","19:13:41",""
"1569455","17.8906","0.0004","21.6153","0.0005","23.3885","0.0005","110.163","0.002","103.825","0.002","105.043","0.002","7642.4","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C113 H114 Ag4 Au9 Cl7 P8 -","- C113 H114 Ag4 Au9 Cl7 P8 -","- C226 H228 Ag8 Au18 Cl14 P16 -","2","1","","Jiang, Lirong; Jing, Mengmeng; Yin, Bing; Du, Wenjun; Wang, Xiaojian; Liu, Ying; Chen, Shuang; Zhu, Manzhou","Bright near-infrared circularly polarized electrochemiluminescence from Au9Ag4 nanoclusters.","Chemical science","2023","14","26","7304","7309","10.1039/d3sc01329d","","","1.54186","CuKα","","0.0992","0.0882","","","0.2493","0.269","","","","","","1.037","","","","has coordinates,has disorder","286052","2023-09-05","19:13:19",""
"1569479","12.5846","0.0004","22.3829","0.0007","20.1826","0.0006","90","","90","","90","","5685","0.3","142","2","142","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C26 H33 N O6 Si -","- C26 H33 N O6 Si -","- C208 H264 N8 O48 Si8 -","8","1","","Sang, Xinpeng; Mo, Yuhao; Li, Shiya; Liu, Xiaohua; Cao, Weidi; Feng, Xiaoming","Bimetallic tandem catalysis-enabled enantioselective cycloisomerization/carbonyl-ene reaction for construction of 5-oxazoylmethyl α-silyl alcohol.","Chemical science","2023","14","31","8315","8320","10.1039/d3sc01048a","","","1.54178","CuKα","","0.0268","0.0252","","","0.063","0.0644","","","","","","1.037","","","","has coordinates","286066","2023-09-05","19:19:47",""
"1569480","21.8311","0.0011","8.2255","0.0004","29.1754","0.0014","90","","93.759","0.004","90","","5227.8","0.4","113.15","","113.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ethyl (E)-3-(3-((3-(2-cyanophenyl)-2,5-dimethyl-1H-indol-1-yl)sulfonyl)-5-methylphenyl)acrylate","","- C29.5 H28 N2 O4.5 S -","- C29.5 H28 N2 O4.5 S -","- C236 H224 N16 O36 S8 -","8","1","","Zhang, Pengfei; Jiang, Zhiwei; Fan, Zhoulong; Li, Guoshuai; Ma, Qingxue; Huang, Jun; Tang, Jinghong; Xu, Xiaohua; Yu, Jin-Quan; Jin, Zhong","Macrocyclization via remote meta-selective C-H olefination using a practical indolyl template.","Chemical science","2023","14","31","8279","8287","10.1039/d3sc01670f","","x-ray","0.71073","MoKα","","0.1549","0.0815","","","0.1636","0.2054","","","","","","1.036","","","","has coordinates,has disorder","286065","2023-09-05","19:19:34",""
"1569486","21.2891","0.0004","8.1032","0.0001","36.4586","0.0007","90","","90","","90","","6289.47","0.19","173","0.1","173","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H32 F4 O8 -","- C36 H32 F4 O8 -","- C288 H256 F32 O64 -","8","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.078","0.0731","","","0.1888","0.1945","","","","","","1.06","","","","has coordinates,has disorder","286068","2023-09-05","19:20:47",""
"1569487","10.6793","0.0003","11.6277","0.0002","12.141","0.0003","72.256","0.002","77.897","0.002","64.159","0.002","1287.12","0.06","169.98","0.11","169.98","0.11","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O8 -","- C32 H28 O8 -","- C64 H56 O16 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0524","0.0488","","","0.1345","0.1373","","","","","","1.054","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569488","11.6918","0.0001","8.0303","0.0001","23.5644","0.0002","90","","90.325","0.001","90","","2212.39","0.04","169.99","0.11","169.99","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F4 O4 -","- C28 H20 F4 O4 -","- C112 H80 F16 O16 -","4","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0397","0.0361","","","0.0956","0.0982","","","","","","1.055","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569489","17.2008","0.0002","8.132","0.0001","33.0797","0.0003","90","","91.243","0.001","90","","4626","0.09","169.99","0.11","169.99","0.11","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H16 F8 O4 -","- C28 H16 F8 O4 -","- C224 H128 F64 O32 -","8","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0396","0.0367","","","0.1005","0.1025","","","","","","1.049","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569490","10.0405","0.0001","11.2749","0.0002","12.924","0.0002","104.28","0.001","105.195","0.001","98.368","0.001","1333.29","0.04","172.99","0.1","172.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 F4 O8 -","- C32 H24 F4 O8 -","- C64 H48 F8 O16 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0396","0.0384","","","0.1025","0.1035","","","","","","1.053","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569491","10.4892","0.0002","7.6223","0.0001","34.5522","0.0006","90","","94.927","0.002","90","","2752.3","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 F4 O8 -","- C32 H24 F4 O8 -","- C128 H96 F16 O32 -","4","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0448","0.0381","","","0.0965","0.1005","","","","","","1.023","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569492","12.7227","0.0004","12.7227","0.0004","23.8456","0.0005","90","","90","","90","","3859.82","0.19","225","40","225","40","","","","","","","","6","P -4 c 2","P -4 -2c","116","","","","- C78 H60 F8 N8 O8 S4 -","- C78 H60 F8 N8 O8 S4 -","- C156 H120 F16 N16 O16 S8 -","2","0.25","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0649","0.041","","","0.102","0.1151","","","","","","1.023","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569493","8.8879","0.0002","13.4255","0.0005","14.8388","0.0004","101.412","0.003","103.513","0.002","101.034","0.003","1634.29","0.09","172.98","0.17","172.98","0.17","","","","","","","","6","P -1","-P 1","2","","","","- C72 H60 F8 N8 O12 S2 -","- C72 H60 F8 N8 O12 S2 -","- C72 H60 F8 N8 O12 S2 -","1","0.5","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1457","0.1171","","","0.2816","0.2904","","","","","","1.103","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569494","12.4912","0.0003","12.4912","0.0003","23.9051","0.0007","90","","90","","90","","3729.91","0.17","174","3","174","3","","","","","","","","7","P -4 c 2","P -4 -2c","116","","","","- C68 H57 Cl5 F8 N8 O10 S4 -","- C68 H57 Cl3 F8 N8 O10 S4 -","- C136 H114 Cl6 F16 N16 O20 S8 -","2","0.25","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1088","0.0922","","","0.2541","0.2765","","","","","","1.001","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569495","21.3087","0.0003","11.0893","0.0002","37.4232","0.0005","90","","90.386","0.001","90","","8842.8","0.2","105","4","105","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 Cl2 N8 O6 S2 -","- C44 H38 Cl2 N8 O6 S2 -","- C352 H304 Cl16 N64 O48 S16 -","8","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0874","0.0769","","","0.2023","0.2115","","","","","","1.04","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569496","13.7566","0.0003","14.5509","0.0003","18.1357","0.0004","83.2409","0.0018","87.432","0.002","63.772","0.002","3233.74","0.13","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C61 H48 Cl0.5 N8 O6 S14 -","- C61 H48 Cl0.5 N8 O6 S14 -","- C122 H96 Cl N16 O12 S28 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0835","0.0743","","","0.2201","0.2322","","","","","","1.086","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569497","11.22933","0.00019","23.1073","0.0006","13.31714","0.00019","90","","90.7038","0.0014","90","","3455.26","0.12","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H55.5 F8 N10.5 O11 S2 -","- C70 H55.5 F8 N10.5 O11 S2 -","- C140 H111 F16 N21 O22 S4 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1012","0.0962","","","0.2736","0.2803","","","","","","1.082","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569498","10.6803","0.0007","12.0458","0.0008","23.3062","0.0019","90","","90","","90","","2998.4","0.4","112","8","112","8","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 O8 -","- C36 H36 O8 -","- C144 H144 O32 -","4","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.032","0.0316","","","0.0829","0.0832","","","","","","1.09","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569499","8.927","0.0002","13.6209","0.0003","14.7225","0.0003","101.208","0.002","104.314","0.002","101.04","0.002","1646.58","0.07","173","0.1","173","0.1","","","","","","","","6","P 1","P 1","1","","","","- C70 H56 F8 N8 O11.5 S2 -","- C70 H56 F8 N8 O11.5 S2 -","- C70 H56 F8 N8 O11.5 S2 -","1","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0592","0.057","","","0.1691","0.1726","","","","","","0.909","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569500","9.5906","0.0002","15.6459","0.0003","16.7187","0.0002","76.438","0.001","89.655","0.002","73.552","0.002","2334.04","0.08","137","50","137","50","","","","","","","","6","P -1","-P 1","2","","","","- C48 H42 F4 N8 O8 S2 -","- C48 H42 F4 N8 O8 S2 -","- C96 H84 F8 N16 O16 S4 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0709","0.0628","","","0.1594","0.1658","","","","","","1.015","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569501","10.6362","0.0005","18.0095","0.0011","26.978","0.002","90","","94.741","0.006","90","","5150","0.6","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H36 Cl F4 N8 O6 S6 -","- C49 H36 Cl F4 N8 O6 S6 -","- C196 H144 Cl4 F16 N32 O24 S24 -","4","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1602","0.1335","","","0.278","0.2956","","","","","","1.019","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569502","10.46661","0.0001","23.8858","0.0003","24.0457","0.0002","86.0189","0.0009","82.6961","0.0008","88.0689","0.0009","5946.46","0.11","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C55 H39 Cl3 F4 N8 O6 S10 -","- C55 H39 Cl3 F4 N8 O6 S10 -","- C220 H156 Cl12 F16 N32 O24 S40 -","4","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.094","0.0869","","","0.2143","0.2175","","","","","","1.084","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569503","10.6988","0.0004","17.9646","0.0007","27.0532","0.0016","90","","94.936","0.005","90","","5180.3","0.4","172.99","0.1","172.99","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49.5 H37 Cl1.5 F4 N8 O6 S6 -","- C49.5 H37 Cl1.5 F4 N8 O6 S6 -","- C198 H148 Cl6 F16 N32 O24 S24 -","4","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","","1.54184","CuKα","","0.1504","0.1297","","","0.295","0.3081","","","","","","1.046","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569504","10.48012","0.00013","19.7332","0.0002","14.464","0.0002","90","","108.582","0.0015","90","","2835.31","0.06","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H44 F8 N8 O10 S2 -","- C64 H44 F8 N8 O10 S2 -","- C128 H88 F16 N16 O20 S4 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0453","0.0413","","","0.1091","0.1121","","","","","","1.03","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569505","21.6918","0.0002","21.6918","0.0002","24.6601","0.0002","90","","90","","120","","10048.9","0.15","172.99","0.1","172.99","0.1","","","","","","","","6","R 3 :H","R 3","146","","","","- C43.67 H35.67 Cl5 N8 O6 S2 -","- C43.6667 H35.6667 Cl5 N8 O6 S2 -","- C393 H321 Cl45 N72 O54 S18 -","9","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0559","0.0554","","","0.1649","0.1658","","","","","","1.041","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569506","10.4191","0.0002","18.3885","0.0003","26.4258","0.0006","73.686","0.002","88.364","0.002","89.845","0.001","4857.05","0.17","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 F4 N8 O7 S6 -","- C50 H38 F4 N8 O7 S6 -","- C200 H152 F16 N32 O28 S24 -","4","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1215","0.114","","","0.3014","0.308","","","","","","1.068","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569507","7.2901","0.0002","10.5132","0.0003","11.868","0.0004","71.203","0.001","79.002","0.001","83.411","0.001","843.87","0.04","143","","143","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C44 H40 N4 O2 -","2","1","","Paul, Shashwati; Adelfinsky, Daniel; Salome, Christophe; Fessard, Thomas; Brown, M. Kevin","2,5-disubstituted bicyclo[2.1.1]hexanes as rigidified cyclopentane variants.","Chemical science","2023","14","30","8070","8075","10.1039/d3sc02695g","","","0.71073","MoKα","","0.0645","0.0466","","","0.1149","0.1246","","","","","","1.024","","","","has coordinates,has disorder","286060","2023-09-05","19:18:23",""
"1569508","13.652","0.004","13.696","0.003","22.841","0.006","104.719","0.005","92.059","0.004","119.705","0.004","3520.6","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H22 F72 K3 Mn3 O22 -","- C36 H22 F72 K3 Mn3 O22 -","- C72 H44 F144 K6 Mn6 O44 -","2","1","","Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.","HAA by the first {Mn(iii)OH} complex with all O-donor ligands.","Chemical science","2023","14","30","8187","8195","10.1039/d3sc01971c","","","0.71073","MoKα","","0.0707","0.0551","","","0.1131","0.1183","","","","","","1.162","","","","has coordinates","286061","2023-09-05","19:18:42",""
"1569509","10.5904","0.0005","11.1918","0.0006","15.4733","0.0007","90","","104.621","0.002","90","","1774.59","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F24 K Mn O10 -","- C24 H24 F24 K Mn O10 -","- C48 H48 F48 K2 Mn2 O20 -","2","0.5","","Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.","HAA by the first {Mn(iii)OH} complex with all O-donor ligands.","Chemical science","2023","14","30","8187","8195","10.1039/d3sc01971c","","x-ray","0.71073","MoKα","","0.0543","0.0443","","","0.1107","0.1191","","","","","","1.025","","","","has coordinates","286061","2023-09-05","19:18:42",""
"1569510","21.074","0.003","8.3424","0.0008","20.453","0.002","90","","105.829","0.005","90","","3459.4","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","JLSI173","","","- C12 H15 F12 Mn0.5 N2 O2 -","- C12 H15 F12 Mn0.5 N2 O2 -","- C96 H120 F96 Mn4 N16 O16 -","8","1","","Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.","HAA by the first {Mn(iii)OH} complex with all O-donor ligands.","Chemical science","2023","14","30","8187","8195","10.1039/d3sc01971c","","","0.71073","MoKα","","0.046","0.0292","","","0.0639","0.0723","","","","","","1.01","","","","has coordinates","286061","2023-09-05","19:18:42",""
"1569511","12.3223","0.0009","12.4204","0.0009","21.1886","0.0015","90.325","0.002","91.037","0.002","108.842","0.002","3068.4","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 F48 K4 Mn2 O14 -","- C36 H26 F48 K4 Mn2 O14 -","- C72 H52 F96 K8 Mn4 O28 -","2","1","","Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.","HAA by the first {Mn(iii)OH} complex with all O-donor ligands.","Chemical science","2023","14","30","8187","8195","10.1039/d3sc01971c","","x-ray","0.71073","MoKα","","0.0728","0.0463","","","0.0961","0.105","","","","","","1.051","","","","has coordinates","286061","2023-09-05","19:18:42",""
"1569512","11.3681","0.0005","11.9761","0.0006","16.7124","0.0008","78.016","0.002","70.97","0.002","84.166","0.002","2102.67","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H37 F24 K2 Mn O8 -","- C27 H37.0012 F24 K2 Mn O8 -","- C54 H74.0024 F48 K4 Mn2 O16 -","2","1","","Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.","HAA by the first {Mn(iii)OH} complex with all O-donor ligands.","Chemical science","2023","14","30","8187","8195","10.1039/d3sc01971c","","","1.54178","CuKα","","0.0717","0.0677","","","0.1874","0.1904","","","","","","1.049","","","","has coordinates,has disorder","286061","2023-09-05","19:18:42",""
"1569513","10.6371","0.0003","19.9621","0.0005","14.4091","0.0003","90","","109.29","0.003","90","","2887.84","0.14","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H49 B N2 P2 Pd -","- C26 H49 B N2 P2 Pd -","- C104 H196 B4 N8 P8 Pd4 -","4","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO2 insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","","1.54184","CuKα","","0.0861","0.0787","","","0.2066","0.2222","","","","","","1.055","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569514","12.9206","0.0009","17.1954","0.0013","14.897","0.001","90","","103.79","0.007","90","","3214.3","0.4","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H51 B N2 P2 Pd -","- C31 H51 B N2 P2 Pd -","- C124 H204 B4 N8 P8 Pd4 -","4","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO2 insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","0.71073","MoKα","","0.0882","0.0466","","","0.0777","0.0871","","","","","","0.998","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569515","7.8548","0.0001","11.0879","0.0001","17.8239","0.0002","104.218","0.001","94.747","0.001","100.443","0.001","1466.62","0.03","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H51 B N2 P2 Pd -","- C27 H51 B N2 P2 Pd -","- C54 H102 B2 N4 P4 Pd2 -","2","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO2 insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","1.54184","CuKα","","0.0273","0.0249","","","0.0594","0.0605","","","","","","1.064","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569516","9.9648","0.0003","13.3134","0.0004","14.9073","0.0004","85.337","0.002","79.407","0.003","89.959","0.002","1937.34","0.1","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H122 B2 N4 P4 Pd2 -","- C78 H122 B2 N4 P4 Pd2 -","- C78 H122 B2 N4 P4 Pd2 -","1","0.5","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO2 insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","1.54184","CuKα","","0.0482","0.0428","","","0.1124","0.116","","","","","","1.048","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569517","10.1464","0.0008","11.2723","0.0008","15.0798","0.001","71.643","0.006","89.513","0.006","83.927","0.006","1627.2","0.2","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H102 B2 N4 P4 Pd2 -","- C60 H102 B2 N4 P4 Pd2 -","- C60 H102 B2 N4 P4 Pd2 -","1","0.5","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO2 insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","0.71073","MoKα","","0.0871","0.065","","","0.1535","0.1637","","","","","","0.994","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569518","24.5886","0.0007","11.3054","0.0003","29.5087","0.0007","90","","114.397","0.003","90","","7470.5","0.4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H114 B2 N4 P4 Pd2 -","- C74 H114 B2 N4 P4 Pd2 -","- C296 H456 B8 N16 P16 Pd8 -","4","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO2 insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","","1.54184","CuKα","","0.0834","0.0789","","","0.1878","0.1899","","","","","","1.176","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569519","14.9723","0.0007","11.4923","0.0006","23.5265","0.0014","90","","105.439","0.006","90","","3902","0.4","93.15","","93.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H65 B N2 O P2 Pd -","- C37 H65 B N2 O P2 Pd -","- C148 H260 B4 N8 O4 P8 Pd4 -","4","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO2 insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","0.71073","MoKα","","0.0627","0.0403","","","0.0696","0.0741","","","","","","1.02","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569520","11.8927","0.0007","19.9252","0.0009","13.4943","0.0008","90","","112.762","0.007","90","","2948.6","0.3","93.15","","93.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 B N2 O2 P2 Pd -","- C27 H49 B N2 O2 P2 Pd -","- C108 H196 B4 N8 O8 P8 Pd4 -","4","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO2 insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","0.71073","MoKα","","0.041","0.0295","","","0.0598","0.0627","","","","","","1.021","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569521","36.5512","0.0013","8.0925","0.0002","21.4368","0.0006","90","","103.208","0.003","90","","6173.1","0.3","93.15","","93.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H49 B N2 P2 Pd -","- C30 H49 B N2 P2 Pd -","- C240 H392 B8 N16 P16 Pd8 -","8","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO2 insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","1.54184","CuKα","","0.0399","0.0376","","","0.0834","0.0847","","","","","","1.096","","","","has coordinates,has disorder","286063","2023-09-05","19:19:12",""
"1569522","5.6355","0.0005","9.705","0.0009","14.0179","0.0013","87.811","0.008","79.902","0.008","87.432","0.008","753.68","0.12","100.01","0.11","100.01","0.11","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 N6 -","- C18 H16 N6 -","- C36 H32 N12 -","2","1","","Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.","Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL4]4+ cage.","Chemical science","2023","14","32","8615","8623","10.1039/d3sc01354e","","x-ray","0.71073","MoKα","","0.0975","0.0637","","","0.14","0.1621","","","","","","1.042","","","","has coordinates","286039","2023-09-05","19:08:58",""
"1569523","10.1145","0.0005","10.504","0.0006","17.3505","0.0007","74.354","0.004","86.08","0.004","61.495","0.006","1555.91","0.17","99.98","0.1","99.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C63 H60 B2 F8 N16 O2 Pd -","- C63 H60 B2 F8 N16 O2 Pd -","- C63 H60 B2 F8 N16 O2 Pd -","1","0.5","","Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.","Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL4]4+ cage.","Chemical science","2023","14","32","8615","8623","10.1039/d3sc01354e","","x-ray","1.54184","CuKα","","0.0982","0.0948","","","0.249","0.2592","","","","","","1.199","","","","has coordinates,has disorder","286039","2023-09-05","19:08:59",""
"1569524","7.9819","0.0001","10.3824","0.0001","14.2482","0.0003","90","","94.673","0.002","90","","1176.84","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 B2 F8 N8 Pd -","- C16 H24 B2 F8 N8 Pd -","- C32 H48 B4 F16 N16 Pd2 -","2","0.5","","Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.","Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL4]4+ cage.","Chemical science","2023","14","32","8615","8623","10.1039/d3sc01354e","","x-ray","1.54184","CuKα","","0.0337","0.0336","","","0.0826","0.0826","","","","","","1.0408","","","","has coordinates","286039","2023-09-05","19:08:59",""
"1569525","11.6471","0.0005","15.816","0.0007","25.1824","0.001","102.42","0.004","99.049","0.003","100.243","0.004","4364.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C75 H73 B4 F16 N27 O6 Pd Pt -","- C74 H70 B3 F12 N26 O4 Pd Pt -","- C148 H140 B6 F24 N52 O8 Pd2 Pt2 -","2","1","","Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.","Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL4]4+ cage.","Chemical science","2023","14","32","8615","8623","10.1039/d3sc01354e","","x-ray","1.54184","CuKα","","0.1027","0.0694","","","0.1616","0.1861","","","","","","1.0423","","","","has coordinates","286039","2023-09-05","19:08:59",""
"1569526","13.8621","0.0002","14.0385","0.0003","27.2264","0.0006","79.615","0.002","75.366","0.002","89.377","0.002","5039.14","0.18","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C83 H82 B4 F16 N29 O3 Pd Pt S -","- C79 H76 B2 F8 N27 O3 Pd Pt S -","- C158 H152 B4 F16 N54 O6 Pd2 Pt2 S2 -","2","1","","Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.","Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL4]4+ cage.","Chemical science","2023","14","32","8615","8623","10.1039/d3sc01354e","","x-ray","1.54184","CuKα","","0.0787","0.071","","","0.1775","0.1804","","","","","","1.029","","","","has coordinates,has disorder","286039","2023-09-05","19:08:59",""
"1569538","9.5313","0.0003","14.4824","0.0005","16.6299","0.0005","90","","90","","90","","2295.53","0.13","180","","180","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 N2 O -","- C30 H22 N2 O -","- C120 H88 N8 O4 -","4","1","","Zhu, Xiaohan; Wu, Hongli; Wang, Yishou; Huang, Genping; Wang, Fen; Li, Xingwei","Rhodium-catalyzed annulative approach to N-N axially chiral biaryls via C-H activation and dynamic kinetic transformation.","Chemical science","2023","14","32","8564","8569","10.1039/d3sc02800c","","","1.54178","CuKα","","0.0301","0.0288","","","0.0732","0.0747","","","","","","1.067","","","","has coordinates","286044","2023-09-05","19:10:10",""
"1569539","9.1016","0.0001","9.8723","0.0001","17.9089","0.0002","90","","90","","90","","1609.18","0.03","173","0.1","173","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0259","0.0256","","","0.0687","0.069","","","","","","1.061","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569540","10.5662","0.0007","6.4254","0.0004","14.2474","0.0009","90","","91.616","0.003","90","","966.9","0.11","249.97","","249.97","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C44 H42 N2 O10 -","2","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","","1.54178","CuKα","","0.0431","0.0283","","","0.0742","0.0768","","","","","","1.075","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569541","6.4486","0.0003","18.6265","0.0008","7.3386","0.0003","90","","100.102","0.004","90","","867.81","0.07","175","6","175","6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0338","0.0321","","","0.0809","0.0818","","","","","","1.082","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569542","7.0388","0.0001","31.5073","0.0003","7.1572","0.0001","90","","103.361","0.001","90","","1544.32","0.03","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C68 H68 N4 O20 -","4","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.036","0.0342","","","0.0809","0.082","","","","","","1.045","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569543","9.6532","0.0001","12.5544","0.0001","25.5448","0.0003","90","","90","","90","","3095.78","0.05","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 N O6 Si -","- C34 H39 N O6 Si -","- C136 H156 N4 O24 Si4 -","4","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0285","0.0282","","","0.0757","0.0759","","","","","","1.067","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569544","12.6318","0.0001","7.1496","0.0001","15.6842","0.0001","90","","101.237","0.001","90","","1389.32","0.02","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 N O8 S -","- C30 H31 N O8 S -","- C60 H62 N2 O16 S2 -","2","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0242","0.024","","","0.0628","0.0631","","","","","","1.025","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569545","8.9746","0.0003","9.7722","0.0003","12.9941","0.0004","89.169","0.002","76.315","0.002","69.111","0.003","1031.41","0.06","172.99","0.1","172.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O6 -","- C23 H25 N O6 -","- C46 H50 N2 O12 -","2","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0336","0.0317","","","0.0778","0.0792","","","","","","1.0394","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569549","7.68726","0.00003","16.93199","0.00008","13.38321","0.00007","90","","94.5657","0.0004","90","","1736.44","0.014","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Cl2 F2 O4 P2 -","- C30 H50 Cl2 F2 O4 P2 -","- C60 H100 Cl4 F4 O8 P4 -","2","0.5","","Bertrams, Maria-Sophie; Hermainski, Katharina; Mörsdorf, Jean-Marc; Ballmann, Joachim; Kerzig, Christoph","Triplet quenching pathway control with molecular dyads enables the identification of a highly oxidizing annihilator class.","Chemical science","2023","14","32","8583","8591","10.1039/d3sc01725g","","x-ray","1.54184","CuKα","","0.0277","0.0269","","","0.073","0.0736","","","","","","1.069","","","","has coordinates","286042","2023-09-05","19:09:46",""
"1569550","11.9371","0.0008","15.3069","0.0007","17.4558","0.0006","78.259","0.004","76.68","0.004","69.65","0.005","2883.3","0.3","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H74 Cl8 O3 P4 -","- C52 H74 Cl8 O3 P4 -","- C104 H148 Cl16 O6 P8 -","2","1","","Bertrams, Maria-Sophie; Hermainski, Katharina; Mörsdorf, Jean-Marc; Ballmann, Joachim; Kerzig, Christoph","Triplet quenching pathway control with molecular dyads enables the identification of a highly oxidizing annihilator class.","Chemical science","2023","14","32","8583","8591","10.1039/d3sc01725g","","x-ray","0.71073","MoKα","","0.1079","0.0571","","","0.1081","0.1304","","","","","","1.041","","","","has coordinates","286042","2023-09-05","19:09:46",""
"1569551","9.7239","0.0007","9.09","0.0005","11.1927","0.0008","90","","97.359","0.007","90","","981.18","0.11","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C22 H32.97 B Br0.03 -","- C22 H32.966 B Br0.034 -","- C44 H65.932 B2 Br0.068 -","2","0.5","","Bohlen, Josina L.; Endres, Lukas; Drescher, Regina; Radacki, Krzysztof; Dietz, Maximilian; Krummenacher, Ivo; Braunschweig, Holger","Boroles from alumoles: accessing boroles with alkyl-substituted backbones via transtrielation.","Chemical science","2023","14","34","9010","9015","10.1039/d3sc02668j","","x-ray","1.54184","CuKα","K-L~2,3~","0.1138","0.0809","","","0.2164","0.2398","","","","","","0.925","","","","has coordinates,has disorder","286077","2023-09-05","19:23:31",""
"1569552","16.9907","0.0002","10.5544","0.0001","18.3576","0.0002","90","","96.476","0.001","90","","3271","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H56 B N -","- C38 H56 B N -","- C152 H224 B4 N4 -","4","1","","Bohlen, Josina L.; Endres, Lukas; Drescher, Regina; Radacki, Krzysztof; Dietz, Maximilian; Krummenacher, Ivo; Braunschweig, Holger","Boroles from alumoles: accessing boroles with alkyl-substituted backbones via transtrielation.","Chemical science","2023","14","34","9010","9015","10.1039/d3sc02668j","","x-ray","1.54184","CuKα","K-L~2,3~","0.0507","0.0424","","","0.1063","0.111","","","","","","1.03","","","","has coordinates","286077","2023-09-05","19:23:31",""
"1569553","17.166","0.0002","10.5271","0.0001","18.3364","0.0002","90","","96.403","0.001","90","","3292.87","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H58 B N -","- C39 H58 B N -","- C156 H232 B4 N4 -","4","1","","Bohlen, Josina L.; Endres, Lukas; Drescher, Regina; Radacki, Krzysztof; Dietz, Maximilian; Krummenacher, Ivo; Braunschweig, Holger","Boroles from alumoles: accessing boroles with alkyl-substituted backbones via transtrielation.","Chemical science","2023","14","34","9010","9015","10.1039/d3sc02668j","","x-ray","1.54184","CuKα","K-L~2,3~","0.044","0.0389","","","0.0985","0.1016","","","","","","1.061","","","","has coordinates","286077","2023-09-05","19:23:31",""
"1569554","21.6196","0.0019","12.2443","0.001","19.8455","0.0016","90","","99.296","0.003","90","","5184.4","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris771b (Hemanta Deka)","","","- C39 H80 N6 Si6 Th -","- C39 H80 N6 Si6 Th -","- C156 H320 N24 Si24 Th4 -","4","1","","Deka, Hemanta; Ritacco, Ida; Fridman, Natalia; Caporaso, Lucia; Eisen, Moris S.","Catalytic regeneration of metal-hydrides from their corresponding metal-alkoxides via the hydroboration of carbonates to obtain methanol and diols.","Chemical science","2023","14","31","8369","8379","10.1039/d3sc01700a","","","0.71073","MoKα","","0.0578","0.0304","","","0.05","0.0563","","","","","","0.971","","","","has coordinates","286067","2023-09-05","19:20:00",""
"1569555","20.597","0.011","12.447","0.008","21","0.011","90","","98.366","0.015","90","","5326","5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris710b (Hemanta Deka)","","","- C40 H82 N6 Si6 Th -","- C40 H82 N6 Si6 Th -","- C160 H328 N24 Si24 Th4 -","4","1","","Deka, Hemanta; Ritacco, Ida; Fridman, Natalia; Caporaso, Lucia; Eisen, Moris S.","Catalytic regeneration of metal-hydrides from their corresponding metal-alkoxides via the hydroboration of carbonates to obtain methanol and diols.","Chemical science","2023","14","31","8369","8379","10.1039/d3sc01700a","","","0.71073","MoKα","","0.0872","0.0406","","","0.0789","0.0898","","","","","","0.869","","","","has coordinates","286067","2023-09-05","19:20:01",""
"1569556","20.8858","0.0018","12.2278","0.0011","24.084","0.002","90","","112.951","0.002","90","","5663.8","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris703b (Hemanta Deka)","","","- C44 H91 N6 Si6 Th -","- C44 H91 N6 Si6 Th -","- C176 H364 N24 Si24 Th4 -","4","1","","Deka, Hemanta; Ritacco, Ida; Fridman, Natalia; Caporaso, Lucia; Eisen, Moris S.","Catalytic regeneration of metal-hydrides from their corresponding metal-alkoxides via the hydroboration of carbonates to obtain methanol and diols.","Chemical science","2023","14","31","8369","8379","10.1039/d3sc01700a","","","0.71073","MoKα","","0.1136","0.0482","","","0.066","0.0805","","","","","","0.981","","","","has coordinates","286067","2023-09-05","19:20:01",""
"1569557","44.2057","0.0009","7.381","0.0001","5.6064","0.0001","90","","92.306","0.002","90","","1827.79","0.06","298.5","0.7","298.5","0.7","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H30 O S -","- C19 H30 O S -","- C76 H120 O4 S4 -","4","1","","Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab","A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.","Chemical science","2023","14","32","8624","8634","10.1039/d3sc02440g","","x-ray","1.54184","CuKα","","0.035","0.0347","","","0.0998","0.1001","","","","","","1.04","","","","has coordinates","286036","2023-09-05","19:07:50",""
"1569558","6.4602","0.0001","10.587","0.0002","11.9686","0.0003","69.336","0.002","76.155","0.002","85.538","0.001","743.65","0.03","293","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O S -","- C18 H22 O S -","- C36 H44 O2 S2 -","2","1","","Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab","A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.","Chemical science","2023","14","32","8624","8634","10.1039/d3sc02440g","","","1.54184","CuKα","","0.0354","0.0333","","","0.0894","0.0914","","","","","","1.077","","","","has coordinates","286036","2023-09-05","19:07:50",""
"1569559","11.1315","0.0004","16.475","0.0006","10.7131","0.0004","90","","90","","90","","1964.69","0.12","100","0.1","100","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H26 O3 -","- C24 H26 O3 -","- C96 H104 O12 -","4","1","","Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab","A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.","Chemical science","2023","14","32","8624","8634","10.1039/d3sc02440g","","x-ray","1.54184","CuKα","","0.0556","0.0482","","","0.1261","0.1418","","","","","","1.108","","","","has coordinates","286036","2023-09-05","19:07:50",""
"1569560","5.7084","0.0001","12.2516","0.0002","25.4722","0.0004","88.897","0.001","89.808","0.001","83.742","0.001","1770.51","0.05","100.1","0.5","100.1","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C44 H44 O6 -","- C44 H44 O6 -","- C88 H88 O12 -","2","1","","Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab","A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.","Chemical science","2023","14","32","8624","8634","10.1039/d3sc02440g","","x-ray","1.54184","CuKα","","0.0523","0.0481","","","0.1229","0.1264","","","","","","1.025","","","","has coordinates","286036","2023-09-05","19:07:50",""
"1569561","10.1319","0.0007","25.5792","0.0018","12.5674","0.0009","90","","90.459","0.002","90","","3256.9","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(2-hydroxy-5-methoxy-2,7-dimethyl-2,3-dihydro-1H-inden-1-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C18 H20 N2 O5 -","- C18 H20 N2 O5 -","- C144 H160 N16 O40 -","8","2","","Kuntze, Kim; Pooler, Daisy R. S.; Di Donato, Mariangela; Hilbers, Michiel F.; van der Meulen, Pieter; Buma, Wybren Jan; Priimagi, Arri; Feringa, Ben L.; Crespi, Stefano","A visible-light-driven molecular motor based on barbituric acid.","Chemical science","2023","14","32","8458","8465","10.1039/d3sc03090c","","","1.54178","CuKα","","0.0449","0.0348","","","0.0834","0.0853","","","","","","1.046","","","","has coordinates","286037","2023-09-05","19:07:58",""
"1569562","17.0483","0.0014","4.7023","0.0004","30.687","0.003","90","","103.37","0.002","90","","2393.4","0.4","105","","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H10 F9 I2 N -","- C25 H10 F9 I2 N -","- C100 H40 F36 I8 N4 -","4","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0598","0.0364","","","0.0734","0.0805","","","","","","1.06","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569563","7.982","0.0004","7.9889","0.0004","17.3963","0.0009","84.337","0.002","89.492","0.002","70.559","0.002","1040.62","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H12 F9 N -","- C25 H12 F9 N -","- C50 H24 F18 N2 -","2","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.06","0.039","","","0.0892","0.0991","","","","","","1.017","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569564","18.182","0.004","4.5894","0.001","29.337","0.006","90","","106.945","0.004","90","","2341.7","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H13 F6 I2 N -","- C25 H13 F6 I2 N -","- C100 H52 F24 I8 N4 -","4","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0587","0.0413","","","0.0775","0.0817","","","","","","1.179","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569565","8.4061","0.0003","20.5959","0.0007","12.3043","0.0004","90","","108.644","0.001","90","","2018.47","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H12 F3 I2 N -","- C23 H12 F3 I2 N -","- C92 H48 F12 I8 N4 -","4","2","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0312","0.0254","","","0.0559","0.0579","","","","","","1.086","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569566","7.3702","0.0007","18.1535","0.0018","34.027","0.003","90","","94.009","0.002","90","","4541.5","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F7 I2 N -","- C24 H10 F7 I2 N -","- C192 H80 F56 I16 N8 -","8","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0556","0.0404","","","0.0634","0.0667","","","","","","1.183","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569567","18.7496","0.0016","4.7821","0.0004","25.949","0.002","90","","94.215","0.002","90","","2320.4","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H9 F9 I2 -","- C25 H9 F9 I2 -","- C100 H36 F36 I8 -","4","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0806","0.0441","","","0.069","0.0776","","","","","","1.022","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569568","36.9115","0.0018","36.9115","0.0018","8.3724","0.0004","90","","90","","90","","11407.1","1","100","","100","","","","","","","","","6","I -4","I -4","82","","","","- C50 H67.69 Cl1.25 F3 I2 N2.25 -","- C50 H67.695 Cl1.25 F3 I2 N2.25 -","- C400 H541.56 Cl10 F24 I16 N18 -","8","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0408","0.0334","","","0.0697","0.0736","","","","","","1.052","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569569","37.842","0.003","50.545","0.004","8.9837","0.0006","90","","90","","90","","17183","2","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C25 H12 F9 N -","- C25 H12 F9 N -","- C800 H384 F288 N32 -","32","2","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.066","0.0564","","","0.1408","0.1475","","","","","","1.054","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569570","8.2189","0.0005","22.0601","0.0014","26.8587","0.0018","90","","93.235","0.002","90","","4862","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H63 Cl F6 I2 N2 -","- C48 H63 Cl F6 I2 N2 -","- C192 H252 Cl4 F24 I8 N8 -","4","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0405","0.0293","","","0.0665","0.0707","","","","","","1.08","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569571","12.2702","0.0005","13.0397","0.0005","14.4541","0.0006","107.965","0.002","108.36","0.001","93.925","0.002","2052.49","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H52 Cl F3 I2 N2 -","- C41 H52 Cl F3 I2 N2 -","- C82 H104 Cl2 F6 I4 N4 -","2","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0287","0.0232","","","0.0532","0.059","","","","","","1.152","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569572","8.0763","0.0005","15.6429","0.0011","17.8668","0.0012","73.593","0.002","87.048","0.002","88.27","0.002","2162.2","0.3","105","","105","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H46 Cl F9 I2 N2 -","- C41 H46 Cl F9 I2 N2 -","- C82 H92 Cl2 F18 I4 N4 -","2","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0654","0.0507","","","0.1202","0.1324","","","","","","1.146","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569573","9.9761","0.0018","20.274","0.004","21.922","0.004","89.741","0.003","88.847","0.003","83.127","0.003","4401.1","1.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C85 H110 B F20 N6 O Si2 Y -","- C73 H82 B F20 N6 O Si2 Y -","- C146 H164 B2 F40 N12 O2 Si4 Y2 -","2","1","","Vasanthakumar, Aathith; Price, Jeffrey S.; Emslie, David J. H.","Rare earth dialkyl cations and monoalkyl dications supported by a rigid neutral pincer ligand: synthesis and ethylene polymerization.","Chemical science","2023","14","32","8514","8523","10.1039/d3sc01830j","","","0.71073","MoKα","","0.1826","0.0682","","","0.1118","0.1358","","","","","","0.843","","","","has coordinates,has disorder","286041","2023-09-05","19:09:36",""
"1569574","9.8595","0.0012","20.303","0.003","21.959","0.003","89.917","0.002","89.202","0.002","83.113","0.002","4363.6","1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C85 H92 B F22 N6 O Sc Si2 -","- C73 H82 B F20 N6 O Sc Si2 -","- C146 H164 B2 F40 N12 O2 Sc2 Si4 -","2","1","","Vasanthakumar, Aathith; Price, Jeffrey S.; Emslie, David J. H.","Rare earth dialkyl cations and monoalkyl dications supported by a rigid neutral pincer ligand: synthesis and ethylene polymerization.","Chemical science","2023","14","32","8514","8523","10.1039/d3sc01830j","","","0.71073","MoKα","","0.1129","0.081","","","0.1777","0.1922","","","","","","1.074","","","","has coordinates,has disorder","286041","2023-09-05","19:09:37",""
"1569575","16.4813","0.0003","19.1877","0.0003","28.5841","0.0005","90","","95.453","0.002","90","","8998.5","0.3","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C101 H78 P6 Rh2 -","- C101 H78 P6 Rh2 -","- C404 H312 P24 Rh8 -","4","1","","Masada, Koichiro; Okabe, Kiyosumi; Kusumoto, Shuhei; Nozaki, Kyoko","A dinuclear Rh(-i)/Rh(i) complex bridged by biphilic phosphinine ligands.","Chemical science","2023","14","32","8524","8530","10.1039/d3sc02292g","","x-ray","0.71073","MoKα","","0.0563","0.0494","","","0.1338","0.1401","","","","","","1.114","","","","has coordinates","286043","2023-09-05","19:10:01",""
"1569576","13.1385","0.0002","16.5943","0.0002","20.896","0.0003","93.698","0.001","91.535","0.001","98.479","0.001","4493.61","0.11","93","2","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C102 H90 Na2 O2 P6 Rh2 -","- C102 H90 Na2 O2 P6 Rh2 -","- C204 H180 Na4 O4 P12 Rh4 -","2","1","","Masada, Koichiro; Okabe, Kiyosumi; Kusumoto, Shuhei; Nozaki, Kyoko","A dinuclear Rh(-i)/Rh(i) complex bridged by biphilic phosphinine ligands.","Chemical science","2023","14","32","8524","8530","10.1039/d3sc02292g","","","0.71073","MoKα","","0.0916","0.0739","","","0.1955","0.2075","","","","","","1.03","","","","has coordinates","286043","2023-09-05","19:10:03",""
"1569577","13.0765","0.0012","3.7722","0.0004","25.105","0.002","90","","102.809","0.005","90","","1207.5","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N2 O S -","- C6 H4 N2 O S -","- C48 H32 N16 O8 S8 -","8","2","","Ortiz-Rodríguez, Luis A; Fang, Ye-Guang; Niogret, Germain; Hadidi, Kaivin; Hoehn, Sean J.; Folkwein, Heather J.; Jockusch, Steffen; Tor, Yitzhak; Cui, Ganglong; Levi, Liraz; Crespo-Hernández, Carlos E","Thieno[3,4-d]pyrimidin-4(3H)-thione: an effective, oxygenation independent, heavy-atom-free photosensitizer for cancer cells.","Chemical science","2023","14","33","8831","8841","10.1039/d3sc02592f","","","0.71073","MoKα","","0.0734","0.0462","","","0.087","0.0948","","","","","","1.049","","","","has coordinates","286046","2023-09-05","19:10:32",""
"1569578","10.523","0.005","9.208","0.004","7.108","0.003","90","","100.375","0.015","90","","677.5","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N2 S2 -","- C6 H4 N2 S2 -","- C24 H16 N8 S8 -","4","1","","Ortiz-Rodríguez, Luis A; Fang, Ye-Guang; Niogret, Germain; Hadidi, Kaivin; Hoehn, Sean J.; Folkwein, Heather J.; Jockusch, Steffen; Tor, Yitzhak; Cui, Ganglong; Levi, Liraz; Crespo-Hernández, Carlos E","Thieno[3,4-d]pyrimidin-4(3H)-thione: an effective, oxygenation independent, heavy-atom-free photosensitizer for cancer cells.","Chemical science","2023","14","33","8831","8841","10.1039/d3sc02592f","","x-ray","0.71073","MoKα","K-L~3~","0.0296","0.0258","","","0.0681","0.0704","","","","","","1.065","","","","has coordinates","286046","2023-09-05","19:10:32",""
"1569580","12.3101","0.0002","5.4517","0.0001","14.3867","0.0002","90","","106.621","0.002","90","","925.16","0.03","119.9","0.3","119.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 F N2 O2 -","- C23 H19 F N2 O2 -","- C46 H38 F2 N4 O4 -","2","1","","Aryal, Sushant; Hone, Christopher A.; Polson, Matthew I. J.; Foley, Daniel J.","Enantioselective synthesis of hydantoins by chiral acid-catalysed condensation of glyoxals and ureas","Chemical Science","2023","14","29","7905","7912","10.1039/D3SC01656K","","x-ray","1.54184","CuKα","","0.0738","0.0731","","","0.182","0.1834","","","","","","1.034","","","","has coordinates","285356","2023-07-26","22:18:42",""
"1569581","12.5962","0.0006","5.2216","0.0002","15.4025","0.0006","90","","109.764","0.005","90","","953.38","0.08","120","0.2","120","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Br N2 O2 -","- C23 H19 Br N2 O2 -","- C46 H38 Br2 N4 O4 -","2","1","","Aryal, Sushant; Hone, Christopher A.; Polson, Matthew I. J.; Foley, Daniel J.","Enantioselective synthesis of hydantoins by chiral acid-catalysed condensation of glyoxals and ureas","Chemical Science","2023","14","29","7905","7912","10.1039/D3SC01656K","","x-ray","1.54184","CuKα","","0.0759","0.0651","","","0.1664","0.176","","","","","","1.013","","","","has coordinates","285356","2023-07-26","22:18:42",""
"1569582","12.0926","0.0002","5.4361","0.0002","13.6728","0.0003","90","","95.641","0.002","90","","894.45","0.04","120","0.2","120","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C46 H40 N4 O4 -","2","1","","Aryal, Sushant; Hone, Christopher A.; Polson, Matthew I. J.; Foley, Daniel J.","Enantioselective synthesis of hydantoins by chiral acid-catalysed condensation of glyoxals and ureas","Chemical Science","2023","14","29","7905","7912","10.1039/D3SC01656K","","x-ray","1.54184","CuKα","","0.0574","0.055","","","0.1485","0.1526","","","","","","1.063","","","","has coordinates","285356","2023-07-26","22:18:43",""
"1569583","24.1353","0.0004","24.3999","0.0004","26.5043","0.0004","90","","90.951","0.001","90","","15606.2","0.4","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C129 H93 Ag13 Au4 Cl18 P6 S9 -","- C129 H93 Ag13 Au4 Cl18 P6 S9 -","- C516 H372 Ag52 Au16 Cl72 P24 S36 -","4","1","","Xin, Junsheng; Xu, Jing; Zhu, Chen; Tian, Yupeng; Zhang, Qiong; Kang, Xi; Zhu, Manzhou","Restriction of intramolecular rotation for functionalizing metal nanoclusters.","Chemical science","2023","14","32","8474","8482","10.1039/d3sc01698f","","x-ray","1.54186","CuKα","","0.0632","0.0443","","","0.1028","0.1078","","","","","","0.924","","","","has coordinates","286038","2023-09-05","19:08:09",""
"1569585","9.72613","0.0001","19.54803","0.00019","20.00438","0.00018","75.8276","0.0008","76.6215","0.0009","89.241","0.0008","3583.73","0.06","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C180.23 H165.95 Cl4.45 -","- C180.229 H165.958 Cl4.458 -","- C180.229 H165.958 Cl4.458 -","1","1","","Obermann, Sebastian; Zheng, Wenhao; Melidonie, Jason; Böckmann, Steffen; Osella, Silvio; Arisnabarreta, Nicolás; Guerrero-León, L Andrés; Hennersdorf, Felix; Beljonne, David; Weigand, Jan J.; Bonn, Mischa; De Feyter, Steven; Hansen, Michael Ryan; Wang, Hai I.; Ma, Ji; Feng, Xinliang","Curved graphene nanoribbons derived from tetrahydropyrene-based polyphenylenes via one-pot K-region oxidation and Scholl cyclization.","Chemical science","2023","14","32","8607","8614","10.1039/d3sc02824k","","x-ray","1.54184","CuKα","","0.0548","0.0459","","","0.1216","0.1317","","","","","","1.034","","","","has coordinates,has disorder","286040","2023-09-05","19:09:21",""
"1569586","23.6811","0.0006","28.4303","0.0009","21.9446","0.0004","90","","101.217","0.002","90","","14492.2","0.7","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C183 H134 S10 -","- C179.301 H134 S2.602 -","- C717.204 H536 S10.408 -","4","1","","Obermann, Sebastian; Zheng, Wenhao; Melidonie, Jason; Böckmann, Steffen; Osella, Silvio; Arisnabarreta, Nicolás; Guerrero-León, L Andrés; Hennersdorf, Felix; Beljonne, David; Weigand, Jan J.; Bonn, Mischa; De Feyter, Steven; Hansen, Michael Ryan; Wang, Hai I.; Ma, Ji; Feng, Xinliang","Curved graphene nanoribbons derived from tetrahydropyrene-based polyphenylenes via one-pot K-region oxidation and Scholl cyclization.","Chemical science","2023","14","32","8607","8614","10.1039/d3sc02824k","","x-ray","1.54184","CuKα","","0.1636","0.0902","","","0.2334","0.2928","","","","","","1.023","","","","has coordinates,has disorder","286040","2023-09-05","19:09:22",""
"1569587","9.224","0.004","12.38","0.005","19.363","0.007","85.759","0.015","77.184","0.015","89.43","0.015","2150.1","1.5","120.03","","120","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 Cl3 Co2 N12 O28.5 -","- C88 H59 Cl3 Co2 N12 O28.5 -","- C88 H59 Cl3 Co2 N12 O28.5 -","1","0.5","","Rabelo, Renato; Toma, Luminita; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Inclán, Mario; García-España, Enrique; Pasán, Jorge; Ruiz-García, Rafael; Cano, Joan","pH-Switching of the luminescent, redox, and magnetic properties in a spin crossover cobalt(ii) molecular nanomagnet.","Chemical science","2023","14","33","8850","8859","10.1039/d3sc02777e","","","0.71073","MoKα","","0.079","0.0704","","","0.2028","0.212","","","","","","1.056","","","","has coordinates,has disorder","286045","2023-09-05","19:10:25",""
"1569588","8.7247","0.0005","13.4869","0.0007","16.4323","0.0008","93.298","0.002","97.277","0.002","91.254","0.002","1913.99","0.18","120.06","","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Co N6 O9 -","- C44 H28 Co N6 O9 -","- C88 H56 Co2 N12 O18 -","2","1","","Rabelo, Renato; Toma, Luminita; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Inclán, Mario; García-España, Enrique; Pasán, Jorge; Ruiz-García, Rafael; Cano, Joan","pH-Switching of the luminescent, redox, and magnetic properties in a spin crossover cobalt(ii) molecular nanomagnet.","Chemical science","2023","14","33","8850","8859","10.1039/d3sc02777e","","","0.71073","MoKα","","0.2509","0.0987","","","0.1599","0.2183","","","","","","1.013","","","","has coordinates,has disorder","286045","2023-09-05","19:10:25",""
"1569589","6.3426","0.0001","12.1336","0.0002","20.3228","0.0002","90","","90","","90","","1564.01","0.04","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N3 O -","- C19 H20 N3 O -","- C76 H80 N12 O4 -","4","1","","Xie, Chaochao; Xiao, Guiying; Guo, Qianling; Wu, Xiaoxue; Zi, Guofu; Ding, Wanjian; Hou, Guohua","Highly enantioselective Rh-catalyzed asymmetric reductive dearomatization of multi-nitrogen polycyclic pyrazolo[1,5-a]pyrimidines.","Chemical science","2023","14","34","9048","9054","10.1039/d3sc02086j","","x-ray","1.54184","CuKα","","0.0351","0.0343","","","0.0889","0.0894","","","","","","1.076","","","","has coordinates","286075","2023-09-05","19:23:15",""
"1569593","17.67","0.0018","17.67","0.0018","29.511","0.006","90","","90","","120","","7980","2","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H72 Ge4 Si10 -","- C24 H72 Ge4 Si10 -","- C144 H432 Ge24 Si60 -","6","0.333333","","Kühn, Steffen; Köstler, Benedikt; True, Celine; Albers, Lena; Wagner, Matthias; Müller, Thomas; Marschner, Christoph","Selective synthesis of germasila-adamantanes through germanium-silicon shift processes.","Chemical science","2023","14","33","8956","8961","10.1039/d3sc03301e","","","0.71073","MoKα","","0.0544","0.0533","","","0.1098","0.1105","","","","","","0.9974","","","","has coordinates","286049","2023-09-05","19:12:10",""
"1569597","10.3474","0.0008","14.353","0.001","8.148","0.0006","90","","99.271","0.004","90","","1194.3","0.15","260","","260","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O3 S2 -","- C11 H9 N O3 S2 -","- C44 H36 N4 O12 S8 -","4","1","","Wang, Shuo; Yang, Liuqing; Liang, Fangcan; Zhong, Yu; Liu, Xueru; Wang, Qingling; Zhu, Dianhu","Synthetic exploration of electrophilic xanthylation via powerful N-xanthylphthalimides","Chemical Science","2023","14","34","9197","9206","10.1039/D3SC03194B","","","1.34139","GaKα","","0.0685","0.0515","","","0.1218","0.1335","","","","","","1.139","","","","has coordinates","286071","2023-09-05","19:21:54",""
"1569598","10.7498","0.0007","9.0463","0.0008","16.0214","0.0013","90","","90","","90","","1558","0.2","298.45","0.1","298.45","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H16 Cd N4 S3 -","- C9 H16 Cd N4 S3 -","- C36 H64 Cd4 N16 S12 -","4","0.5","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","x-ray","0.71073","MoKα","","0.1031","0.0854","","","0.2717","0.2832","","","","","","1.072","","","","has coordinates,has disorder","286072","2023-09-05","19:22:12",""
"1569599","9.8887","0.0005","16.6064","0.0006","10.7989","0.0004","90","","90","","90","","1773.35","0.13","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C22 Cd2 N8 S6 -","- C22 Cd2 N8 S6 -","- C44 Cd4 N16 S12 -","2","0.25","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","","0.71073","MoKα","","0.0332","0.0314","","","0.0866","0.0882","","","","","","1.094","","","","has coordinates","286072","2023-09-05","19:22:12",""
"1569600","9.448","0.002","9.448","0.002","10.894","0.002","90","0.03","90","0.03","120","0.03","842.2","0.4","343","2","343","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C9 Cd N4 S3 -","- C8.9994 Cd N4 S3 -","- C17.9988 Cd2 N8 S6 -","2","0.0833333","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","","0.71073","MoKα","","0.1599","0.107","","","0.2122","0.2325","","","","","","1.023","","","","has coordinates","286072","2023-09-05","19:22:12",""
"1569601","9.989","0.002","9.989","0.002","10.798","0.002","90","","90","","120","","933.1","0.3","393.01","0.1","393.01","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C11 Cd N4 S3 -","- C11.0002 Cd N4 S3 -","- C22.0004 Cd2 N8 S6 -","2","0.0833333","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","x-ray","0.71073","MoKα","","0.1787","0.1401","","","0.2672","0.283","","","","","","1.193","","","","has coordinates,has disorder","286072","2023-09-05","19:22:12",""
"1569602","8.984","0.002","10.779","0.002","17.325","0.005","90","","101.771","0.007","90","","1642.4","0.7","286","","286","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Cd N4 S3 -","- C10 H18 Cd N4 S3 -","- C40 H72 Cd4 N16 S12 -","4","1","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","","0.71073","MoKα","","0.1045","0.0716","","","0.2233","0.2562","","","","","","1.028","","","","has coordinates","286072","2023-09-05","19:22:12",""
"1569603","9.3109","0.0007","10.7164","0.0006","14.9364","0.0011","90","","90.634","0.007","90","","1490.25","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cd N4 S3 -","- C8 H14 Cd N4 S3 -","- C32 H56 Cd4 N16 S12 -","4","1","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","x-ray","0.71073","MoKα","","0.133","0.0784","","","0.2333","0.2818","","","","","","1.065","","","","has coordinates","286072","2023-09-05","19:22:12",""
"1569604","9.703","0.002","9.703","0.002","10.837","0.002","90","0.03","90","0.03","120","0.03","883.6","0.4","353","","353","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C10 Cd N4 S3 -","- C10 Cd N4 S3 -","- C20 Cd2 N8 S6 -","2","0.0833333","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","","0.71073","MoKα","","0.1978","0.1329","","","0.2879","0.3075","","","","","","1.086","","","","has coordinates","286072","2023-09-05","19:22:12",""
"1569605","10.4075","0.0013","6.8598","0.0008","12.7321","0.0015","90","","101.95","0.006","90","","889.29","0.19","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl N O -","- C10 H10 Cl N O -","- C40 H40 Cl4 N4 O4 -","4","1","","Peng, Marie; Ari, Denis; Roisnel, Thierry; Doucet, Henri; Soulé, Jean-François","Rhodium(i)-catalyzed cascade C(sp2)-H bond alkylation - amidation of anilines: phosphorus as traceless directing group.","Chemical science","2023","14","34","9055","9062","10.1039/d3sc02992a","","x-ray","0.71073","MoKα","","0.0582","0.0374","","","0.0838","0.093","","","","","","1.121","","","","has coordinates","286076","2023-09-05","19:23:21",""
"1569608","13.575","0.005","18.655","0.007","19.146","0.008","117.778","0.005","93.671","0.006","98.197","0.006","4199","3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H118 Al2 N6 Y2 -","- C86 H118 Al2 N6 Y2 -","- C172 H236 Al4 N12 Y4 -","2","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","0.71073","MoKα","","0.1301","0.0537","","","0.1115","0.1341","","","","","","0.859","","","","has coordinates","286069","2023-09-05","19:21:39",""
"1569609","35.057","0.006","11.675","0.002","20.542","0.004","90","","99.661","0.002","90","","8288","3","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H57 Al N3 O Y -","- C42 H57 Al N3 O Y -","- C336 H456 Al8 N24 O8 Y8 -","8","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","0.71073","MoKα","","0.1002","0.0561","","","0.1468","0.1702","","","","","","0.988","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569610","44.077","0.004","13.4246","0.0013","29.287","0.003","90","","93.806","0.002","90","","17291","3","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C87 H118 Al2 N6 O Y2 -","- C87 H118 Al2 N6 O Y2 -","- C696 H944 Al16 N48 O8 Y16 -","8","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","0.71073","MoKα","","0.124","0.0645","","","0.1657","0.1903","","","","","","0.93","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569611","18.21","0.003","22.124","0.003","26.122","0.004","90","","106.485","0.002","90","","10091","3","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H120 Al2 N6 S Y2 -","- C91 H120 Al2 N6 S Y2 -","- C364 H480 Al8 N24 S4 Y8 -","4","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","0.71073","MoKα","","0.1124","0.0634","","","0.1601","0.1792","","","","","","0.918","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569612","11.0717","0.0003","12.1069","0.0003","36.4308","0.0009","90","","90","","90","","4883.3","0.2","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H72 Al2 N3 Y -","- C47 H72 Al2 N3 Y -","- C188 H288 Al8 N12 Y4 -","4","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","1.34138","GaKα","","0.0529","0.0465","","","0.1273","0.1318","","","","","","1.055","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569613","69.627","0.011","13.874","0.002","21.791","0.003","90","","98.943","0.003","90","","20794","5","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H119 Al2 N7 S Y2 -","- C92 H119 Al2 N7 S Y2 -","- C736 H952 Al16 N56 S8 Y16 -","8","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","0.71073","MoKα","","0.1247","0.0855","","","0.2399","0.2649","","","","","","1.011","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569614","10.482","0.0006","36.766","0.002","11.9467","0.0007","90","","112.166","0.002","90","","4263.8","0.4","173","2","172.97","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C88 H123 Al3 N6 O0 S Y2 -","- C88 H123 Al3 N6 S Y2 -","- C176 H246 Al6 N12 S2 Y4 -","2","0.5","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","1.34139","GaKα","","0.0621","0.0528","","","0.1444","0.1515","","","","","","1.066","","","","has coordinates,has disorder","286069","2023-09-05","19:21:40",""
"1569615","12.1633","0.0005","18.7824","0.0006","22.3511","0.0008","105.924","0.002","103.097","0.002","102.186","0.002","4574.5","0.3","173","2","173.01","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H124 Al N8 Y2 -","- C104 H124 Al N8 Y2 -","- C208 H248 Al2 N16 Y4 -","2","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","1.34138","GaKα","","0.0987","0.0565","","","0.1303","0.1529","","","","","","0.996","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569616","14.4625","0.0001","15.6058","0.0001","17.0684","0.0001","90","","112.524","0.001","90","","3558.46","0.05","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 N O2 -","- C19 H26 N O2 -","- C152 H208 N8 O16 -","8","1","","Lu, Yi; Sugita, Hajime; Mikami, Koichiro; Aoki, Daisuke; Otsuka, Hideyuki","A rational design strategy of radical-type mechanophores with thermal tolerance.","Chemical science","2023","14","33","8792","8797","10.1039/d3sc02991c","","x-ray","1.54184","CuKα","","0.0386","0.0374","","","0.0948","0.0958","","","","","","1.035","","","","has coordinates","286047","2023-09-05","19:10:43",""
"1569648","25.93","0.06","13.52","0.03","30.86","0.07","90","","106.94","0.06","90","","10349","4","173","2","173.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H112 Bi4 N2 O10 -","- C90 H112 Bi4 N2 O10 -","- C360 H448 Bi16 N8 O40 -","4","1","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO2 electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","x-ray","0.71073","MoKα","K-L~3~","0.0749","0.0478","","","0.1112","0.1235","","","","","","1.014","","","","has coordinates","286048","2023-09-05","19:11:51",""
"1569649","16.57","0.004","17.36","0.004","19.896","0.005","67.924","0.011","78.114","0.012","83.852","0.011","5187","2","173","2","173.02","","","","","","","","","5","P -1","-P 1","2","","","","- C93 H121 Bi4 N2 O13 -","- C93 H121 Bi4 N2 O13 -","- C186 H242 Bi8 N4 O26 -","2","1","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO2 electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","x-ray","1.54178","CuKα","K-L~3~","0.069","0.0581","","","0.1356","0.1447","","","","","","1.076","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1569650","22.561","0.0004","22.561","0.0004","80.946","0.004","90","","90","","90","","41201","2","173","2","173.02","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C176 H208 Al Bi8 O22 -","- C176 H208 Al Bi8 O22 -","- C1408 H1664 Al8 Bi64 O176 -","8","0.5","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO2 electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","x-ray","0.71073","MoKα","K-L~3~","0.101","0.0544","","","0.1166","0.1343","","","","","","1.022","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1569651","35.3979","0.0008","35.3979","0.0008","67.034","0.003","90","","90","","90","","83994","5","290","2","290.56","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C352 H416 Bi24 O59 -","- C352 H416 Bi24 O59 -","- C2816 H3328 Bi192 O472 -","8","0.25","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO2 electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","","1.54178","CuKα","","0.0895","0.0566","","","0.1608","0.1886","","","","","","1.043","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1569652","22.208","0.002","37.888","0.004","44.949","0.004","90","","100.421","0.004","90","","37197","6","290.56","","290.56","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C264 H312 Bi20 N O47 -","- C264 H312 Bi20 N O47 -","- C1056 H1248 Bi80 N4 O188 -","4","1","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO2 electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","","1.54178","CuKα","","0.074","0.0638","","","0.1712","0.1794","","","","","","1.021","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1569653","22.5724","0.0015","23.0297","0.0014","36.361","0.002","92.631","0.004","103.905","0.004","115.578","0.003","16306.2","1.8","173","2","173.02","","","","","","","","","6","P -1","-P 1","2","","","","- C538 H654 Bi40 Mo2 N6 O98 -","- C538 H654 Bi40 Mo2 N6 O98 -","- C538 H654 Bi40 Mo2 N6 O98 -","1","0.5","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO2 electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","","1.54178","CuKα","","0.1633","0.0895","","","0.2026","0.2364","","","","","","1.025","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1569654","8.2271","0.0005","10.3968","0.0007","21.4304","0.0011","90","","96.909","0.006","90","","1819.75","0.19","113.15","","113.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H21 B Cl F2 N -","- C19 H21 B Cl F2 N -","- C76 H84 B4 Cl4 F8 N4 -","4","2","","Zou, Hui-Na; Huang, Meng-Lin; Huang, Ming-Yao; Su, Yu-Xuan; Zhang, Jing-Wei; Zhang, Xin-Yu; Zhu, Shou-Fei","Chiral gem-difluoroalkyl reagents: gem-difluoroalkyl propargylic borons and gem-difluoroalkyl α-allenols.","Chemical science","2023","14","34","9186","9190","10.1039/d3sc03266c","","x-ray","0.71073","MoKα","","0.1428","0.0677","","","0.1228","0.1648","","","","","","1.024","","","","has coordinates","286070","2023-09-05","19:21:48",""
"1569660","8.3288","0.0002","22.8188","0.0008","10.9506","0.0003","90","","90.53","0.002","90","","2081.11","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N2 O2 S -","- C20 H27 Br N2 O2 S -","- C80 H108 Br4 N8 O8 S4 -","4","2","","Zhang, Dongjie; Fan, Junjie; Shi, Yaqi; Huang, Yankai; Fu, Chunling; Wu, Xiaoyan; Ma, Shengming","Copper-catalyzed propargylic C-H functionalization for allene syntheses.","Chemical science","2023","14","34","9191","9196","10.1039/d3sc01501g","","","0.71073","MoKα","","0.0912","0.0488","","","0.0948","0.112","","","","","","1.011","","","","has coordinates","286073","2023-09-05","19:22:21",""
"1569664","5.80631","0.00011","7.77611","0.00012","31.5189","0.0006","90","","90","","90","","1423.09","0.04","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Borrel, Julien; Waser, Jerome","Azido-alkynylation of alkenes through radical-polar crossover.","Chemical science","2023","14","35","9452","9460","10.1039/d3sc03309k","","x-ray","1.54184","CuKα","","0.0318","0.0297","","","0.077","0.0782","","","","","","1.034","","","","has coordinates","286720","2023-10-05","23:53:25",""
"1569665","43.729","0.002","9.4992","0.0004","7.5184","0.0003","90","","90","","90","","3123.1","0.2","140","0.1","140","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","N-(4-(1-Azido-4-phenylbut-3-yn-2-yl)phenyl)acetamide","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C144 H128 N32 O8 -","8","1","","Borrel, Julien; Waser, Jerome","Azido-alkynylation of alkenes through radical-polar crossover.","Chemical science","2023","14","35","9452","9460","10.1039/d3sc03309k","","x-ray","1.54184","CuKα","","0.0855","0.0552","","","0.1309","0.146","","","","","","1.041","","","","has coordinates,has disorder","286720","2023-10-05","23:53:25",""
"1569666","7.7964","0.0006","11.2004","0.0008","20.4101","0.0014","85.406","0.002","89.714","0.002","82.273","0.002","1760.4","0.2","110","","110","","","","","","","","","9","P -1","-P 1","2","","FeNiFe","","- C22 H42 B2 F8 Fe2 N8 Ni O2 S4 -","- C22 H42 B2 F8 Fe2 N8 Ni O2 S4 -","- C44 H84 B4 F16 Fe4 N16 Ni2 O4 S8 -","2","1","","Quiroz, Manuel; Lockart, Molly M.; Xue, Shan; Jones, Dakota; Guo, Yisong; Pierce, Brad S.; Dunbar, Kim R.; Hall, Michael B.; Darensbourg, Marcetta Y.","Magnetic coupling between Fe(NO) spin probe ligands through diamagnetic NiII, PdII and PtII tetrathiolate bridges.","Chemical science","2023","14","34","9167","9174","10.1039/d3sc01546g","","","0.71073","MoKα","","0.0906","0.0675","","","0.1588","0.1709","","","","","","1.139","","","","has coordinates","286078","2023-09-05","19:23:42",""
"1569667","7.9001","0.001","11.192","0.0013","20.377","0.002","85.43","0.003","89.241","0.003","82.767","0.002","1781.7","0.4","120","","120","","","","","","","","","9","P -1","-P 1","2","","FePtFe","","- C22 H42 B2 F8 Fe2 N8 O2 Pt S4 -","- C22 H42 B2 F8 Fe2 N8 O2 Pt S4 -","- C44 H84 B4 F16 Fe4 N16 O4 Pt2 S8 -","2","1","","Quiroz, Manuel; Lockart, Molly M.; Xue, Shan; Jones, Dakota; Guo, Yisong; Pierce, Brad S.; Dunbar, Kim R.; Hall, Michael B.; Darensbourg, Marcetta Y.","Magnetic coupling between Fe(NO) spin probe ligands through diamagnetic NiII, PdII and PtII tetrathiolate bridges.","Chemical science","2023","14","34","9167","9174","10.1039/d3sc01546g","","","0.71073","MoKα","","0.0439","0.0355","","","0.0781","0.0806","","","","","","1.024","","","","has coordinates","286078","2023-09-05","19:23:42",""
"1569668","7.8814","0.0004","11.2","0.0005","20.5038","0.0009","85.329","0.001","89.194","0.001","82.402","0.001","1788.05","0.14","110","","110","","","","","","","","","9","P -1","-P 1","2","","FePdFe","","- C22 H42 B2 F8 Fe2 N8 O2 Pd S4 -","- C22 H42 B2 F8 Fe2 N8 O2 Pd S4 -","- C44 H84 B4 F16 Fe4 N16 O4 Pd2 S8 -","2","1","","Quiroz, Manuel; Lockart, Molly M.; Xue, Shan; Jones, Dakota; Guo, Yisong; Pierce, Brad S.; Dunbar, Kim R.; Hall, Michael B.; Darensbourg, Marcetta Y.","Magnetic coupling between Fe(NO) spin probe ligands through diamagnetic NiII, PdII and PtII tetrathiolate bridges.","Chemical science","2023","14","34","9167","9174","10.1039/d3sc01546g","","","0.71073","MoKα","","0.0529","0.0422","","","0.1079","0.1219","","","","","","1.172","","","","has coordinates","286078","2023-09-05","19:23:42",""
"1569672","30.937","0.0002","30.937","0.0002","31.2314","0.0003","90","","90","","90","","29891.5","0.4","200","","200","","","","","","","","","5","I 4/m","-I 4","87","","","","- C224 H96 N8 O144 Ru24 -","- C224 H72 N8 O144 Ru24 -","- C448 H144 N16 O288 Ru48 -","2","0.125","","Troyano, Javier; Tayier, Fuerkaiti; Phattharaphuti, Phitchayapha; Aoyama, Takuma; Urayama, Kenji; Furukawa, Shuhei","Porous supramolecular gels produced by reversible self-gelation of ruthenium-based metal-organic polyhedra.","Chemical science","2023","14","35","9543","9552","10.1039/d3sc02888g","","x-ray","0.71073","MoKα","","0.0624","0.0505","","","0.1402","0.1533","","","","","","1.009","","","","has coordinates","286718","2023-10-05","23:53:06",""
"1569673","12.337","0.003","32.664","0.007","12.964","0.003","90","","93.65","0.03","90","","5214","2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42.55 H39.8 Br0.35 Mn1.85 N6 O8.05 -","- C42.55 H39.8 Br0.35 Mn1.85 N6 O8.05 -","- C170.2 H159.2 Br1.4 Mn7.4 N24 O32.2 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.137","0.1105","","","0.3109","0.3311","","","","","","1.039","","","","has coordinates,has disorder","286717","2023-10-05","23:52:54",""
"1569674","12.338","0.003","32.702","0.007","13.01","0.003","90","","93.82","0.03","90","","5238","2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C44.375 H46.6 Br0.35 Mn1.85 N6 O7.775 -","- C177.5 H186.4 Br1.4 Mn7.4 N24 O31.1 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1433","0.108","","","0.3106","0.338","","","","","","1.24","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569675","12.344","0.003","32.785","0.007","12.996","0.003","90","","93.93","0.03","90","","5247","2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43.5 H43.8 Br0.35 Mn1.85 N6 O7.95 -","- C43.55 H43.8 Br0.35 Mn1.85 N6 O8 -","- C174.2 H175.2 Br1.4 Mn7.4 N24 O32 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1506","0.1136","","","0.3302","0.3554","","","","","","1.289","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569676","12.338","0.003","32.702","0.007","13.01","0.003","90","","93.82","0.03","90","","5238","2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C177.2 H186.4 Br1.4 Mn7.4 N24 O30.8 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1519","0.1137","","","0.3233","0.3543","","","","","","1.293","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569677","12.338","0.003","32.702","0.007","13.01","0.003","90","","93.82","0.03","90","","5238","2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44.3 H43.6 Br0.35 Mn1.85 N6 O7.7 -","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C177.2 H186.4 Br1.4 Mn7.4 N24 O30.8 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1378","0.1121","","","0.3294","0.3533","","","","","","1.404","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569678","12.4279","0.0011","33.146","0.003","12.9816","0.0013","90","","95.071","0.008","90","","5326.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42.75 H40.5 Br0.5 Mn2 N8.5 O6.25 -","- C43 H40.5 Br0.5 Mn2 N8.5 O6.5 -","- C172 H162 Br2 Mn8 N34 O26 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.6889","Synchrotron","","0.3346","0.1303","","","0.3507","0.3995","","","","","","0.907","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569679","12.4134","0.0013","33.362","0.004","12.9953","0.0013","90","","95.565","0.009","90","","5356.5","1","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42 H35.75 Br0.5 Mn2 N7.5 O7.5 -","- C42 H37.25 Br0.375 Mn2 N7.5 O7.5 -","- C168 H149 Br1.5 Mn8 N30 O30 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.6889","Synchrotron","","0.2576","0.1209","","","0.3187","0.353","","","","","","0.878","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569684","21.5986","0.0012","10.9746","0.0006","7.7065","0.0004","90","","93.459","0.003","90","","1823.39","0.17","120","2","120","2","","","","","","","synthesized by the authors","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N -","- C12 H11 N -","- C96 H88 N8 -","8","2","","Lončarić, Doroteja; Movahedifar, Fahimeh; Štoček, Jakub Radek; Dračínský, Martin; Cvačka, Josef; Guan, Shanshan; Bythell, Benjamin J.; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Solvent-controlled formation of alkali and alkali-earth-secured cucurbituril/guest trimers.","Chemical science","2023","14","35","9258","9266","10.1039/d3sc02032k","","","1.54178","CuKα","","0.1405","0.1129","","","0.3267","0.3468","","","","","","1.087","","","","has coordinates","286722","2023-10-05","23:53:41",""
"1569685","13.0447","0.001","8.5595","0.0006","11.9652","0.0008","90","","112.44","0.002","90","","1234.83","0.15","120","2","120","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 I N -","- C13 H14 I N -","- C52 H56 I4 N4 -","4","1","","Lončarić, Doroteja; Movahedifar, Fahimeh; Štoček, Jakub Radek; Dračínský, Martin; Cvačka, Josef; Guan, Shanshan; Bythell, Benjamin J.; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Solvent-controlled formation of alkali and alkali-earth-secured cucurbituril/guest trimers.","Chemical science","2023","14","35","9258","9266","10.1039/d3sc02032k","","","0.71073","MoKα","","0.0604","0.0558","","","0.1154","0.1169","","","","","","1.404","","","","has coordinates","286722","2023-10-05","23:53:41",""
"1569686","18.5283","0.0004","9.7746","0.0002","20.5","0.0004","90","","98.901","0.001","90","","3667.98","0.13","120","2","120","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Cl2 N2 O -","- C44 H54 Cl2 N2 O -","- C176 H216 Cl8 N8 O4 -","4","1","","Lončarić, Doroteja; Movahedifar, Fahimeh; Štoček, Jakub Radek; Dračínský, Martin; Cvačka, Josef; Guan, Shanshan; Bythell, Benjamin J.; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Solvent-controlled formation of alkali and alkali-earth-secured cucurbituril/guest trimers.","Chemical science","2023","14","35","9258","9266","10.1039/d3sc02032k","","","1.54178","CuKα","","0.0308","0.0296","","","0.0786","0.0797","","","","","","1.058","","","","has coordinates","286722","2023-10-05","23:53:41",""
"1569687","10.1283","0.0006","15.0534","0.0008","15.6108","0.0009","105.878","0.002","105.252","0.002","108.949","0.002","1996.7","0.2","120","2","120","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C46 H59 Cl2 N3 O2 -","- C46 H59 Cl2 N3 O2 -","- C92 H118 Cl4 N6 O4 -","2","1","","Lončarić, Doroteja; Movahedifar, Fahimeh; Štoček, Jakub Radek; Dračínský, Martin; Cvačka, Josef; Guan, Shanshan; Bythell, Benjamin J.; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Solvent-controlled formation of alkali and alkali-earth-secured cucurbituril/guest trimers.","Chemical science","2023","14","35","9258","9266","10.1039/d3sc02032k","","","0.71073","MoKα","","0.0336","0.0325","","","0.089","0.0901","","","","","","1.043","","","","has coordinates","286722","2023-10-05","23:53:41",""
"1569688","19.7947","0.0003","19.7947","0.0003","16.0477","0.0003","90","","90","","90","","6287.97","0.18","200","2","200","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C56 H40 Fe2 N24 O4 W -","- C56 H40 Fe2 N24 O4 W -","- C224 H160 Fe8 N96 O16 W4 -","4","0.25","","Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid","Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.","Chemical science","2023","14","36","9651","9663","10.1039/d3sc03255h","","","0.71073","MoKα","","0.023","0.0201","","","0.0523","0.0535","","","","","","1.095","","","","has coordinates","286711","2023-10-05","23:51:34",""
"1569689","18.8695","0.0004","18.8695","0.0004","15.4503","0.0005","90","","90","","90","","5501.2","0.2","80","2","80","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H32 Fe2 N24 W -","- C56 H32 Fe2 N24 W -","- C224 H128 Fe8 N96 W4 -","4","0.25","","Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid","Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.","Chemical science","2023","14","36","9651","9663","10.1039/d3sc03255h","","","0.71073","MoKα","","0.0378","0.034","","","0.0665","0.0674","","","","","","1.114","","","","has coordinates","286711","2023-10-05","23:51:35",""
"1569690","19.1966","0.0004","19.1966","0.0004","15.8129","0.0005","90","","90","","90","","5827.2","0.3","200","2","200","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H32 Fe2 N24 W -","- C56 H32 Fe2 N24 W -","- C224 H128 Fe8 N96 W4 -","4","0.25","","Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid","Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.","Chemical science","2023","14","36","9651","9663","10.1039/d3sc03255h","","","0.71073","MoKα","","0.0437","0.0393","","","0.0734","0.0747","","","","","","1.136","","","","has coordinates","286711","2023-10-05","23:51:35",""
"1569691","19.1481","0.0004","19.1481","0.0004","15.7535","0.0006","90","","90","","90","","5776","0.3","140","2","140","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H32 Fe2 N24 W -","- C56 H32 Fe2 N24 W -","- C224 H128 Fe8 N96 W4 -","4","0.25","","Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid","Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.","Chemical science","2023","14","36","9651","9663","10.1039/d3sc03255h","","","0.71073","MoKα","","0.0415","0.0382","","","0.0779","0.0788","","","","","","1.157","","","","has coordinates","286711","2023-10-05","23:51:35",""
"1569692","10.581","0.0003","12.0311","0.0003","20.7727","0.0005","90","","90","","90","","2644.39","0.12","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 F3 N4 O2 -","- C31 H23 F3 N4 O2 -","- C124 H92 F12 N16 O8 -","4","1","","Hao, Yu; Li, Zi-Hao; Ma, Zhi-Gang; Liu, Ru-Xin; Ge, Rui-Tian; Li, Quan-Zhe; Ding, Tong-Mei; Zhang, Shu-Yu","Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction.","Chemical science","2023","14","35","9496","9502","10.1039/d3sc02705h","","","1.54178","CuKα","","0.0379","0.033","","","0.0834","0.0889","","","","","","1.033","","","","has coordinates","286719","2023-10-05","23:53:17",""
"1569693","10.5678","0.0002","11.8802","0.0003","21.0636","0.0004","90","","90","","90","","2644.48","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 F3 N4 O2 -","- C31 H27 F3 N4 O2 -","- C124 H108 F12 N16 O8 -","4","1","","Hao, Yu; Li, Zi-Hao; Ma, Zhi-Gang; Liu, Ru-Xin; Ge, Rui-Tian; Li, Quan-Zhe; Ding, Tong-Mei; Zhang, Shu-Yu","Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction.","Chemical science","2023","14","35","9496","9502","10.1039/d3sc02705h","","","1.54178","CuKα","","0.032","0.0293","","","0.0738","0.0759","","","","","","1.036","","","","has coordinates","286719","2023-10-05","23:53:17",""
"1569694","11.977","0.005","11.977","","42.045","0.013","90","","90","","90","","6031","3","173","2","173","2","","","","","","","","4","P 43","P 4cw","78","","","","- C36 H34 N4 O3 -","- C36 H34 N4 O3 -","- C288 H272 N32 O24 -","8","2","","Hao, Yu; Li, Zi-Hao; Ma, Zhi-Gang; Liu, Ru-Xin; Ge, Rui-Tian; Li, Quan-Zhe; Ding, Tong-Mei; Zhang, Shu-Yu","Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction.","Chemical science","2023","14","35","9496","9502","10.1039/d3sc02705h","","","1.54178","CuKα","","0.0656","0.0488","","","0.1268","0.1399","","","","","","1.029","","","","has coordinates","286719","2023-10-05","23:53:17",""
"1569697","9.0318","0.0005","12.2358","0.0006","13.0518","0.0007","90","","90","","90","","1442.37","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Cd I4 N2 -","- C4 H12 Cd I4 N2 -","- C16 H48 Cd4 I16 N8 -","4","1","","Wu, Huai-Yu; Hu, Chun-Li; Xu, Miao-Bin; Chen, Qian-Qian; Ma, Nan; Huang, Xiao-Ying; Du, Ke-Zhao; Chen, Jin","From H12C4N2CdI4 to H11C4N2CdI3: a highly polarizable CdNI3 tetrahedron induced a sharp enhancement of second harmonic generation response and birefringence.","Chemical science","2023","14","35","9533","9542","10.1039/d3sc03052k","","x-ray","0.71073","MoKα","","0.0461","0.0408","","","0.085","0.0883","","","","","","1.047","","","","has coordinates","286721","2023-10-05","23:53:32",""
"1569698","14.368","0.0006","7.1349","0.0001","13.7778","0.0005","90","","121.298","0.005","90","","1206.88","0.09","109","3","109","3","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H11 Cd I3 N2 -","- C4 H11 Cd I3 N2 -","- C16 H44 Cd4 I12 N8 -","4","1","","Wu, Huai-Yu; Hu, Chun-Li; Xu, Miao-Bin; Chen, Qian-Qian; Ma, Nan; Huang, Xiao-Ying; Du, Ke-Zhao; Chen, Jin","From H12C4N2CdI4 to H11C4N2CdI3: a highly polarizable CdNI3 tetrahedron induced a sharp enhancement of second harmonic generation response and birefringence.","Chemical science","2023","14","35","9533","9542","10.1039/d3sc03052k","","x-ray","1.54184","CuKα","","0.0425","0.0424","","","0.1041","0.1043","","","","","","1.061","","","","has coordinates","286721","2023-10-05","23:53:32",""
"1569699","8.7095","0.0004","8.6086","0.0004","19.3283","0.0008","90","","93.799","0.002","90","","1445.99","0.11","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.0907","0.0576","","","0.1263","0.1457","","","","","","1.001","","","","has coordinates","286716","2023-10-05","23:52:31",""
"1569700","7.3855","0.0018","10.729","0.003","12.101","0.004","65.688","0.01","78.414","0.011","71.301","0.009","825.1","0.4","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C40 H36 O10 -","2","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.0884","0.0677","","","0.1592","0.1743","","","","","","1.036","","","","has coordinates,has disorder","286716","2023-10-05","23:52:32",""
"1569701","9.0013","0.0018","16.186","0.003","21.094","0.004","90","","90","","90","","3073.3","1","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.0959","0.0667","","","0.156","0.1741","","","","","","1.049","","","","has coordinates,has disorder","286716","2023-10-05","23:52:32",""
"1569702","10.4074","0.0006","18.1894","0.001","9.8502","0.0006","90","","100.929","0.002","90","","1830.87","0.18","101","2","101","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C88 H76 N4 O20 -","4","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","x-ray","0.71073","MoKα","","0.0649","0.0548","","","0.1341","0.1431","","","","","","1.052","","","","has coordinates","286716","2023-10-05","23:52:32",""
"1569703","10.583","0.008","7.649","0.006","20.107","0.014","90","","104.03","0.02","90","","1579","2","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.1618","0.0893","","","0.2088","0.2582","","","","","","1.008","","","","has coordinates","286716","2023-10-05","23:52:32",""
"1569704","9.538","0.002","10.289","0.002","16.613","0.004","90","","94.677","0.01","90","","1624.9","0.6","139","2","139","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.0856","0.0604","","","0.1283","0.1416","","","","","","1.038","","","","has coordinates","286716","2023-10-05","23:52:32",""
"1569705","3.9804","0.0001","11.8021","0.0004","12.6373","0.0004","103.661","0.001","96.063","0.001","98.357","0.001","564.66","0.03","293","2","293","","","","","","","","","4","P -1","-P 1","2","","thianthreno[2,3-c][1,2,5]thiadiazole","","- C12 H6 N2 S3 -","- C12 H6 N2 S3 -","- C24 H12 N4 S6 -","2","1","","Zhao, Shuaiqiang; Yang, Zhiqiang; Zhang, Xiangyu; Liu, Haichao; Lv, Yingbo; Wang, Shiyin; Yang, Zhongzhao; Zhang, Shi-Tong; Yang, Bing","A functional unit combination strategy for enhancing red room-temperature phosphorescence.","Chemical science","2023","14","36","9733","9743","10.1039/d3sc03668e","","","0.71073","MoKα","","0.032","0.0305","","","0.0788","0.0805","","","","","","1.098","","","","has coordinates","286710","2023-10-05","23:51:21",""
"1569706","14.4489","0.001","3.8802","0.0002","18.6217","0.0013","90","","93.458","0.003","90","","1042.12","0.12","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","phenoxathiino[2,3-c][1,2,5]thiadiazole","","- C12 H6 N2 O S2 -","- C12 H6 N2 O S2 -","- C48 H24 N8 O4 S8 -","4","1","","Zhao, Shuaiqiang; Yang, Zhiqiang; Zhang, Xiangyu; Liu, Haichao; Lv, Yingbo; Wang, Shiyin; Yang, Zhongzhao; Zhang, Shi-Tong; Yang, Bing","A functional unit combination strategy for enhancing red room-temperature phosphorescence.","Chemical science","2023","14","36","9733","9743","10.1039/d3sc03668e","","","0.71073","MoKα","","0.0651","0.0414","","","0.092","0.1034","","","","","","1.035","","","","has coordinates","286710","2023-10-05","23:51:21",""
"1569707","22.528","0.003","3.9061","0.0004","22.895","0.003","90","","96.977","0.01","90","","1999.8","0.4","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","benzo[5',6'][1,4]dioxino[2',3':4,5]benzo[1,2-c][1,2,5]thiadiazole","","- C12 H6 N2 O2 S -","- C12 H6 N2 O2 S -","- C96 H48 N16 O16 S8 -","8","1","","Zhao, Shuaiqiang; Yang, Zhiqiang; Zhang, Xiangyu; Liu, Haichao; Lv, Yingbo; Wang, Shiyin; Yang, Zhongzhao; Zhang, Shi-Tong; Yang, Bing","A functional unit combination strategy for enhancing red room-temperature phosphorescence.","Chemical science","2023","14","36","9733","9743","10.1039/d3sc03668e","","","0.71073","MoKα","","0.1256","0.0836","","","0.2054","0.2194","","","","","","1.098","","","","has coordinates","286710","2023-10-05","23:51:21",""
"1569708","8.0594","0.0003","8.1066","0.0002","9.6165","0.0003","101.514","0.002","91.816","0.003","90.723","0.002","615.22","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","BDAAGSBBR8","","- C8 H28 Ag Br8 N4 Sb -","- C8 H28 Ag Br8 N4 Sb -","- C8 H28 Ag Br8 N4 Sb -","1","0.5","","Mandal, Arnab; Gupta, Shresth; Dutta, Supriti; Pati, Swapan K.; Bhattacharyya, Sayan","Transition from Dion-Jacobson hybrid layered double perovskites to 1D perovskites for ultraviolet to visible photodetection.","Chemical science","2023","14","36","9770","9779","10.1039/d3sc01919e","","x-ray","0.71073","MoKα","","0.0723","0.0628","","","0.1463","0.1529","","","","","","1.058","","","","has coordinates","286706","2023-10-05","23:46:58",""
"1569709","8.1086","0.0002","13.3832","0.0004","14.4748","0.0003","90","","90","","90","","1570.79","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 Br5 N2 Sb -","- C6 H18 Br5 N2 Sb -","- C24 H72 Br20 N8 Sb4 -","4","1","","Mandal, Arnab; Gupta, Shresth; Dutta, Supriti; Pati, Swapan K.; Bhattacharyya, Sayan","Transition from Dion-Jacobson hybrid layered double perovskites to 1D perovskites for ultraviolet to visible photodetection.","Chemical science","2023","14","36","9770","9779","10.1039/d3sc01919e","","x-ray","0.71073","MoKα","","0.0759","0.0582","","","0.1161","0.1217","","","","","","1.037","","","","has coordinates","286706","2023-10-05","23:46:58",""
"1569710","7.9577","0.0003","8.2842","0.0004","11.9964","0.0007","72.473","0.005","82.03","0.004","89.433","0.004","746.42","0.07","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Ag0.5 Bi0.5 Br4 N2 -","- C6 H18 Ag0.5 Bi0.5 Br4 N2 -","- C12 H36 Ag Bi Br8 N4 -","2","1","","Mandal, Arnab; Gupta, Shresth; Dutta, Supriti; Pati, Swapan K.; Bhattacharyya, Sayan","Transition from Dion-Jacobson hybrid layered double perovskites to 1D perovskites for ultraviolet to visible photodetection.","Chemical science","2023","14","36","9770","9779","10.1039/d3sc01919e","","x-ray","0.71073","MoKα","","0.0977","0.0877","","","0.2169","0.2209","","","","","","1.161","","","","has coordinates","286706","2023-10-05","23:46:58",""
"1569711","8.1078","0.0002","8.2497","0.0002","9.687","0.0002","101.157","0.002","92.086","0.002","90.386","0.002","635.2","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","BDA2AgBiBr8","","- C8 H28 Ag Bi Br8 N4 -","- C8 H28 Ag Bi Br8 N4 -","- C8 H28 Ag Bi Br8 N4 -","1","0.5","","Mandal, Arnab; Gupta, Shresth; Dutta, Supriti; Pati, Swapan K.; Bhattacharyya, Sayan","Transition from Dion-Jacobson hybrid layered double perovskites to 1D perovskites for ultraviolet to visible photodetection.","Chemical science","2023","14","36","9770","9779","10.1039/d3sc01919e","","x-ray","0.71073","MoKα","","0.0819","0.0698","","","0.1984","0.2106","","","","","","1.042","","","","has coordinates","286706","2023-10-05","23:46:58",""
"1569712","5.2057","0.0001","20.7249","0.0005","12.8023","0.0003","90","","99.7432","0.0015","90","","1361.29","0.05","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","2","","Kitcatt, David M.; Scott, Katie A.; Rongione, Elena; Nicolle, Simon; Lee, Ai-Lan","Direct decarboxylative Giese amidations: photocatalytic vs. metal- and light-free.","Chemical science","2023","14","36","9806","9813","10.1039/d3sc03143h","","","1.54178","CuKα","","0.205","0.1991","","","0.5464","0.5539","","","","","","1.026","","","","has coordinates","286712","2023-10-05","23:51:42",""
"1569713","16.0468","0.0004","16.0468","0.0004","9.8253","0.0003","90","","90","","120","","2191.06","0.1","120","2","120","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","[Ru(5-oxido-6-hydroxy-1,10-phenanthroline)(5,6-dihydroxy1,10-phenanthroline)2] chloride","","- C36 H23 Cl N6 O12 Ru -","- C36 H23.0001 Cl N6 O12 Ru -","- C72 H46.0002 Cl2 N12 O24 Ru2 -","2","0.333333","","Gupta, Deepak; Chanteux, Géraldine; Kumar, Gulshan; Robeyns, Koen; Vlad, Alexandru","Modular metallotecton for engineering permanently porous frameworks: supernumerary role of ancillary ion.","Chemical science","2023","14","36","9780","9786","10.1039/d3sc02068a","","","0.71073","MoKα","","0.0635","0.0613","","","0.1505","0.152","","","","","","1.087","","","","has coordinates","286714","2023-10-05","23:51:58",""
"1569714","13.2103","0.0017","12.687","0.002","25.365","0.004","90","","99.389","0.014","90","","4194.2","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Lithium [Ru(II)(1,10-phenanthroline-5,6-semiquinone)3]","","- C45 H39 Li N9 O9 Ru -","- C45 H39 Li N9 O9 Ru -","- C180 H156 Li4 N36 O36 Ru4 -","4","1","","Gupta, Deepak; Chanteux, Géraldine; Kumar, Gulshan; Robeyns, Koen; Vlad, Alexandru","Modular metallotecton for engineering permanently porous frameworks: supernumerary role of ancillary ion.","Chemical science","2023","14","36","9780","9786","10.1039/d3sc02068a","","","0.71073","MoKα","","0.202","0.121","","","0.2421","0.2834","","","","","","1.068","","","","has coordinates","286714","2023-10-05","23:51:59",""
"1569715","9.5706","0.0005","27.2115","0.0013","16.1676","0.001","90","","90.702","0.005","90","","4210.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Ru(5-oxido-6-hydroxy-1,10-phenanthroline)(5,6-dihydroxy1,10-phenanthroline)2] Bromide","","- C36 H23 Br N6 O8 Ru -","- C36 H23 Br N6 O8 Ru -","- C144 H92 Br4 N24 O32 Ru4 -","4","1","","Gupta, Deepak; Chanteux, Géraldine; Kumar, Gulshan; Robeyns, Koen; Vlad, Alexandru","Modular metallotecton for engineering permanently porous frameworks: supernumerary role of ancillary ion.","Chemical science","2023","14","36","9780","9786","10.1039/d3sc02068a","","","0.71073","MoKα","","0.1254","0.0717","","","0.1709","0.199","","","","","","1.023","","","","has coordinates,has disorder","286714","2023-10-05","23:51:59",""
"1569716","25.843","0.0019","11.7629","0.0008","22.1155","0.0017","90","","114.085","0.003","90","","6137.6","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Br, C34 H26 P, C2 H6 O, C2 H6 O, H2 O","","- C74 H74 Br2 O5 P2 -","- C74 H74 Br2 O5 P2 -","- C296 H296 Br8 O20 P8 -","4","0.5","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0678","0.0559","","","0.1604","0.1709","","","","","","1.07","","","","has coordinates","287327","2023-11-06","07:07:51",""
"1569717","12.23","0.002","12.471","0.003","19.36","0.005","90","","90","","90","","2952.8","1.1","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 Cl3 P -","- C35 H28 Cl3 P -","- C140 H112 Cl12 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1147","0.085","","","0.1952","0.211","","","","","","1.074","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569718","11.0759","0.0008","11.4222","0.0008","27.0428","0.0017","90","","90","","90","","3421.2","0.4","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 B Cl2 F4 O2 P -","- C35 H32 B Cl2 F4 O2 P -","- C140 H128 B4 Cl8 F16 O8 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1029","0.0892","","","0.2507","0.2667","","","","","","1.13","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569719","12.2","0.004","12.614","0.003","19.437","0.005","90","","90","","90","","2991.2","1.4","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 Cl3 P -","- C35 H28 Cl3 P -","- C140 H112 Cl12 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0837","0.0587","","","0.1536","0.1693","","","","","","1.063","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569720","11.0745","0.0007","11.4366","0.0008","27.0879","0.0017","90","","90","","90","","3430.8","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 B F4 P -","- C34 H26 B F4 P -","- C136 H104 B4 F16 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0892","0.0583","","","0.1327","0.1448","","","","","","0.949","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569721","8.6233","0.0014","18.799","0.003","19.623","0.003","113.171","0.005","95.078","0.006","93.304","0.005","2898.1","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H50 Cl6 Mn2 O10 P2 -","- C58 H50 Cl6 Mn2 O10 P2 -","- C116 H100 Cl12 Mn4 O20 P4 -","2","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1052","0.0738","","","0.2056","0.2322","","","","","","1.128","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569722","29.9808","0.0017","23.9647","0.0012","32.511","0.003","90","","116.312","0.002","90","","20938","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C208 H184 B4 F16 P4 -","- C208 H184 B4 F16 P4 -","- C832 H736 B16 F64 P16 -","4","0.5","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","1.34139","GaKα","","0.1274","0.0981","","","0.2467","0.2618","","","","","","1.013","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569723","11.7291","0.0011","21.4215","0.0019","19.3277","0.0019","90","","106.219","0.004","90","","4662.9","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H38 Cl4 Mn O9 P2 -","- C52 H38 Cl4 Mn O9 P2 -","- C208 H152 Cl16 Mn4 O36 P8 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0525","0.0438","","","0.1069","0.1123","","","","","","1.052","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569724","12.28","0.004","12.55","0.004","19.659","0.006","90","","90","","90","","3029.7","1.7","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 Br Cl2 P -","- C35 H28 Br Cl2 P -","- C140 H112 Br4 Cl8 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0451","0.0427","","","0.1165","0.1194","","","","","","1.058","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569725","32.764","0.003","8.5089","0.0008","19.653","0.002","90","","118.644","0.006","90","","4808.4","0.8","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C64 H56 P2 -","- C64 H56 P2 -","- C256 H224 P8 -","4","0.5","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1063","0.0632","","","0.1654","0.1979","","","","","","0.99","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569726","11.3669","0.0007","11.7224","0.0007","18.4484","0.0012","90","","92.265","0.002","90","","2456.3","0.3","193","2","193.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 B F4 P -","- C32 H22 B F4 P -","- C128 H88 B4 F16 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0562","0.0469","","","0.1224","0.13","","","","","","1.028","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569727","9.2214","0.0009","13.2109","0.0012","18.8909","0.0016","95.7","0.003","99.414","0.003","101.148","0.004","2207","0.4","200","2","200","2","","","","","","","","4","P 1","P 1","1","","(6,6'-bis(4-methoxyphenyl)-[1,1'-binaphthalene]-2,2'-diyl)bis(diphenylphosphane)","","- C58 H44 O2 P2 -","- C58 H44 O2 P2 -","- C116 H88 O4 P4 -","2","2","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0556","0.0461","","","0.1212","0.1313","","","","","","1.035","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569728","11.8054","0.0004","11.5114","0.0004","19.2346","0.0007","90","","93.387","0.001","90","","2609.35","0.16","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 F6 P2 -","- C32 H22 F6 P2 -","- C128 H88 F24 P8 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1001","0.0774","","","0.214","0.2335","","","","","","1.063","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569729","8.1589","0.0006","13.3454","0.0011","20.1127","0.0015","105.202","0.003","99.249","0.003","92.305","0.004","2078","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H40 P2 -","- C56 H40 P2 -","- C112 H80 P4 -","2","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0629","0.0486","","","0.1513","0.1723","","","","","","1.121","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569730","11.5658","0.0005","14.0383","0.0007","12.2223","0.0006","90","","116.441","0.001","90","","1776.88","0.15","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H34 B F4 O2 P -","- C46 H34 B F4 O2 P -","- C92 H68 B2 F8 O4 P2 -","2","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0851","0.0503","","","0.1125","0.1389","","","","","","1.051","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569731","13.5549","0.0015","18.4613","0.0018","8.6468","0.0009","90","","90","","90","","2163.8","0.4","296","2","296.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C58 H44 P2 -","- C58 H44 P2 -","- C116 H88 P4 -","2","0.5","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0873","0.0598","","","0.147","0.1638","","","","","","1.027","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569732","12.2007","0.0007","18.1269","0.0012","20.8115","0.0011","90","","90","","90","","4602.7","0.5","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C59 H46 Cl2 P2 -","- C59 H46 Cl2 P2 -","- C236 H184 Cl8 P8 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1395","0.0676","","","0.1655","0.2259","","","","","","1.063","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569740","10.9182","0.0002","22.7514","0.0005","11.4864","0.0003","90","","101.588","0.002","90","","2795.11","0.11","150","0.2","150","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 F4 I2 N4 O -","- C25 H32 F4 I2 N4 O -","- C100 H128 F16 I8 N16 O4 -","4","1","","Huang, Shiwen; Zheng, Jianlin; Jiang, Zihao; Liu, Jiaxiong; Liu, Yiliu","Exploring the supramolecular chemistry of cyclopropeniums: halogen-bonding-induced electrostatic assembly of polymers.","Chemical science","2023","14","36","9820","9826","10.1039/d3sc03086e","","x-ray","1.54184","CuKα","","0.0745","0.0642","","","0.1662","0.1788","","","","","","1.05","","","","has coordinates","286713","2023-10-05","23:51:49",""
"1569741","8.3614","0.0001","8.3614","0.0001","18.0048","0.0006","90","","90","","90","","1258.77","0.05","150","","150","","","","","","","","","4","I -4","I -4","82","","","","- C28 H22 Fe N8 -","- C28 H22 Fe N8 -","- C56 H44 Fe2 N16 -","2","0.25","","Johnson, Catherine Ellen; Schwarz, Jesper; Deegbey, Mawuli; Prakash, Om; Sharma, Kumkum; Huang, Ping; Ericsson, Tore; Häggström, Lennart; Bendix, Jesper; Gupta, Arvind Kumar; Jakubikova, Elena; Wärnmark, Kenneth; Lomoth, Reiner","Ferrous and ferric complexes with cyclometalating N-heterocyclic carbene ligands: a case of dual emission revisited.","Chemical science","2023","14","37","10129","10139","10.1039/d3sc02806b","","","0.71073","MoKα","","0.1076","0.0893","","","0.2242","0.2463","","","","","","1.072","","","","has coordinates","286699","2023-10-05","23:43:51",""
"1569742","23.182","0.0006","19.7134","0.0003","20.7973","0.0004","90","","102.186","0.002","90","","9290.1","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","FeIIICAB-2CM-150K","","- C28 H26 F6 Fe N8 P -","- C28 H26 F6 Fe N8 P -","- C336 H312 F72 Fe12 N96 P12 -","12","3","","Johnson, Catherine Ellen; Schwarz, Jesper; Deegbey, Mawuli; Prakash, Om; Sharma, Kumkum; Huang, Ping; Ericsson, Tore; Häggström, Lennart; Bendix, Jesper; Gupta, Arvind Kumar; Jakubikova, Elena; Wärnmark, Kenneth; Lomoth, Reiner","Ferrous and ferric complexes with cyclometalating N-heterocyclic carbene ligands: a case of dual emission revisited.","Chemical science","2023","14","37","10129","10139","10.1039/d3sc02806b","","","0.71073","MoKα","","0.1172","0.059","","","0.1392","0.1645","","","","","","0.992","","","","has coordinates","286699","2023-10-05","23:43:51",""
"1569743","9.3359","0.0013","10.169","0.003","20.658","0.003","90","","90","","90","","1961.2","0.7","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C80 H104 N8 O24 -","8","1","","Malik, Monika; Senatore, Raffaele; Langer, Thierry; Holzer, Wolfgang; Pace, Vittorio","Base-mediated homologative rearrangement of nitrogen-oxygen bonds of N-methyl-N-oxyamides.","Chemical science","2023","14","37","10140","10146","10.1039/d3sc03216g","","x-ray","1.54186","CuKα","","0.056","0.0549","","","0.1523","0.1541","","","","","","1.051","","","","has coordinates","286698","2023-10-05","23:43:41",""
"1569744","35.3671","0.0011","7.1383","0.0002","28.5374","0.0006","90","","98.983","0.002","90","","7116.2","0.3","293","","293","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C64 H72 Ag2 B2 F8 N8 O12 -","- C64 H72 Ag2 B2 F8 N8 O12 -","- C256 H288 Ag8 B8 F32 N32 O48 -","4","1","","An, Shuguo; Hao, Aiyou; Xing, Pengyao","Supramolecular axial chirality in [N-I-N]+-type halogen bonded dimers.","Chemical science","2023","14","37","10194","10202","10.1039/d3sc03170e","","x-ray","1.54184","CuKα","","0.1242","0.0706","","","0.1668","0.1908","","","","","","1.002","","","","has coordinates","286701","2023-10-05","23:44:25",""
"1569748","10.8425","0.0008","6.299","0.0008","20.575","0.0019","90","","96.03","0.002","90","","1397.4","0.2","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 -","- C18 H14 F4 -","- C72 H56 F16 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","0.71073","MoKα","","0.0256","0.0193","","","0.0428","0.0455","","","","","","1.0836","","","","has coordinates","286707","2023-10-05","23:50:54",""
"1569749","29.688","0.002","6.2911","0.0005","11.942","0.0008","90","","90.063","0.003","90","","2230.4","0.3","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Si2 -","- C24 H34 Si2 -","- C96 H136 Si8 -","4","0.5","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","0.71073","MoKα","","0.0452","0.0377","","","0.0929","0.0993","","","","","","1.088","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569750","6.2717","0.0008","16.1815","0.0016","18.3606","0.0018","90","","90","","90","","1863.3","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","1.54178","CuKα","","0.0246","0.0241","","","0.0634","0.0637","","","","","","1.021","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569751","10.1015","0.0009","6.0988","0.0005","21.7233","0.0017","90","","90.575","0.004","90","","1338.24","0.19","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F -","- C18 H17 F -","- C72 H68 F4 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","0.71073","MoKα","","0.0219","0.019","","","0.0453","0.0469","","","","","","1.1368","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569752","17.5616","0.0013","5.8909","0.0005","17.906","0.0016","90","","106.549","0.004","90","","1775.7","0.3","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 -","- C26 H22 -","- C104 H88 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","0.71073","MoKα","","0.0179","0.013","","","0.0233","0.0253","","","","","","1.0321","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569753","10.719","0.0015","5.9192","0.0012","20.494","0.003","90","","94.366","0.006","90","","1296.5","0.4","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 -","- C18 H18 -","- C72 H72 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","0.71073","MoKα","","0.0197","0.0139","","","0.0257","0.0273","","","","","","1.0841","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569754","14.77","0.003","19.188","0.004","25.019","0.005","90","","106.906","0.003","90","","6784","2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C132 H202 Cs2 O25 Si4 -","- C128 H194 Cs2 O24 Si4 -","- C256 H388 Cs4 O48 Si8 -","2","0.5","","Lirette, Frédéric; Darvish, Ali; Zhou, Zheng; Wei, Zheng; Renn, Lukas; Petrukhina, Marina A.; Weitz, R. Thomas; Morin, Jean-François","Dibenzannulated peri-acenoacenes from anthanthrene derivatives.","Chemical science","2023","14","37","10184","10193","10.1039/d3sc02898d","","x-ray","0.49594","synchrotron","","0.1778","0.1172","","","0.3336","0.3795","","","","","","1.278","","","","has coordinates,has disorder","286697","2023-10-05","23:43:34",""
"1569755","9.7676","0.0015","10.6234","0.0016","12.9739","0.0016","74.896","0.006","74.919","0.006","77.645","0.006","1239.4","0.3","150.15","","150.15","","","","","","","","","3","P -1","-P 1","2","","methyl 3-(2-hydroxy-7-phenylnaphthalen-1-yl)-3-phenylcyclobutane-1-carboxylate","","- C28 H24 O3 -","- C28 H24 O3 -","- C56 H48 O6 -","2","1","","Tang, Lei; Huang, Qi-Nan; Wu, Feng; Xiao, Yuanjiu; Zhou, Jin-Lan; Xu, Tong-Tong; Wu, Wen-Biao; Qu, Shuanglin; Feng, Jian-Jun","C(sp2)-H cyclobutylation of hydroxyarenes enabled by silver-π-acid catalysis: diastereocontrolled synthesis of 1,3-difunctionalized cyclobutanes.","Chemical science","2023","14","36","9696","9703","10.1039/d3sc03258b","","","0.71073","MoKα","","0.0721","0.0585","","","0.176","0.1861","","","","","","1.064","","","","has coordinates","286709","2023-10-05","23:51:13",""
"1569758","12.4061","0.0004","15.0978","0.0005","11.6059","0.0003","90","","106.806","0.001","90","","2080.99","0.11","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl N O4 -","- C25 H22 Cl N O4 -","- C100 H88 Cl4 N4 O16 -","4","1","","Jeyaseelan, R.; Utikal, M.; Daniliuc, C. G.; Næsborg, L","Photocyclization by a triplet-triplet annihilation upconversion pair in water - avoiding UV-light and oxygen removal.","Chemical science","2023","14","40","11040","11044","10.1039/d3sc03242f","","single crystal","0.71073","MoKα","","0.0359","0.0308","","","0.0761","0.0804","","","","","","1.065","","","","has coordinates","287317","2023-11-06","07:00:01",""
"1569760","16.4587","0.0002","13.3487","0.00017","20.0214","0.0002","90","","102.204","0.0013","90","","4299.34","0.09","100.03","0.13","100.03","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H41 Cu N6 O2 -","- C56 H41 Cu N6 O2 -","- C224 H164 Cu4 N24 O8 -","4","1","","Xie, Zhu-Lin; Gupta, Nikita; Niklas, Jens; Poluektov, Oleg G.; Lynch, Vincent M.; Glusac, Ksenija D.; Mulfort, Karen L.","Photochemical charge accumulation in a heteroleptic copper(i)-anthraquinone molecular dyad via proton-coupled electron transfer.","Chemical science","2023","14","37","10219","10235","10.1039/d3sc03428c","","x-ray","1.54184","CuKα","","0.0549","0.0481","","","0.125","0.1299","","","","","","1.041","","","","has coordinates,has disorder","286702","2023-10-05","23:44:34",""
"1569761","10.8051","0.0003","13.6401","0.0003","20.0438","0.0005","82.066","0.002","88.421","0.002","72.642","0.002","2792.3","0.13","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H40 Cu F6 N6 O2 P -","- C56 H40 Cu F6 N6 O2 P -","- C112 H80 Cu2 F12 N12 O4 P2 -","2","1","","Xie, Zhu-Lin; Gupta, Nikita; Niklas, Jens; Poluektov, Oleg G.; Lynch, Vincent M.; Glusac, Ksenija D.; Mulfort, Karen L.","Photochemical charge accumulation in a heteroleptic copper(i)-anthraquinone molecular dyad via proton-coupled electron transfer.","Chemical science","2023","14","37","10219","10235","10.1039/d3sc03428c","","","1.54184","CuKα","","0.0491","0.0438","","","0.117","0.1223","","","","","","1.029","","","","has coordinates,has disorder","286702","2023-10-05","23:44:35",""
"1569764","10.4207","0.0006","12.7439","0.0007","26.3116","0.0013","90","","93.427","0.002","90","","3487.9","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H58 Cl4 N8 Ru2 -","- C84 H58 Cl3.9998 N8 Ru2 -","- C168 H116 Cl7.9996 N16 Ru4 -","2","0.5","","Shing, Ka-Pan; Qin, Lin; Wu, Liang-Liang; Huang, Jie-Sheng; Che, Chi-Ming","Ruthenium(v) terminal arylimido corroles: isolation, spectroscopic characterization and reactivity.","Chemical science","2023","14","38","10602","10609","10.1039/d3sc02266h","","","1.54178","CuKα","","0.0824","0.0727","","","0.1782","0.1858","","","","","","1.101","","","","has coordinates,has disorder","287328","2023-11-06","07:08:09",""
"1569765","11.6532","0.0001","13.3957","0.00011","14.0284","0.00012","90","","90","","90","","2189.87","0.03","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N3 O4 -","- C25 H19 N3 O4 -","- C100 H76 N12 O16 -","4","1","","Nimmo, Alastair J.; Bitai, Jacqueline; Young, Claire M.; McLaughlin, Calum; Slawin, Alexandra M. Z.; Cordes, David B.; Smith, Andrew D.","Enantioselective isothiourea-catalysed reversible Michael addition of aryl esters to 2-benzylidene malononitriles.","Chemical science","2023","14","27","7537","7544","10.1039/d3sc02101g","","","1.54184","CuKα","","0.0302","0.03","","","0.0813","0.0815","","","","","","1.029","","","","has coordinates","285973","2023-09-04","06:56:54",""
"1569766","5.87366","0.00008","9.56529","0.00013","36.9186","0.0004","90","","90","","90","","2074.21","0.05","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 F4 N2 O2 -","- C25 H16 F4 N2 O2 -","- C100 H64 F16 N8 O8 -","4","1","","Nimmo, Alastair J.; Bitai, Jacqueline; Young, Claire M.; McLaughlin, Calum; Slawin, Alexandra M. Z.; Cordes, David B.; Smith, Andrew D.","Enantioselective isothiourea-catalysed reversible Michael addition of aryl esters to 2-benzylidene malononitriles.","Chemical science","2023","14","27","7537","7544","10.1039/d3sc02101g","","","1.54184","CuKα","","0.0513","0.0513","","","0.1078","0.1079","","","","","","1.23","","","","has coordinates","285973","2023-09-04","06:57:06",""
"1569767","7.8355","0.0001","9.0262","0.0001","26.1596","0.0004","90","","90","","90","","1850.13","0.04","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Nimmo, Alastair J.; Bitai, Jacqueline; Young, Claire M.; McLaughlin, Calum; Slawin, Alexandra M. Z.; Cordes, David B.; Smith, Andrew D.","Enantioselective isothiourea-catalysed reversible Michael addition of aryl esters to 2-benzylidene malononitriles.","Chemical science","2023","14","27","7537","7544","10.1039/d3sc02101g","","x-ray","1.54184","CuKα","","0.0333","0.0327","","","0.0903","0.0906","","","","","","1.049","","","","has coordinates","285973","2023-09-04","06:57:09",""
"1569773","27.7943","0.0005","16.036","0.0003","34.0568","0.0006","90","","110.683","0.001","90","","14201.1","0.5","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C120 H120 Cl4 Ir4 N8 Na O13 -","- C120 H120 Cl4 Ir4 N8 Na O13 -","- C480 H480 Cl16 Ir16 N32 Na4 O52 -","4","1","","Nguyen, Hieu D.; Jana, Rahul D.; Campbell, Dylan T.; Tran, Thi V.; Do, Loi H.","Lewis acid-driven self-assembly of diiridium macrocyclic catalysts imparts substrate selectivity and glutathione tolerance.","Chemical science","2023","14","37","10264","10272","10.1039/d3sc02836d","","","0.71073","MoKα","","0.1002","0.0493","","","0.1098","0.141","","","","","","1.01","","","","has coordinates","286696","2023-10-05","23:43:24",""
"1569789","9.4279","0.0005","14.3589","0.0007","21.7932","0.0009","90","","100.919","0.002","90","","2896.8","0.2","306","2","306","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Zn(H3qp4)](OTf)","(1-(2,5-dihydroxybenzyl)-8-(2,5-dihydroxybenzylalkoxide)-1,4,8,11-tetraazacyclotetradecane)zinc(II) triflate","","- C25 H35 F3 N4 O7 S Zn -","- C25 H35 F3 N4 O7 S Zn -","- C100 H140 F12 N16 O28 S4 Zn4 -","4","1","","Karbalaei, Sana; Franke, Alicja; Oppelt, Julian; Aziz, Tarfi; Jordan, Aubree; Pokkuluri, P. Raj; Schwartz, Dean D.; Ivanović-Burmazović, Ivana; Goldsmith, Christian R.","A macrocyclic quinol-containing ligand enables high catalase activity even with a redox-inactive metal at the expense of the ability to mimic superoxide dismutase.","Chemical science","2023","14","36","9910","9922","10.1039/d3sc02398b","","","0.71073","MoKα","","0.0388","0.0318","","","0.0855","0.0915","","","","","","1.036","","","","has coordinates","286708","2023-10-05","23:51:06",""
"1569790","28.848","0.0012","11.2724","0.0003","25.8452","0.001","90","","110.243","0.004","90","","7885.4","0.5","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H88 Ag N O6 P2 S4 Ti -","- C82 H88 Ag N O6 P2 S4 Ti -","- C328 H352 Ag4 N4 O24 P8 S16 Ti4 -","4","1","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO2 electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","x-ray","0.71073","MoKα","","0.0969","0.0465","","","0.1125","0.1336","","","","","","1.04","","","","has coordinates,has disorder","286704","2023-10-05","23:45:16",""
"1569791","15.9991","0.0004","15.9991","0.0004","18.5546","0.0012","90","","90","","90","","4749.4","0.4","150","","150","","","","","","","","","7","P 42/m c m","-P 4c 2c","132","","","","- C84 H94 Ag4 N2 O10 S8 Ti2 -","- C84 H94 Ag4 N2 O10 S8 Ti2 -","- C168 H188 Ag8 N4 O20 S16 Ti4 -","2","0.125","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO2 electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","x-ray","0.71073","MoKα","","0.0823","0.0457","","","0.117","0.1339","","","","","","1.051","","","","has coordinates,has disorder","286704","2023-10-05","23:45:17",""
"1569792","13.4327","0.0004","19.1408","0.0005","19.9855","0.0006","90","","100.461","0.003","90","","5053.1","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H100 Ag2.6 O11 S8 Ti2 -","- C86 H100 Ag2.5994 O11 S8 Ti2 -","- C172 H200 Ag5.1988 O22 S16 Ti4 -","2","0.5","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO2 electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","x-ray","0.71073","MoKα","","0.0753","0.0553","","","0.1332","0.1397","","","","","","1.064","","","","has coordinates,has disorder","287939","2023-12-01","16:52:17",""
"1569793","22.9703","0.0013","15.9803","0.001","36.153","0.003","90","","95.01","0.007","90","","13220.1","1.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C89 H109 Ag2 N3 O12 S8 Ti2 -","- C89 H109 Ag2 N3 O12 S8 Ti2 -","- C356 H436 Ag8 N12 O48 S32 Ti8 -","4","1","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO2 electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","x-ray","0.71073","MoKα","","0.1518","0.0804","","","0.195","0.2211","","","","","","0.86","","","","has coordinates,has disorder","286704","2023-10-05","23:45:17",""
"1569794","22.273","0.0015","44.47","0.003","38.489","0.003","90","","90","","90","","38123","5","90","2","90","2","","","","","","","","8","P m n 21","P 2ac -2","31","","","","- C441 H508 Ag16 N26 Na2 O109 S32 Ti16 -","- C440.5 H508 Ag16 N26 Na2 O109 S32 Ti16 -","- C881 H1016 Ag32 N52 Na4 O218 S64 Ti32 -","2","0.5","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO2 electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","","1.34139","GaKα","","0.0969","0.0891","","","0.2203","0.2265","","","","","","1.088","","","","has coordinates,has disorder","286704","2023-10-05","23:45:17",""
"1569828","20.514","0.003","9.4966","0.0013","39.416","0.006","90","","104.097","0.005","90","","7447.5","1.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","dodecamethoxy[12]cycloparaphenylene","","","- C90 H84 O14 -","- C90 H84 O14 -","- C360 H336 O56 -","4","1","","Kamin, Ashlyn A.; Clayton, Tara D.; Otteson, Claire E.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Jasti, Ramesh; Xiao, Dianne J.","Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes.","Chemical science","2023","14","36","9724","9732","10.1039/d3sc03561a","","x-ray","0.7288","synchrotron","","0.1445","0.1274","","","0.2752","0.282","","","","","","1.062","","","","has coordinates,has disorder","286715","2023-10-05","23:52:16",""
"1569829","11.6451","0.0007","10.9012","0.0006","14.0135","0.0007","90","","109.99","0.003","90","","1671.77","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl2 O4 Ru2 -","- C38 H38 Cl2 O4 Ru2 -","- C76 H76 Cl4 O8 Ru4 -","2","0.5","","Kamin, Ashlyn A.; Clayton, Tara D.; Otteson, Claire E.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Jasti, Ramesh; Xiao, Dianne J.","Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes.","Chemical science","2023","14","36","9724","9732","10.1039/d3sc03561a","","x-ray","0.71073","MoKα","","0.0525","0.0307","","","0.0582","0.0653","","","","","","1.015","","","","has coordinates","286715","2023-10-05","23:52:17",""
"1569830","19.7037","0.0019","8.3789","0.0008","21.004","0.002","90","","108.289","0.003","90","","3292.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","tetrafluoro[12]cycloparaphenylene","","- C72 H44 F4 -","- C72 H44 F4 -","- C144 H88 F8 -","2","0.5","","Kamin, Ashlyn A.; Clayton, Tara D.; Otteson, Claire E.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Jasti, Ramesh; Xiao, Dianne J.","Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes.","Chemical science","2023","14","36","9724","9732","10.1039/d3sc03561a","","x-ray","0.7288","synchrotron","","0.0802","0.0706","","","0.2148","0.224","","","","","","1.033","","","","has coordinates,has disorder","286715","2023-10-05","23:52:17",""
"1569831","57.683","0.004","12.1111","0.0008","50.915","0.003","90","","90","","90","","35569","4","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","tetramethoxy[12]cycloparaphenylene","","","- C78 H57 Cl3 O4 -","- C78 H57 Cl3 O4 -","- C1248 H912 Cl48 O64 -","16","1","","Kamin, Ashlyn A.; Clayton, Tara D.; Otteson, Claire E.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Jasti, Ramesh; Xiao, Dianne J.","Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes.","Chemical science","2023","14","36","9724","9732","10.1039/d3sc03561a","","x-ray","0.71073","MoKα","","0.18","0.1202","","","0.3064","0.3545","","","","","","1.05","","","","has coordinates,has disorder","286715","2023-10-05","23:52:17",""
"1569832","8.8558","0.0007","17.2619","0.0011","10.454","0.0008","90","","91.877","0.003","90","","1597.2","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H28 Br N O4 S -","- C38 H28 Br N O4 S -","- C76 H56 Br2 N2 O8 S2 -","2","1","","Khuntia, Rupkumar; Mahapatra, Sanat Kumar; Roy, Lisa; Chandra Pan, Subhas","Structurally divergent enantioselective synthesis of benzofuran fused azocine derivatives and spiro-cyclopentanone benzofurans enabled by sequential catalysis.","Chemical science","2023","14","39","10768","10776","10.1039/d3sc03239f","","","0.71073","MoKα","","0.0444","0.0321","","","0.0658","0.071","","","","","","1.041","","","","has coordinates","287312","2023-11-06","06:57:38",""
"1569833","10.022","0.004","11.611","0.005","30.123","0.013","90","","90","","90","","3505","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H28 Cl3 N O4 S2 -","- C37 H28 Cl3 N O4 S2 -","- C148 H112 Cl12 N4 O16 S8 -","4","1","","Khuntia, Rupkumar; Mahapatra, Sanat Kumar; Roy, Lisa; Chandra Pan, Subhas","Structurally divergent enantioselective synthesis of benzofuran fused azocine derivatives and spiro-cyclopentanone benzofurans enabled by sequential catalysis.","Chemical science","2023","14","39","10768","10776","10.1039/d3sc03239f","","","0.71073","MoKα","","0.0935","0.077","","","0.2148","0.2402","","","","","","1.008","","","","has coordinates","287312","2023-11-06","06:57:41",""
"1569834","26.5817","0.0007","14.4781","0.0002","24.2574","0.0008","90","","115.367","0.003","90","","8435.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H114 Mo9 N3 O34 P -","- C52 H114 Mo9 N3 O34 P -","- C208 H456 Mo36 N12 O136 P4 -","4","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Ushiyama, Tomoki; Yamaguchi, Kazuya; Suzuki, Kosuke","Molecular hybrids of trivacant lacunary polyoxomolybdate and multidentate organic ligands.","Chemical science","2023","14","37","10280","10284","10.1039/d3sc03713d","","","0.71073","MoKα","","0.0963","0.0798","","","0.202","0.2115","","","","","","1.056","","","","has coordinates","286700","2023-10-05","23:44:16",""
"1569835","27.4763","0.0004","21.2915","0.0003","17.3843","0.0003","90","","105.576","0.0015","90","","9796.5","0.3","93","2","93","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C66 H126 Cu Mo9 N5 O39 P3 -","- C66 H126 Cu Mo9 N5 O39 P3 -","- C264 H504 Cu4 Mo36 N20 O156 P12 -","4","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Ushiyama, Tomoki; Yamaguchi, Kazuya; Suzuki, Kosuke","Molecular hybrids of trivacant lacunary polyoxomolybdate and multidentate organic ligands.","Chemical science","2023","14","37","10280","10284","10.1039/d3sc03713d","","","0.71073","MoKα","","0.0412","0.0381","","","0.1002","0.1024","","","","","","1.058","","","","has coordinates","286700","2023-10-05","23:44:16",""
"1569836","27.5817","0.0004","21.2628","0.0003","17.231","0.0003","90","","105.719","0.0018","90","","9727.4","0.3","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C65 H123 Mo9 N4 O37 P3 -","- C65 H123 Mo9 N4 O37 P3 -","- C260 H492 Mo36 N16 O148 P12 -","4","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Ushiyama, Tomoki; Yamaguchi, Kazuya; Suzuki, Kosuke","Molecular hybrids of trivacant lacunary polyoxomolybdate and multidentate organic ligands.","Chemical science","2023","14","37","10280","10284","10.1039/d3sc03713d","","","0.71073","MoKα","","0.0572","0.0465","","","0.1105","0.1155","","","","","","1.048","","","","has coordinates","286700","2023-10-05","23:44:16",""
"1569837","14.2945","0.0002","24.5625","0.0004","29.1153","0.0005","111.653","0.0015","98.3822","0.0014","95.1863","0.0013","9283.5","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H267 Mo18 N10 O72 P6 -","- C120 H267 Mo18 N10 O72 P6 -","- C240 H534 Mo36 N20 O144 P12 -","2","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Ushiyama, Tomoki; Yamaguchi, Kazuya; Suzuki, Kosuke","Molecular hybrids of trivacant lacunary polyoxomolybdate and multidentate organic ligands.","Chemical science","2023","14","37","10280","10284","10.1039/d3sc03713d","","","0.71073","MoKα","","0.1524","0.0775","","","0.1899","0.2217","","","","","","1.05","","","","has coordinates","286700","2023-10-05","23:44:16",""
"1569838","10.8046","0.0004","22.285","0.0007","15.2955","0.0004","90","","92.948","0.001","90","","3678","0.2","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DAP","20,21-dimethyl-20,21-dihydro-9H-dibenzo[a,i]benzo[4,5]indolo[3,2-c]benzo[4,5]indolo[2,3-g]carbazole","","- C50 H43 N3 O2 -","- C50 H43 N3 O2 -","- C200 H172 N12 O8 -","4","1","","Wei, Yuefang; Cai, Yaohang; He, Lifei; Zhang, Yuyan; Yuan, Yi; Zhang, Jing; Wang, Peng","Molecular engineering of nitrogen-rich helicene based organic semiconductors for stable perovskite solar cells.","Chemical science","2023","14","37","10285","10296","10.1039/d3sc02845c","","","0.71073","MoKα","","0.0812","0.0591","","","0.1482","0.1678","","","","","","1.022","","","","has coordinates,has disorder","286705","2023-10-05","23:45:28",""
"1569840","9.5728","0.0006","12.9468","0.0009","18.7278","0.001","90","","90","","90","","2321.1","0.3","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 Cl N O2 P -","- C21 H35 Cl N O2 P -","- C84 H140 Cl4 N4 O8 P4 -","4","1","","Oya, Ryoto; Ota, Kenji; Fuki, Masaaki; Kobori, Yasuhiro; Higashi, Masahiro; Nagao, Kazunori; Ohmiya, Hirohisa","Biomimetic design of an α-ketoacylphosphonium-based light-activated oxygenation auxiliary.","Chemical science","2023","14","38","10488","10493","10.1039/d3sc03572g","","","0.71075","MoKα","","0.0586","0.0502","","","0.1299","0.135","","","","","","1.046","","","","has coordinates","287326","2023-11-06","07:07:19",""
"1569841","13.9731","0.0005","16.3251","0.0005","37.9097","0.0013","90","","90","","90","","8647.7","0.5","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H63 Cl Fe N7 O4 -","- C43 H63 Cl Fe N7 O4 -","- C344 H504 Cl8 Fe8 N56 O32 -","8","1","","Jana, Sandipan; De, Puja; Dey, Chinmay; Dey, Somdatta Ghosh; Dey, Abhishek; Gupta, Sayam Sen","Highly regioselective oxidation of C-H bonds in water using hydrogen peroxide by a cytochrome P450 mimicking iron complex.","Chemical science","2023","14","38","10515","10523","10.1039/d3sc03495j","","","0.71073","MoKα","","0.0389","0.0355","","","0.0911","0.0929","","","","","","1.082","","","","has coordinates","287324","2023-11-06","07:04:04",""
"1569842","11.9001","0.0002","19.1517","0.0003","10.5986","0.0001","90","","102.996","0.002","90","","2353.63","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N5 O4 -","- C27 H27 N5 O4 -","- C108 H108 N20 O16 -","4","1","","Jana, Sandipan; De, Puja; Dey, Chinmay; Dey, Somdatta Ghosh; Dey, Abhishek; Gupta, Sayam Sen","Highly regioselective oxidation of C-H bonds in water using hydrogen peroxide by a cytochrome P450 mimicking iron complex.","Chemical science","2023","14","38","10515","10523","10.1039/d3sc03495j","","","1.54184","CuKα","","0.0704","0.0621","","","0.1674","0.1758","","","","","","1.059","","","","has coordinates","287324","2023-11-06","07:04:06",""
"1569843","9.6155","0.0002","15.4439","0.0004","15.4444","0.0004","90","","93.615","0.001","90","","2288.94","0.1","154","2","154","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 F6 O4 P2 -","- C16 H36 F6 O4 P2 -","- C64 H144 F24 O16 P8 -","4","1","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.063","0.0388","","","0.0794","0.0899","","","","","","1.017","","","","has coordinates","286703","2023-10-05","23:44:46",""
"1569844","11.1743","0.0008","23.349","0.002","9.9798","0.0006","90","","90","","90","","2603.8","0.3","143","2","143","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C20 H44 F6 P2 -","- C20 H44 F6 P2 -","- C80 H176 F24 P8 -","4","0.25","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.0736","0.0423","","","0.0889","0.1018","","","","","","1.053","","","","has coordinates,has disorder","286703","2023-10-05","23:44:46",""
"1569845","22.679","0.0012","5.6876","0.0003","8.1653","0.0004","90","","99.864","0.005","90","","1037.66","0.09","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H36 Br O4 P -","- C16 H36 Br O4 P -","- C32 H72 Br2 O8 P2 -","2","0.5","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.0219","0.0205","","","0.0471","0.0479","","","","","","1.045","","","","has coordinates","286703","2023-10-05","23:44:46",""
"1569846","23.535","0.004","10.8949","0.0017","9.5632","0.0015","90","","90","","90","","2452.1","0.7","143","2","143","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H44 B F4 P -","- C20 H44 B F4 P -","- C80 H176 B4 F16 P4 -","4","0.5","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.0907","0.0679","","","0.1367","0.1476","","","","","","1.219","","","","has coordinates,has disorder","286703","2023-10-05","23:44:46",""
"1569847","11.605","0.002","14.647","0.003","13.946","0.003","90","","91.312","0.006","90","","2369.9","0.8","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Br P -","- C20 H44 Br P -","- C80 H176 Br4 P4 -","4","1","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.1077","0.0598","","","0.1481","0.1779","","","","","","1.028","","","","has coordinates,has disorder","286703","2023-10-05","23:44:46",""
"1569855","10.8467","0.0003","15.6202","0.0004","18.4959","0.0004","65.623","0.002","86.626","0.002","86.202","0.002","2846.36","0.13","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C121 H176 N8 P4 -","- C121 H176 N8 P4 -","- C121 H176 N8 P4 -","1","0.5","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable E,Z-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","x-ray","0.71073","MoKα","","0.0702","0.0488","","","0.1201","0.1307","","","","","","1.03","","","","has coordinates,has disorder","287309","2023-11-06","06:56:09",""
"1569856","12.9163","0.0017","14.6645","0.001","31.89","0.003","90","","100.295","0.013","90","","5943.1","1.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H88 N4 P2 -","- C62 H88 N4 P2 -","- C248 H352 N16 P8 -","4","1","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable E,Z-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","x-ray","0.71073","MoKα","","0.087","0.055","","","0.14","0.1557","","","","","","1.041","","","","has coordinates","287309","2023-11-06","06:56:11",""
"1569857","10.7687","0.0005","13.0866","0.0005","36.6199","0.0017","90","","94.36","0.004","90","","5145.7","0.4","151","1","151","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H78 N4 P2 -","- C56 H78 N4 P2 -","- C224 H312 N16 P8 -","4","1","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable E,Z-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","x-ray","0.71073","MoKα","","0.0792","0.0519","","","0.1109","0.1186","","","","","","1.014","","","","has coordinates","287309","2023-11-06","06:56:12",""
"1569858","12.1506","0.0007","26.0299","0.0016","21.381","0.0014","90","","93.965","0.003","90","","6746.2","0.7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C129 H197 N8 P4 Si2 -","- C129 H197 N8 P4 Si2 -","- C258 H394 N16 P8 Si4 -","2","0.5","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable E,Z-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","","0.71073","MoKα","","0.1343","0.0985","","","0.2662","0.2909","","","","","","1.059","","","","has coordinates,has disorder","287309","2023-11-06","06:56:12",""
"1569859","10.9009","0.0006","20.4655","0.0012","26.2304","0.0011","108.695","0.005","90.684","0.004","97.49","0.005","5486.8","0.5","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H78 N4 P2 -","- C56 H78 N4 P2 -","- C224 H312 N16 P8 -","4","2","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable E,Z-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","x-ray","0.71073","MoKα","","0.1833","0.0728","","","0.1639","0.203","","","","","","0.949","","","","has coordinates","287309","2023-11-06","06:56:12",""
"1569860","13.8709","0.0009","20.0194","0.0014","23.2162","0.0014","90","","98.502","0.006","90","","6376","0.7","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H87 Au Cl F2 N4 P2 -","- C68 H87 Au Cl F2 N4 P2 -","- C272 H348 Au4 Cl4 F8 N16 P8 -","4","1","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable E,Z-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","x-ray","0.71073","MoKα","","0.0885","0.0447","","","0.0984","0.1146","","","","","","1.007","","","","has coordinates,has disorder","287309","2023-11-06","06:56:12",""
"1569868","5.2532","0.0003","5.2532","0.0003","22.6462","0.0016","90","","90","","90","","624.95","0.07","120.02","","120.02","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C5 H4 N O3 W -","- C5 H4 N O3 W -","- C20 H16 N4 O12 W4 -","4","0.125","","Dayaratne, W Lakna N; Torres-Cadena, Raúl; Schmitt, Bennett P.; Westrick, Emma M.; Jaffe, Adam","Hybrid bronzes: mixed-valence organic-inorganic metal oxides as a tunable material platform.","Chemical science","2023","14","39","10756","10767","10.1039/d3sc03828a","","","0.71073","MoKα","","0.016","0.0128","","","0.0323","0.0327","","","","","","1.229","","","","has coordinates","287307","2023-11-06","06:51:14",""
"1569869","5.2479","0.0007","5.2479","0.0007","14.143","0.003","90","","90","","90","","389.5","0.11","120","","120","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C2 H2 Mo N O3 -","- C2 H2 Mo N O3 -","- C8 H8 Mo4 N4 O12 -","4","0.125","","Dayaratne, W Lakna N; Torres-Cadena, Raúl; Schmitt, Bennett P.; Westrick, Emma M.; Jaffe, Adam","Hybrid bronzes: mixed-valence organic-inorganic metal oxides as a tunable material platform.","Chemical science","2023","14","39","10756","10767","10.1039/d3sc03828a","","","0.71073","MoKα","","0.0185","0.0181","","","0.0556","0.0559","","","","","","1.39","","","","has coordinates","287307","2023-11-06","06:51:17",""
"1569870","7.522","0.003","7.375","0.003","25.795","0.011","90","","90","","90","","1431","1","120.01","","120.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 Mo N2 O3 -","- C5 H4 Mo N2 O3 -","- C40 H32 Mo8 N16 O24 -","8","1","","Dayaratne, W Lakna N; Torres-Cadena, Raúl; Schmitt, Bennett P.; Westrick, Emma M.; Jaffe, Adam","Hybrid bronzes: mixed-valence organic-inorganic metal oxides as a tunable material platform.","Chemical science","2023","14","39","10756","10767","10.1039/d3sc03828a","","","0.71073","MoKα","","0.0969","0.0814","","","0.1693","0.1753","","","","","","1.211","","","","has coordinates","287307","2023-11-06","06:51:17",""
"1569871","9.3698","0.0001","42.8233","0.0003","10.2352","0.0001","90","","103.371","0.001","90","","3995.51","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H62 B O P -","- C45 H62 B O P -","- C180 H248 B4 O4 P4 -","4","1","","Sindlinger, Marvin; Ströbele, Markus; Grunenberg, Jörg; Bettinger, Holger F.","Accessing unusual heterocycles: ring expansion of benzoborirenes by formal cycloaddition reactions.","Chemical science","2023","14","38","10478","10487","10.1039/d3sc03433j","","x-ray","1.54184","CuKα","","0.0257","0.023","","","0.0545","0.0557","","","","","","1.0991","","","","has coordinates","287325","2023-11-06","07:06:47",""
"1569872","21.8427","0.0002","10.7386","0.0001","22.3596","0.0002","90","","99.87","0.001","90","","5167.04","0.08","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H79 B N2 -","- C59 H79 B N2 -","- C236 H316 B4 N8 -","4","1","","Sindlinger, Marvin; Ströbele, Markus; Grunenberg, Jörg; Bettinger, Holger F.","Accessing unusual heterocycles: ring expansion of benzoborirenes by formal cycloaddition reactions.","Chemical science","2023","14","38","10478","10487","10.1039/d3sc03433j","","x-ray","1.54184","CuKα","","0.0513","0.0498","","","0.1368","0.1381","","","","","","1.014","","","","has coordinates,has disorder","287325","2023-11-06","07:06:49",""
"1569873","13.0778","0.0001","16.2591","0.0001","18.6511","0.0002","90","","109.678","0.001","90","","3734.24","0.06","149.99","0.11","149.99","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H57 B O -","- C44 H57 B O -","- C176 H228 B4 O4 -","4","1","","Sindlinger, Marvin; Ströbele, Markus; Grunenberg, Jörg; Bettinger, Holger F.","Accessing unusual heterocycles: ring expansion of benzoborirenes by formal cycloaddition reactions.","Chemical science","2023","14","38","10478","10487","10.1039/d3sc03433j","","x-ray","1.54184","CuKα","","0.0173","0.0158","","","0.0343","0.0349","","","","","","1.1036","","","","has coordinates","287325","2023-11-06","07:06:59",""
"1569874","10.8013","0.0006","11.3081","0.0007","12.0889","0.0007","84.885","0.002","74.87","0.002","72.103","0.002","1356.34","0.14","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 N2 O2 -","- C32 H40 N2 O2 -","- C64 H80 N4 O4 -","2","1","","Luo, Xiao; Zhang, Zhonghui; Wang, Jie; Wang, Xueli; Zhang, Yani; Chen, Jinquan; Ge, Guangbo; Yang, Wen; Qian, Xuhong; Tian, Yang; Yang, Youjun","Acyl-caged rhodamines: photo-controlled and self-calibrated generation of acetyl radicals for neural function recovery in early AD mice.","Chemical science","2023","14","42","11689","11698","10.1039/d3sc03035k","","","0.71073","MoKα","","0.0569","0.0494","","","0.1293","0.1363","","","","","","1.038","","","","has coordinates,has disorder","287301","2023-11-06","06:47:46",""
"1569875","7.6372","0.0005","9.3281","0.0006","18.7886","0.0012","84.927","0.002","82.985","0.002","69.699","0.002","1244.44","0.14","298","","298","","","","","","","","","4","P -1","-P 1","2","","lji","","- C29 H34 N2 O2 -","- C29 H34 N2 O2 -","- C58 H68 N4 O4 -","2","1","","Luo, Xiao; Zhang, Zhonghui; Wang, Jie; Wang, Xueli; Zhang, Yani; Chen, Jinquan; Ge, Guangbo; Yang, Wen; Qian, Xuhong; Tian, Yang; Yang, Youjun","Acyl-caged rhodamines: photo-controlled and self-calibrated generation of acetyl radicals for neural function recovery in early AD mice.","Chemical science","2023","14","42","11689","11698","10.1039/d3sc03035k","","","0.71073","MoKα","","0.2011","0.109","","","0.2096","0.244","","","","","","1.134","","","","has coordinates","287301","2023-11-06","06:47:52",""
"1569876","19.1013","0.0006","11.5155","0.0003","19.3079","0.0006","90","","105.893","0.001","90","","4084.6","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 F18 N4 O2 Si -","- C43 H30 F18 N4 O2 Si -","- C172 H120 F72 N16 O8 Si4 -","4","1","","Thorwart, Thaddäus; Greb, Lutz","Reversible C-H bond silylation with a neutral silicon Lewis acid.","Chemical science","2023","14","40","11237","11242","10.1039/d3sc03488g","","","0.71073","MoKα","","0.0456","0.0425","","","0.1074","0.1099","","","","","","1.027","","","","has coordinates","287316","2023-11-06","06:59:44",""
"1569877","10.3174","0.0004","18.845","0.0007","10.3316","0.0004","90","","103.056","0.007","90","","1956.86","0.14","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes via reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","0.0433","0.0406","","","0.1064","0.1085","","","","","","1.044","","","","has coordinates","287311","2023-11-06","06:56:50",""
"1569878","11.2867","0.0014","7.6954","0.0009","11.8213","0.0014","90","","98.725","0.007","90","","1014.9","0.2","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C52 H44 N4 O4 -","2","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes via reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","0.1934","0.0904","","","0.2204","0.273","","","","","","0.991","","","","has coordinates","287311","2023-11-06","06:56:53",""
"1569879","10.1061","0.0011","14.109","0.0014","14.8443","0.0015","85.453","0.006","83.081","0.006","74.047","0.005","2017.9","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H27 Cl3 F12 N2 O2 -","- C45 H27 Cl3 F12 N2 O2 -","- C90 H54 Cl6 F24 N4 O4 -","2","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes via reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","","0.1132","","","","0.3232","","","","","","1.001","","","","has coordinates","287311","2023-11-06","06:56:56",""
"1569880","9.0396","0.0015","21.882","0.004","10.4133","0.0018","90","","97.221","0.004","90","","2043.5","0.6","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes via reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","0.71075","MoKα","","0.0706","0.0524","","","0.1122","0.1152","","","","","","0.824","","","","has coordinates","287311","2023-11-06","06:57:00",""
"1569881","21.2877","0.0005","9.84","0.0002","27.3069","0.0006","90","","90","","90","","5720","0.2","123","","123","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C72 H70 N4 O4 Rh2 -","- C72 H70 N4 O4 Rh2 -","- C288 H280 N16 O16 Rh8 -","4","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes via reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","0.0728","0.057","","","0.1241","0.1341","","","","","","1.029","","","","has coordinates","287311","2023-11-06","06:57:03",""
"1569882","17.6227","0.0004","18.3009","0.0004","18.5577","0.0004","90","","90","","90","","5985.1","0.2","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H37 N2 O2 Rh -","- C37 H37 N2 O2 Rh -","- C296 H296 N16 O16 Rh8 -","8","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes via reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","0.0632","0.0511","","","0.1171","0.1233","","","","","","1.115","","","","has coordinates","287311","2023-11-06","06:57:13",""
"1569903","11.1245","0.0004","10.5529","0.0003","13.5415","0.0005","90","","107.914","0.002","90","","1512.64","0.09","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H28 N2 O3 -","- C39 H28 N2 O3 -","- C78 H56 N4 O6 -","2","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes via vinylogous activation of Pd0-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","1.54178","CuKα","","0.0355","0.0318","","","0.0838","0.0866","","","","","","1.04","","","","has coordinates","287308","2023-11-06","06:51:33",""
"1569904","32.1431","0.0008","7.189","0.0002","11.8007","0.0003","90","","98.963","0.002","90","","2693.57","0.12","302","2","302","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C58 H44 N2 O8 S2 -","- C58 H44 N2 O8 S2 -","- C116 H88 N4 O16 S4 -","2","0.5","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes via vinylogous activation of Pd0-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.0554","0.0425","","","0.1046","0.1151","","","","","","1.066","","","","has coordinates","287308","2023-11-06","06:51:36",""
"1569905","13.2537","0.0004","8.0062","0.0002","15.7406","0.0005","90","","94.626","0.001","90","","1664.82","0.08","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H25 Cl3 N2 O4 -","- C37 H25 Cl3 N2 O4 -","- C74 H50 Cl6 N4 O8 -","2","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes via vinylogous activation of Pd0-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.1003","0.0667","","","0.1763","0.2034","","","","","","1.036","","","","has coordinates","287308","2023-11-06","06:51:46",""
"1569906","10.1003","0.0004","15.1715","0.0005","13.9176","0.0005","90","","101.792","0.002","90","","2087.68","0.13","184","2","184","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H38 N4 O8 S4 -","- C40 H38.424 N4 O8 S4 -","- C80 H76.848 N8 O16 S8 -","2","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes via vinylogous activation of Pd0-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.0789","0.0537","","","0.1156","0.1273","","","","","","1.03","","","","has coordinates,has disorder","287308","2023-11-06","06:51:48",""
"1569907","10.038","0.0005","12.1514","0.0006","12.3554","0.0007","77.395","0.002","67.131","0.002","85.909","0.002","1354.98","0.12","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H23 F3 N2 O3 -","- C34 H23 F3 N2 O3 -","- C68 H46 F6 N4 O6 -","2","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes via vinylogous activation of Pd0-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.0971","0.0525","","","0.1142","0.1319","","","","","","1.03","","","","has coordinates","287308","2023-11-06","06:51:51",""
"1569908","9.253","0.0005","9.3566","0.0005","9.9037","0.0006","106.668","0.002","101.698","0.002","117.979","0.002","665.24","0.07","302","2","302","","","","","","","","","6","P 1","P 1","1","","","","- C32 H27 F N2 O3 S -","- C32 H27 F N2 O3 S -","- C32 H27 F N2 O3 S -","1","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes via vinylogous activation of Pd0-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.0504","0.0386","","","0.0881","0.0941","","","","","","1.038","","","","has coordinates","287308","2023-11-06","06:51:51",""
"1569912","15.5976","0.0013","17.2486","0.0014","19.3869","0.0016","90","","90","","90","","5215.8","0.7","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C60 H80 Li2 O7 -","- C60 H80 Li2 O7 -","- C240 H320 Li8 O28 -","4","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.0581","0.0502","","","0.1397","0.1425","","","","","","1.081","","","","has coordinates,has disorder","288757","2024-01-06","07:28:11",""
"1569913","8.8122","0.0003","26.5491","0.0008","20.9892","0.0007","90","","92.896","0.001","90","","4904.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 Na2 O6 -","- C56 H72 Na2 O6 -","- C224 H288 Na8 O24 -","4","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.0809","0.0575","","","0.1456","0.1609","","","","","","1.018","","","","has coordinates,has disorder","288757","2024-01-06","07:28:12",""
"1569914","17.8448","0.0005","16.1337","0.0004","18.5018","0.0005","90","","90.328","0.001","90","","5326.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H80 Na2 O7 -","- C60 H80 Na2 O7 -","- C240 H320 Na8 O28 -","4","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.0537","0.0396","","","0.1146","0.1252","","","","","","1.038","","","","has coordinates,has disorder","288757","2024-01-06","07:28:12",""
"1569915","12.0087","0.0015","12.8316","0.0016","19.699","0.003","89.457","0.002","89.629","0.001","76.211","0.002","2947.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H88 Li4 O8 -","- C64 H88 Li4 O8 -","- C128 H176 Li8 O16 -","2","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.1205","0.0889","","","0.2372","0.2628","","","","","","1.047","","","","has coordinates,has disorder","288757","2024-01-06","07:28:12",""
"1569916","21.9901","0.0008","18.2207","0.0006","20.0657","0.0007","90","","114.112","0.001","90","","7338.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75.31 H111.31 K2 N4 O13.31 -","- C75.308 H111.308 K2 N4 O13.308 -","- C301.232 H445.232 K8 N16 O53.232 -","4","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.0619","0.0471","","","0.1339","0.1426","","","","","","1.063","","","","has coordinates,has disorder","288757","2024-01-06","07:28:12",""
"1569917","12.0529","0.0008","15.8788","0.0011","20.3203","0.0014","87.647","0.002","76.921","0.001","74.718","0.001","3653.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H112 Na2 O17 -","- C72 H104 Na2 O16 -","- C144 H208 Na4 O32 -","2","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.1146","0.0875","","","0.2529","0.2846","","","","","","1.04","","","","has coordinates,has disorder","288757","2024-01-06","07:28:12",""
"1569918","18.7021","0.0011","34.941","0.002","26.6821","0.0018","90","","104.779","0.003","90","","16859.1","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.08 H27.08 Cl9.23 N2 O4 -","- C43.0765 H27.0765 Cl9.2295 N2 O4 -","- C689.224 H433.224 Cl147.672 N32 O64 -","16","2","","Spengler, Jonas; Zhu, Chongwei; Shoyama, Kazutaka; Würthner, Frank","π-Extended benzo[1,2:4,5]di[7]annulene bis(dicarboximide)s - a new class of non-alternant polycyclic aromatic dicarboximides.","Chemical science","2023","14","39","10861","10866","10.1039/d3sc04015a","","","1.54178","CuKα","","0.0985","0.0796","","","0.2103","0.2312","","","","","","1.023","","","","has coordinates,has disorder","287310","2023-11-06","06:56:28",""
"1569919","5.8154","0.0007","17.4","0.002","23.776","0.003","90","","90","","90","","2405.8","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Br2 N2 O2 S -","- C26 H24 Br2 N2 O2 S -","- C104 H96 Br8 N8 O8 S4 -","4","1","","Luo, Pengfei; Li, Long; Mao, Xinfang; Sun, Zheng; Wang, Yingcheng; Peng, Fangzhi; Shao, Zhihui","Chemodivergence in Pd-catalyzed desymmetrization of allenes: enantioselective [4+3] cycloaddition, desymmetric allenylic substitution and enynylation.","Chemical science","2023","14","39","10812","10823","10.1039/d3sc04581a","","x-ray","0.71073","MoKα","","0.0661","0.0472","","","0.1101","0.1185","","","","","","1.039","","","","has coordinates","287306","2023-11-06","06:51:02",""
"1569920","6.0455","0.0001","15.2328","0.0003","25.3404","0.0005","90","","90","","90","","2333.59","0.08","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O5 S -","- C26 H25 N O5 S -","- C104 H100 N4 O20 S4 -","4","1","","Luo, Pengfei; Li, Long; Mao, Xinfang; Sun, Zheng; Wang, Yingcheng; Peng, Fangzhi; Shao, Zhihui","Chemodivergence in Pd-catalyzed desymmetrization of allenes: enantioselective [4+3] cycloaddition, desymmetric allenylic substitution and enynylation.","Chemical science","2023","14","39","10812","10823","10.1039/d3sc04581a","","","1.54178","CuKα","","0.0406","0.0366","","","0.0922","0.0954","","","","","","1.047","","","","has coordinates,has disorder","287306","2023-11-06","06:51:02",""
"1569921","8.0066","0.0003","14.474","0.0006","19.8606","0.0008","90","","90","","90","","2301.6","0.16","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 F6 N O3 S -","- C25 H17 F6 N O3 S -","- C100 H68 F24 N4 O12 S4 -","4","1","","Luo, Pengfei; Li, Long; Mao, Xinfang; Sun, Zheng; Wang, Yingcheng; Peng, Fangzhi; Shao, Zhihui","Chemodivergence in Pd-catalyzed desymmetrization of allenes: enantioselective [4+3] cycloaddition, desymmetric allenylic substitution and enynylation.","Chemical science","2023","14","39","10812","10823","10.1039/d3sc04581a","","x-ray","0.71073","MoKα","","0.0324","0.0298","","","0.07","0.0717","","","","","","1.039","","","","has coordinates","287306","2023-11-06","06:51:02",""
"1569922","14.97514","0.00011","11.89935","0.00009","19.33172","0.00015","90","","98.9295","0.0007","90","","3403.05","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 Cl2 N O Ru -","- C37 H49 Cl2 N O Ru -","- C148 H196 Cl8 N4 O4 Ru4 -","4","1","","Sytniczuk, Adrian; Struzik, Filip; Grela, Karol; Kajetanowicz, Anna","A tunable family of CAAC-ruthenium olefin metathesis catalysts modularly derived from a large-scale produced ibuprofen intermediate.","Chemical science","2023","14","39","10744","10755","10.1039/d3sc03849a","","x-ray","1.54184","CuKα","","0.0313","0.0302","","","0.0762","0.077","","","","","","1.032","","","","has coordinates","287315","2023-11-06","06:58:41",""
"1569923","9.86","0.002","9.92","0.002","18.12","0.004","81.9","0.03","84.7","0.03","67.4","0.03","1618.5","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H43 Cl2 Ga N P Si -","- C31 H43 Cl2 Ga N P Si -","- C62 H86 Cl4 Ga2 N2 P2 Si2 -","2","1","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.0444","0.0346","","","0.0929","0.097","","","","","","1.074","","","","has coordinates","287318","2023-11-06","07:01:00",""
"1569924","10.009","0.002","10.011","0.002","18.111","0.004","85.2","0.03","82.22","0.03","67.29","0.03","1657.6","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H49 Ga N P Si -","- C33 H49 Ga N P Si -","- C66 H98 Ga2 N2 P2 Si2 -","2","1","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.0404","0.0295","","","0.0727","0.0765","","","","","","1.032","","","","has coordinates","287318","2023-11-06","07:01:03",""
"1569925","23.09","0.005","27.34","0.006","22.52","0.005","90","","111.9","0.03","90","","13191","6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C128 H182 Cl4 Ga4 N4 O P4 Si4 -","- C128 H182 Cl4 Ga4 N4 O P4 Si4 -","- C512 H728 Cl16 Ga16 N16 O4 P16 Si16 -","4","1","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.1432","0.0523","","","0.1012","0.123","","","","","","0.877","","","","has coordinates","287318","2023-11-06","07:01:12",""
"1569926","15.714","0.003","22.937","0.005","20.691","0.004","90","","90","","90","","7458","3","150","2","150","2","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C62 H86 Cl2 Ga2 N2 P2 Pd Si2 -","- C62 H86 Cl2 Ga2 N2 P2 Pd Si2 -","- C248 H344 Cl8 Ga8 N8 P8 Pd4 Si8 -","4","0.5","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.0485","0.0354","","","0.0886","0.094","","","","","","1.06","","","","has coordinates","287318","2023-11-06","07:01:14",""
"1569927","15.629","0.003","22.82","0.005","20.425","0.004","90","","90","","90","","7285","3","150","2","150","2","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C71 H106 Cl2 Ga2 N2 Ni P2 Si2 -","- C71 H106 Cl2 Ga2 N2 Ni P2 Si2 -","- C284 H424 Cl8 Ga8 N8 Ni4 P8 Si8 -","4","0.5","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.1045","0.0489","","","0.1192","0.1382","","","","","","0.971","","","","has coordinates","287318","2023-11-06","07:01:15",""
"1569928","25.06","0.005","15.84","0.003","39.86","0.008","90","","106.5","0.03","90","","15171","6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H98 Ga2 N2 Ni2 P2 Si2 -","- C70 H98 Ga2 N2 Ni2 P2 Si2 -","- C560 H784 Ga16 N16 Ni16 P16 Si16 -","8","1","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.0555","0.0357","","","0.0928","0.1006","","","","","","0.97","","","","has coordinates","287318","2023-11-06","07:01:15",""
"1569936","25.288","0.003","27.896","0.004","41.288","0.002","90.71","0.04","99.819","0.001","116.18","0.001","25628","5","100","","100","","","","","","","","","6","P -1","-P 1","2","double helical capsule","","","- C159 H108.5 Ca N29 O62.5 S6 -","- C159 H108.5 Ca N29 O62.5 S6 -","- C636 H434 Ca4 N116 O250 S24 -","4","2","","Teng, Binhao; Mandal, Pradeep K.; Allmendinger, Lars; Douat, Céline; Ferrand, Yann; Huc, Ivan","Controlling aromatic helix dimerization in water by tuning charge repulsions.","Chemical science","2023","14","40","11251","11260","10.1039/d3sc02020g","","","0.9184","Synchrotron","","0.1527","0.1361","","","0.4112","0.4398","","","","","","1.909","","","","has coordinates","287322","2023-11-06","07:02:13",""
"1569937","13.2324","0.0006","9.0288","0.0004","19.0515","0.0009","90","","96.874","0.002","90","","2259.77","0.18","295","2","294.8","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O2 S -","- C27 H21 N O2 S -","- C108 H84 N4 O8 S4 -","4","1","","Zhang, Xiang-Xin; Zheng, Hao; Mei, Yong-Kang; Liu, Yan; Liu, Ying-Ying; Ji, Ding-Wei; Wan, Boshun; Chen, Qing-An","Photo-induced imino functionalizations of alkenes via intermolecular charge transfer.","Chemical science","2023","14","40","11170","11179","10.1039/d3sc03667g","","","0.71073","MoKα","","0.0765","0.0439","","","0.1144","0.1393","","","","","","0.901","","","","has coordinates","287320","2023-11-06","07:01:53",""
"1569938","14.8707","0.0009","9.3692","0.0005","17.0525","0.001","90","","107.269","0.007","90","","2268.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O2 S -","- C28 H23 N O2 S -","- C112 H92 N4 O8 S4 -","4","1","","Zhang, Xiang-Xin; Zheng, Hao; Mei, Yong-Kang; Liu, Yan; Liu, Ying-Ying; Ji, Ding-Wei; Wan, Boshun; Chen, Qing-An","Photo-induced imino functionalizations of alkenes via intermolecular charge transfer.","Chemical science","2023","14","40","11170","11179","10.1039/d3sc03667g","","","1.54178","CuKα","","0.0797","0.063","","","0.1698","0.1884","","","","","","1.066","","","","has coordinates","287320","2023-11-06","07:01:53",""
"1569939","13.7117","0.0003","9.235","0.0002","18.8993","0.0004","90","","100.434","0.001","90","","2353.6","0.09","299","2","299.5","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O3 S -","- C28 H25 N O3 S -","- C112 H100 N4 O12 S4 -","4","1","","Zhang, Xiang-Xin; Zheng, Hao; Mei, Yong-Kang; Liu, Yan; Liu, Ying-Ying; Ji, Ding-Wei; Wan, Boshun; Chen, Qing-An","Photo-induced imino functionalizations of alkenes via intermolecular charge transfer.","Chemical science","2023","14","40","11170","11179","10.1039/d3sc03667g","","","1.54178","CuKα","","0.0688","0.0512","","","0.1459","0.1641","","","","","","1.132","","","","has coordinates","287320","2023-11-06","07:01:53",""
"1569940","12.7617","0.0006","21.2431","0.001","9.2655","0.0004","90","","100.383","0.004","90","","2470.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N O3 S -","- C29 H27 N O3 S -","- C116 H108 N4 O12 S4 -","4","1","","Zhang, Xiang-Xin; Zheng, Hao; Mei, Yong-Kang; Liu, Yan; Liu, Ying-Ying; Ji, Ding-Wei; Wan, Boshun; Chen, Qing-An","Photo-induced imino functionalizations of alkenes via intermolecular charge transfer.","Chemical science","2023","14","40","11170","11179","10.1039/d3sc03667g","","","1.54178","CuKα","","0.0573","0.0454","","","0.119","0.1303","","","","","","1.038","","","","has coordinates","287320","2023-11-06","07:01:53",""
"1569941","10.274","0.002","11.716","0.004","14.422","0.004","90","","90","","90","","1736","0.8","124","","124","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F3 N O3 S -","- C18 H16 F3 N O3 S -","- C72 H64 F12 N4 O12 S4 -","4","1","","Dethe, Dattatraya H.; Kumar, Vimlesh; Shukla, Manmohan","A palladium catalyzed asymmetric desymmetrization approach to enantioenriched 1,3-disubstituted isoindolines.","Chemical science","2023","14","40","11267","11272","10.1039/d3sc03496h","","x-ray","1.54178","CuKα","","0.0318","0.0317","","","0.0847","0.0848","","","","","","1.063","","","","has coordinates","287321","2023-11-06","07:02:00",""
"1569942","9.4122","0.0004","15.2241","0.0006","24.3198","0.0009","90","","90","","90","","3484.8","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H43 B F4 N4 -","- C37 H43 B F4 N4 -","- C148 H172 B4 F16 N16 -","4","1","","Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H.","Broadening the catalytic region from the cavity to windows by M6L12 nanospheres in cyclizations.","Chemical science","2023","14","42","11699","11707","10.1039/d3sc02998k","","","0.71073","MoKα","","0.0771","0.0639","","","0.1631","0.1706","","","","","","1.213","","","","has coordinates","287303","2023-11-06","06:48:44",""
"1569943","9.279","0.0004","15.5601","0.0006","24.1767","0.001","90","","90","","90","","3490.7","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 Au Cl N4 -","- C37 H42 Au Cl N4 -","- C148 H168 Au4 Cl4 N16 -","4","1","","Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H.","Broadening the catalytic region from the cavity to windows by M6L12 nanospheres in cyclizations.","Chemical science","2023","14","42","11699","11707","10.1039/d3sc02998k","","","0.71073","MoKα","","0.0593","0.0584","","","0.1784","0.1795","","","","","","1.056","","","","has coordinates","287303","2023-11-06","06:48:50",""
"1569944","30.373","0.003","30.373","0.003","77.172","0.013","90","","90","","120","","61655","13","200","2","200","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C517 H643 Au12 B12 Cl12 F48 N63 O28 Pd6 -","- C517 H486 Au12 B12 Cl12 F48 N63 O28 Pd6 -","- C1551 H1458 Au36 B36 Cl36 F144 N189 O84 Pd18 -","3","0.166667","","Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H.","Broadening the catalytic region from the cavity to windows by M6L12 nanospheres in cyclizations.","Chemical science","2023","14","42","11699","11707","10.1039/d3sc02998k","","","0.71073","MoKα","","0.1278","0.0991","","","0.3268","0.362","","","","","","1.047","","","","has coordinates,has disorder","287303","2023-11-06","06:48:53",""
"1569945","13.915","0.003","13.928","0.002","24.247","0.005","105.027","0.007","96.887","0.007","109.734","0.006","4159.3","1.4","100","2","100","","","","","","","","","7","P 1","P 1","1","","","","- C128 H296 Ce2 Cs2 N32 O4 P8 -","- C64 H148 Ce Cs N16 O2 P4 -","- C128 H296 Ce2 Cs2 N32 O4 P8 -","2","2","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce3+ imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.0588","0.0538","","","0.1284","0.1363","","","","","","1.101","","","","has coordinates,has disorder","287298","2023-11-06","06:47:06",""
"1569946","13.828","0.001","13.9994","0.001","23.9161","0.0017","95.768","0.003","105.731","0.003","108.564","0.003","4135","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C132 H306 Ce2 N32 O5 P8 Rb2 -","- C132 H306 Ce2 N32 O5 P8 Rb2 -","- C132 H306 Ce2 N32 O5 P8 Rb2 -","1","0.5","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce3+ imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.0987","0.0856","","","0.2284","0.2432","","","","","","1.094","","","","has coordinates,has disorder","287298","2023-11-06","06:47:07",""
"1569947","14.1551","0.0007","23.2285","0.0012","22.8762","0.0012","90","","99.179","0.002","90","","7425.4","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H266 Ce2 N32 Na2 O P8 -","- C116 H266 Ce2 N32 Na2 O P8 -","- C232 H532 Ce4 N64 Na4 O2 P16 -","2","0.5","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce3+ imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.0536","0.0446","","","0.1069","0.1145","","","","","","1.036","","","","has coordinates,has disorder","287298","2023-11-06","06:47:07",""
"1569948","28.658","0.006","22.627","0.005","25.312","0.005","90","","115.73","0.03","90","","14786","7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 H266 Ce2 Li2 N32 O P8 -","- C116 H266 Ce2 Li2 N32 O P8 -","- C464 H1064 Ce8 Li8 N128 O4 P32 -","4","1","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce3+ imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.0931","0.0858","","","0.1805","0.1847","","","","","","1.146","","","","has coordinates,has disorder","287298","2023-11-06","06:47:07",""
"1569949","20.5497","0.0014","18.859","0.0012","28.366","0.002","90","","107.014","0.002","90","","10512","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H186 Ce K N16 O13 P4 -","- C84 H186 Ce K N16 O13 P4 -","- C336 H744 Ce4 K4 N64 O52 P16 -","4","1","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce3+ imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.1389","0.1296","","","0.2645","0.2699","","","","","","1.158","","","","has coordinates,has disorder","287298","2023-11-06","06:47:07",""
"1569950","9.7038","0.0004","21.6692","0.0009","18.5069","0.0008","90","","94.236","0.003","90","","3880.9","0.3","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 O9 P3 -","- C45 H39 O9 P3 -","- C180 H156 O36 P12 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0486","0.0398","","","0.1099","0.1134","","","","","","1.066","","","","has coordinates","287297","2023-11-06","06:44:50",""
"1569951","9.5934","0.0004","16.0924","0.0006","16.5046","0.0007","61.503","0.001","88.68","0.002","84.59","0.002","2228.61","0.16","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H49 O11 P3 -","- C51 H49 O11 P3 -","- C102 H98 O22 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.0751","0.0591","","","0.1725","0.1875","","","","","","1.057","","","","has coordinates","287297","2023-11-06","06:44:53",""
"1569952","26.6062","0.0004","26.6062","0.0004","26.6062","0.0004","90","","90","","90","","18834.3","0.5","198","","198","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C81 H96 N3 O9 P3 -","- C81 H96 N3 O9 P3 -","- C648 H768 N24 O72 P24 -","8","0.333333","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0879","0.0866","","","0.2279","0.2307","","","","","","1.043","","","","has coordinates","287297","2023-11-06","06:44:59",""
"1569953","17.3052","0.0012","9.0255","0.001","17.3209","0.0018","90","","119.957","0.002","90","","2343.9","0.4","193","","193","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C53 H55 O13 P3 -","- C53 H55 O13 P3 -","- C106 H110 O26 P6 -","2","0.5","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.1391","0.0848","","","0.2114","0.2581","","","","","","1.048","","","","has coordinates,has disorder","287297","2023-11-06","06:45:10",""
"1569954","9.6814","0.0005","15.7995","0.0011","16.5384","0.0011","61.976","0.002","88.724","0.002","88.902","0.002","2232.5","0.2","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H51 O11 P3 -","- C51 H51 O11 P3 -","- C102 H102 O22 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.0559","0.0483","","","0.1322","0.1382","","","","","","1.056","","","","has coordinates,has disorder","287297","2023-11-06","06:45:12",""
"1569955","9.834","0.0005","16.3677","0.0008","16.5833","0.0008","60.844","0.002","86.001","0.002","87.955","0.003","2325.4","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H53 O10 P3 -","- C53 H53 O10 P3 -","- C106 H106 O20 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0683","0.0456","","","0.1289","0.1358","","","","","","1.069","","","","has coordinates","287297","2023-11-06","06:45:17",""
"1569956","9.3026","0.0002","23.6769","0.0006","31.7445","0.0008","109.593","0.001","96.78","0.002","97.97","0.002","6421.2","0.3","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H63 O12 P3 -","- C72 H63 O12 P3 -","- C288 H252 O48 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0758","0.0635","","","0.1896","0.2017","","","","","","1.071","","","","has coordinates","287297","2023-11-06","06:45:21",""
"1569957","9.4775","0.0004","16.7701","0.0008","17.2391","0.0009","114.852","0.003","90.936","0.003","105.208","0.003","2374","0.2","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H53 O11 P3 -","- C56 H53 O11 P3 -","- C112 H106 O22 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.1423","0.0614","","","0.1372","0.169","","","","","","0.999","","","","has coordinates,has disorder","287297","2023-11-06","06:45:24",""
"1569958","9.7954","0.0004","16.3856","0.0009","26.881","0.0015","90","","94.079","0.002","90","","4303.6","0.4","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cl O11 P3 -","- C48 H44 Cl O11 P3 -","- C192 H176 Cl4 O44 P12 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.1077","0.0717","","","0.1896","0.22","","","","","","1.036","","","","has coordinates","287297","2023-11-06","06:45:35",""
"1569959","9.6266","0.0004","25.9063","0.001","22.4427","0.0009","90","","94.66","0.002","90","","5578.5","0.4","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C65 H63 O13 P3 -","- C65 H63 O13 P3 -","- C260 H252 O52 P12 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0591","0.0486","","","0.1313","0.138","","","","","","1.067","","","","has coordinates,has disorder","287297","2023-11-06","06:45:48",""
"1569960","17.9616","0.0009","18.1401","0.001","19.7987","0.0011","116.041","0.003","91.906","0.003","102.985","0.003","5583.3","0.6","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H67 O11 P3 -","- C63 H67 O11 P3 -","- C252 H268 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0966","0.0617","","","0.1725","0.1824","","","","","","1.014","","","","has coordinates,has disorder","287297","2023-11-06","06:45:51",""
"1569961","10.4445","0.0003","16.552","0.0004","25.2164","0.0006","90","","96.461","0.001","90","","4331.66","0.19","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 O12 P4 -","- C48 H48 O12 P4 -","- C192 H192 O48 P16 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.0703","0.0441","","","0.1114","0.124","","","","","","1.035","","","","has coordinates","287297","2023-11-06","06:46:02",""
"1569962","9.1368","0.0003","11.1106","0.0004","23.2706","0.0007","80.5","0.001","86.409","0.001","76.836","0.001","2267.93","0.13","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H55 O10 P3 -","- C52 H55 O10 P3 -","- C104 H110 O20 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.045","0.041","","","0.1147","0.1182","","","","","","1.03","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569963","8.3298","0.0003","11.7921","0.0006","23.5575","0.001","75.792","0.002","87.279","0.002","77.21","0.002","2187.46","0.17","193","","193","","","","","","","","","4","P 1","P 1","1","","","","- C53 H47 O10 P3 -","- C53 H47 O10 P3 -","- C106 H94 O20 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.061","0.0452","","","0.107","0.1168","","","","","","1.052","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569964","16.1991","0.0003","10.1623","0.0002","28.6677","0.0006","90","","90.624","0.001","90","","4719","0.16","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 O9 P3 -","- C52 H47 O9 P3 -","- C208 H188 O36 P12 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0423","0.0412","","","0.1189","0.1198","","","","","","1.025","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569965","9.4246","0.0016","16.952","0.003","28.583","0.004","88.789","0.005","83.362","0.005","88.235","0.005","4533.1","1.3","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H47 O11 P3 -","- C53 H47 O11 P3 -","- C212 H188 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.1753","0.0823","","","0.1821","0.2475","","","","","","1.025","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569966","9.546","0.0005","14.968","0.0008","16.9529","0.0007","69.511","0.002","76.368","0.002","81.443","0.002","2199.29","0.19","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H47 N2 O9 P3 -","- C51 H47 N2 O9 P3 -","- C102 H94 N4 O18 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.0606","0.0434","","","0.1106","0.1205","","","","","","1.037","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569967","10.5368","0.0003","15.9874","0.0005","16.9175","0.0006","101.345","0.002","106.614","0.001","90.411","0.001","2671.41","0.15","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H51 Cl2 F2 O11 P3 -","- C59 H51 Cl2 F2 O11 P3 -","- C118 H102 Cl4 F4 O22 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.044","0.0413","","","0.1093","0.111","","","","","","1.03","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569968","9.6588","0.0005","16.0406","0.0008","16.414","0.0008","62.242","0.002","89.152","0.002","84.69","0.002","2239.6","0.2","193","","193","","","","","","","","","5","P 1","P 1","1","","","","- C51 H48 N O12 P3 -","- C51 H48 N O12 P3 -","- C102 H96 N2 O24 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0447","0.0423","","","0.1229","0.1256","","","","","","1.079","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569969","8.9718","0.0004","17.5666","0.0008","29.7758","0.0013","90","","90.006","0.002","90","","4692.8","0.4","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H49 Cl2 O11 P3 -","- C51 H49 Cl2 O11 P3 -","- C204 H196 Cl8 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0406","0.0401","","","0.1234","0.1243","","","","","","1.167","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569970","11.0428","0.0002","15.3355","0.0003","16.784","0.0004","93.686","0.001","100.727","0.001","107.398","0.001","2642.99","0.1","193","","193","","","","","","","","","4","P 1","P 1","1","","","","- C61 H59 O11 P3 -","- C61 H59 O11 P3 -","- C122 H118 O22 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0389","0.0365","","","0.1004","0.1026","","","","","","1.054","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569971","22.5584","0.0004","10.1939","0.0002","24.3804","0.0004","90","","116.477","0.001","90","","5018.43","0.16","198","","198","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H63 O11 P3 -","- C55 H63 O11 P3 -","- C220 H252 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0484","0.043","","","0.1158","0.1179","","","","","","1.046","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569972","11.0451","0.0004","15.3389","0.0005","16.7639","0.0006","93.606","0.002","100.717","0.002","107.383","0.002","2641.81","0.16","193","","193","","","","","","","","","4","P 1","P 1","1","","","","- C61 H59 O11 P3 -","- C61 H59 O11 P3 -","- C122 H118 O22 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0331","0.0322","","","0.0872","0.088","","","","","","1.039","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569973","7.3067","0.0002","17.8379","0.0005","18.2695","0.0005","95.467","0.001","92.247","0.001","100.75","0.001","2324.79","0.11","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H45 Br Cl O10 P3 -","- C52 H45 Br Cl O10 P3 -","- C104 H90 Br2 Cl2 O20 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0644","0.0595","","","0.1763","0.181","","","","","","1.042","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569974","21.6584","0.0006","8.6796","0.0003","27.2304","0.0007","90","","93.524","0.001","90","","5109.3","0.3","193.15","","193.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H51 O12 P3 -","- C50 H51 O12 P3 -","- C200 H204 O48 P12 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0434","0.0377","","","0.1025","0.1072","","","","","","1.053","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569975","8.9267","0.0011","17.608","0.002","29.783","0.004","90","","90.035","0.004","90","","4681.3","1","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H49 Cl2 O11 P3 -","- C51 H49 Cl2 O11 P3 -","- C204 H196 Cl8 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.066","0.0649","","","0.1857","0.1873","","","","","","1.036","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569976","22.5745","0.0004","10.2015","0.0002","24.3748","0.0004","90","","116.635","0.001","90","","5017.68","0.16","198","","198","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H63 O11 P3 -","- C55 H63 O11 P3 -","- C220 H252 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0421","0.0402","","","0.1118","0.1137","","","","","","1.053","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569977","17.0351","0.0002","7.02387","0.0001","27.7571","0.0004","90","","90","","90","","3321.2","0.08","100.09","0.1","100.09","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H15 B F2 N4 O -","- C19 H15 B F2 N4 O -","- C152 H120 B8 F16 N32 O8 -","8","1","","Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.","Visible light activated energy storage in solid-state Azo-BF2 switches.","Chemical science","2023","14","41","11359","11364","10.1039/d3sc03465h","","x-ray","1.54184","CuKα","","0.0451","0.0373","","","0.0891","0.093","","","","","","1.073","","","","has coordinates","287291","2023-11-06","06:38:49",""
"1569978","7.9997","0.0003","11.4194","0.0004","14.6997","0.0006","72.158","0.003","82.26","0.003","72.295","0.003","1216.44","0.08","99.9","0.6","99.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C27 H31 B F2 N4 O -","- C27 H31 B F2 N4 O -","- C54 H62 B2 F4 N8 O2 -","2","1","","Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.","Visible light activated energy storage in solid-state Azo-BF2 switches.","Chemical science","2023","14","41","11359","11364","10.1039/d3sc03465h","","x-ray","1.54184","CuKα","","0.0417","0.0369","","","0.1023","0.1059","","","","","","1.103","","","","has coordinates","287291","2023-11-06","06:38:50",""
"1569979","7.2509","0.0003","41.2972","0.0009","9.738","0.0002","90.122","0.002","109.885","0.003","89.203","0.003","2741.83","0.15","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 B F2 N4 O2 -","- C29 H34 B F2 N4 O2 -","- C116 H136 B4 F8 N16 O8 -","4","2","","Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.","Visible light activated energy storage in solid-state Azo-BF2 switches.","Chemical science","2023","14","41","11359","11364","10.1039/d3sc03465h","","x-ray","1.54184","CuKα","","0.0911","0.0783","","","0.2231","0.2356","","","","","","1.049","","","","has coordinates","287291","2023-11-06","06:38:50",""
"1569980","7.9249","0.0002","11.3974","0.0003","16.0639","0.0004","98.41","0.002","102.69","0.002","108.1","0.002","1308.96","0.06","100","0.4","100","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 B F2 N4 O -","- C29 H35 B F2 N4 O -","- C58 H70 B2 F4 N8 O2 -","2","1","","Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.","Visible light activated energy storage in solid-state Azo-BF2 switches.","Chemical science","2023","14","41","11359","11364","10.1039/d3sc03465h","","x-ray","1.54184","CuKα","","0.0999","0.0902","","","0.2406","0.2478","","","","","","1.118","","","","has coordinates","287291","2023-11-06","06:38:50",""
"1569981","10.531","0.003","28.389","0.009","26.123","0.013","90","","98.954","0.017","90","","7715","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(EMind)LCu(N3Ad)","","","- C83 H116 Cu F6 N5 O2 -","- C83 H116 Cu F6 N5 O2 -","- C332 H464 Cu4 F24 N20 O8 -","4","1","","Carsch, Kurtis M.; North, Sasha C.; DiMucci, Ida M.; Iliescu, Andrei; Vojáčková, Petra; Khazanov, Thomas; Zheng, Shao-Liang; Cundari, Thomas R.; Lancaster, Kyle M.; Betley, Theodore A.","Nitrene transfer from a sterically confined copper nitrenoid dipyrrin complex.","Chemical science","2023","14","39","10847","10860","10.1039/d3sc03641c","","","0.71073","MoKα","","0.1594","0.1095","","","0.2432","0.2643","","","","","","1.085","","","","has coordinates,has disorder","287314","2023-11-06","06:58:12",""
"1569982","14.053","0.004","14.168","0.003","25.657","0.005","90","","94.936","0.008","90","","5089","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ArFLCu","","- C65 H41 Cu F6 N2 -","- C65 H41 Cu F6 N2 -","- C260 H164 Cu4 F24 N8 -","4","1","","Carsch, Kurtis M.; North, Sasha C.; DiMucci, Ida M.; Iliescu, Andrei; Vojáčková, Petra; Khazanov, Thomas; Zheng, Shao-Liang; Cundari, Thomas R.; Lancaster, Kyle M.; Betley, Theodore A.","Nitrene transfer from a sterically confined copper nitrenoid dipyrrin complex.","Chemical science","2023","14","39","10847","10860","10.1039/d3sc03641c","","","0.71073","MoKα","","0.0863","0.0454","","","0.0983","0.1109","","","","","","1.031","","","","has coordinates,has disorder","287314","2023-11-06","06:58:15",""
"1569983","38.366","0.01","4.5756","0.0011","15.248","0.004","90","","99.235","0.007","90","","2642.1","1.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H32 N8 O4 -","- C25 H32 N8 O4 -","- C100 H128 N32 O16 -","4","0.5","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.6889","synchrotron","","0.0835","0.0679","","","0.1924","0.2036","","","","","","1.073","","","","has coordinates","287295","2023-11-06","06:41:48",""
"1569984","11.278","0.002","4.5289","0.001","22.111","0.005","90","","91.188","0.005","90","","1129.1","0.4","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N6 O4.5 -","- C22 H29 N6 O4.5 -","- C44 H58 N12 O9 -","2","1","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.71073","MoKα","","0.2428","0.0792","","","0.1343","0.1785","","","","","","0.932","","","","has coordinates","287295","2023-11-06","06:42:00",""
"1569985","18.482","0.004","9.1899","0.0015","17.264","0.003","90","","108.867","0.004","90","","2774.7","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N8 O4 -","- C25 H32 N8 O4 -","- C100 H128 N32 O16 -","4","1","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.6889","Synchrotron","","0.2126","0.1509","","","0.3806","0.4319","","","","","","1.285","","","","has coordinates","287295","2023-11-06","06:42:15",""
"1569986","14.3484","0.0008","9.2167","0.0005","17.5718","0.0009","90","","110.049","0.002","90","","2183","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N6 O4 -","- C21 H26 N6 O4 -","- C84 H104 N24 O16 -","4","1","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.71073","MoKα","","0.0932","0.0575","","","0.1122","0.1256","","","","","","1.066","","","","has coordinates","287295","2023-11-06","06:42:32",""
"1569987","11.3","0.003","4.5408","0.0011","21.909","0.005","90","","90.897","0.007","90","","1124","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 N6 O6 -","- C21 H30 N6 O6 -","- C42 H60 N12 O12 -","2","1","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.6889","synchrotron","","0.1761","0.1179","","","0.308","0.3656","","","","","","1.034","","","","has coordinates","287295","2023-11-06","06:42:48",""
"1570012","6.0804","0.0003","9.9981","0.0005","13.2176","0.0007","78.932","0.004","86.169","0.004","79.771","0.004","775.61","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","6-chloro-3-iodoimidazo[1,2-a]pyrazine","","- C6 H3 Cl I N3 -","- C6 H3 Cl I N3 -","- C24 H12 Cl4 I4 N12 -","4","2","","Kastrati, Agonist; Kremsmair, Alexander; Sunagatullina, Alisa S.; Korotenko, Vasilii; Guersoy, Yusuf C.; Rout, Saroj K.; Lima, Fabio; Brocklehurst, Cara E.; Karaghiosoff, Konstantin; Zipse, Hendrik; Knochel, Paul","Calculation-assisted regioselective functionalization of the imidazo[1,2-a]pyrazine scaffold via zinc and magnesium organometallic intermediates.","Chemical science","2023","14","40","11261","11266","10.1039/d3sc02893c","","","0.71073","MoKα","","0.055","0.0357","","","0.0784","0.088","","","","","","1.04","","","","has coordinates","287323","2023-11-06","07:02:27",""
"1570013","8.9084","0.0003","8.9556","0.0003","9.5787","0.0003","75.699","0.001","74.587","0.001","80.138","0.001","709.3","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","6-chloro-8-iodo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-3-carbonitrile","","- C14 H8 Cl I N4 O -","- C14 H8 Cl I N4 O -","- C28 H16 Cl2 I2 N8 O2 -","2","1","","Kastrati, Agonist; Kremsmair, Alexander; Sunagatullina, Alisa S.; Korotenko, Vasilii; Guersoy, Yusuf C.; Rout, Saroj K.; Lima, Fabio; Brocklehurst, Cara E.; Karaghiosoff, Konstantin; Zipse, Hendrik; Knochel, Paul","Calculation-assisted regioselective functionalization of the imidazo[1,2-a]pyrazine scaffold via zinc and magnesium organometallic intermediates.","Chemical science","2023","14","40","11261","11266","10.1039/d3sc02893c","","","0.71073","MoKα","","0.0246","0.022","","","0.0535","0.0551","","","","","","1.048","","","","has coordinates","287323","2023-11-06","07:02:38",""
"1570014","13.2253","0.001","7.3421","0.0004","9.4392","0.0006","90","","106.538","0.007","90","","878.64","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-allyl-6-chloroimidazo[1,2-a]pyrazine","","- C9 H8 Cl N3 -","- C9 H8 Cl N3 -","- C36 H32 Cl4 N12 -","4","1","","Kastrati, Agonist; Kremsmair, Alexander; Sunagatullina, Alisa S.; Korotenko, Vasilii; Guersoy, Yusuf C.; Rout, Saroj K.; Lima, Fabio; Brocklehurst, Cara E.; Karaghiosoff, Konstantin; Zipse, Hendrik; Knochel, Paul","Calculation-assisted regioselective functionalization of the imidazo[1,2-a]pyrazine scaffold via zinc and magnesium organometallic intermediates.","Chemical science","2023","14","40","11261","11266","10.1039/d3sc02893c","","","0.71073","MoKα","","0.0573","0.0432","","","0.1053","0.1163","","","","","","1.06","","","","has coordinates","287323","2023-11-06","07:02:52",""
"1570015","8.2171","0.0002","5.6996","0.0001","18.6448","0.0005","90","","99.802","0.001","90","","860.47","0.03","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-chloro-2-iodoimidazo[1,2-a]pyrazine-3-carbonitrile","","- C7 H2 Cl I N4 -","- C7 H2 Cl I N4 -","- C28 H8 Cl4 I4 N16 -","4","1","","Kastrati, Agonist; Kremsmair, Alexander; Sunagatullina, Alisa S.; Korotenko, Vasilii; Guersoy, Yusuf C.; Rout, Saroj K.; Lima, Fabio; Brocklehurst, Cara E.; Karaghiosoff, Konstantin; Zipse, Hendrik; Knochel, Paul","Calculation-assisted regioselective functionalization of the imidazo[1,2-a]pyrazine scaffold via zinc and magnesium organometallic intermediates.","Chemical science","2023","14","40","11261","11266","10.1039/d3sc02893c","","","0.71073","MoKα","","0.023","0.0184","","","0.0369","0.0386","","","","","","1.054","","","","has coordinates","287323","2023-11-06","07:03:06",""
"1570016","9.6512","0.0008","19.553","0.0012","20.0708","0.0007","71.675","0.004","89.523","0.004","88.863","0.006","3594.8","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","NDI-Pt-Ptz","NDI-Pt-Ptz","","- C77 H105 N3 O4 P2 Pt S -","- C77 H105 N3 O4 P2 Pt S -","- C154 H210 N6 O8 P4 Pt2 S2 -","2","1","","Auty, Alexander J.; Scattergood, Paul A.; Keane, Theo; Cheng, Tao; Wu, Guanzhi; Carson, Heather; Shipp, James; Sadler, Andrew; Roseveare, Thomas; Sazanovich, Igor V.; Meijer, Anthony J. H. M.; Chekulaev, Dimitri; Elliot, Paul I. P.; Towrie, Mike; Weinstein, Julia A.","A stronger acceptor decreases the rates of charge transfer: ultrafast dynamics and on/off switching of charge separation in organometallic donor-bridge-acceptor systems.","Chemical science","2023","14","41","11417","11428","10.1039/d2sc06409j","","x-ray","0.6889","synchrotron","","0.1246","0.1078","","","0.3157","0.3265","","","","","","1.098","","","","has coordinates","287294","2023-11-06","06:40:49",""
"1570017","14.635","0.002","10.097","0.002","20.471","0.003","90","","103.824","0.011","90","","2937.4","0.8","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C136 H184 N8 O16 -","8","1","","Just, David; Gonçalves, Carlos R; Vezonik, Uroš; Kaiser, Daniel; Maulide, Nuno","General acid-mediated aminolactone formation using unactivated alkenes.","Chemical science","2023","14","39","10806","10811","10.1039/d3sc04073a","","x-ray","0.71073","MoKα","","0.1699","0.0991","","","0.276","0.3023","","","","","","1.043","","","","has coordinates,has disorder","287313","2023-11-06","06:57:51",""
"1570018","12.4541","0.0011","14.0752","0.0012","11.4174","0.001","90","","113.841","0.002","90","","1830.6","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Gandelman419b (Kuldeep)","","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","1","","Avigdori, Idan; Singh, Kuldeep; Fridman, Natalia; Gandelman, Mark","Nitrenium ions as new versatile reagents for electrophilic amination.","Chemical science","2023","14","43","12034","12040","10.1039/d3sc04268e","","","0.71073","MoKα","","0.1209","0.0642","","","0.1295","0.1556","","","","","","1.013","","","","has coordinates","288732","2024-01-06","07:18:28",""
"1570019","17.321","0.003","17.321","0.003","25.467","0.005","90","","90","","120","","6617","2","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","Gandelman452b (Kuldeep)","","","- C78 H90 I8 Li8 N18 -","- C78 H90 I8 Li8 N18 -","- C234 H270 I24 Li24 N54 -","3","0.166667","","Avigdori, Idan; Singh, Kuldeep; Fridman, Natalia; Gandelman, Mark","Nitrenium ions as new versatile reagents for electrophilic amination.","Chemical science","2023","14","43","12034","12040","10.1039/d3sc04268e","","","0.71073","MoKα","","0.0741","0.0387","","","0.0616","0.0685","","","","","","0.875","","","","has coordinates","288732","2024-01-06","07:18:29",""
"1570020","7.804","0.0016","8.7759","0.0018","11.326","0.002","76.189","0.002","73.494","0.003","64.373","0.004","664.5","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","Gandelman457b (Kuldeep)","","","- C15 H19 N3 -","- C15 H19 N3 -","- C30 H38 N6 -","2","1","","Avigdori, Idan; Singh, Kuldeep; Fridman, Natalia; Gandelman, Mark","Nitrenium ions as new versatile reagents for electrophilic amination.","Chemical science","2023","14","43","12034","12040","10.1039/d3sc04268e","","","0.71073","MoKα","","0.0789","0.0406","","","0.0954","0.1137","","","","","","0.966","","","","has coordinates","288732","2024-01-06","07:18:29",""
"1570021","9.832","0.003","11.907","0.004","12.61","0.004","90","","90","","90","","1476.2","0.8","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Gandelman417b (Kuldeep)","","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","1","","Avigdori, Idan; Singh, Kuldeep; Fridman, Natalia; Gandelman, Mark","Nitrenium ions as new versatile reagents for electrophilic amination.","Chemical science","2023","14","43","12034","12040","10.1039/d3sc04268e","","","0.71073","MoKα","","0.1291","0.0612","","","0.125","0.1544","","","","","","1.083","","","","has coordinates","288732","2024-01-06","07:18:29",""
"1570022","10.225","0.002","18.985","0.004","10.7936","0.0018","90","","104.967","0.006","90","","2024.2","0.7","286","2","286","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cu N4 O2 -","- C24 H18 Cu N4 O2 -","- C96 H72 Cu4 N16 O8 -","4","1","","Ren, Jing; Xu, Junhua; Kong, Xiangxiang; Li, Jinlong; Li, Kaizhi","Coordinating activation strategy enables 1,2-alkylamidation of alkynes.","Chemical science","2023","14","41","11466","11473","10.1039/d3sc03786j","","","0.71073","MoKα","","0.037","0.0298","","","0.077","0.0817","","","","","","1.042","","","","has coordinates","287296","2023-11-06","06:43:20",""
"1570039","10.18735","0.00013","13.9611","0.0002","21.418","0.0003","90","","93.4998","0.0012","90","","3040.53","0.07","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C144 H128 O32 -","8","2","","Goyal, Karan; Kukier, Garrett A.; Chen, Xiangyang; Turlik, Aneta; Houk, K. N.; Sarpong, Richmond","Rearrangement of a carboxy-substituted spiro[4.4]nonatriene to annulated fulvenes through a Pd(ii)-mediated 1,5-vinyl shift.","Chemical science","2023","14","42","11809","11817","10.1039/d3sc03222a","","x-ray","1.54184","CuKα","","0.0405","0.0351","","","0.0887","0.0939","","","","","","1.024","","","","has coordinates","287300","2023-11-06","06:47:26",""
"1570040","17.14","0.0002","8.0962","0.0001","31.5007","0.0004","90","","105.166","0.001","90","","4219.07","0.09","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C192 H192 O64 -","16","2","","Goyal, Karan; Kukier, Garrett A.; Chen, Xiangyang; Turlik, Aneta; Houk, K. N.; Sarpong, Richmond","Rearrangement of a carboxy-substituted spiro[4.4]nonatriene to annulated fulvenes through a Pd(ii)-mediated 1,5-vinyl shift.","Chemical science","2023","14","42","11809","11817","10.1039/d3sc03222a","","","1.54184","CuKα","","0.0451","0.0423","","","0.1139","0.1168","","","","","","1.083","","","","has coordinates","287300","2023-11-06","06:47:26",""
"1570041","12.9522","0.0003","8.0449","0.0002","16.5583","0.0004","90","","98.837","0.002","90","","1704.88","0.07","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","2","","Goyal, Karan; Kukier, Garrett A.; Chen, Xiangyang; Turlik, Aneta; Houk, K. N.; Sarpong, Richmond","Rearrangement of a carboxy-substituted spiro[4.4]nonatriene to annulated fulvenes through a Pd(ii)-mediated 1,5-vinyl shift.","Chemical science","2023","14","42","11809","11817","10.1039/d3sc03222a","","x-ray","1.54184","CuKα","","0.0533","0.0513","","","0.1356","0.1372","","","","","","1.049","","","","has coordinates,has disorder","287300","2023-11-06","06:47:26",""
"1570056","10.8691","0.0003","11.2102","0.0003","11.8287","0.0003","71.074","0.001","84.694","0.001","73.669","0.001","1308.34","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 Cl2 N5 O4 Ru -","- C26 H19 Cl2 N5 O4 Ru -","- C52 H38 Cl4 N10 O8 Ru2 -","2","1","","Han, Wang-Kang; Liu, Yong; Feng, Jing-Dong; Yan, Xiaodong; Pang, Huan; Gu, Zhi-Guo","Engineering a molecular ruthenium catalyst into three-dimensional metal covalent organic frameworks for efficient water oxidation.","Chemical science","2023","14","42","11768","11774","10.1039/d3sc03681b","","","0.71073","MoKα","","0.0343","0.0302","","","0.0747","0.078","","","","","","1.045","","","","has coordinates,has disorder","287305","2023-11-06","06:50:34",""
"1570057","12.1419","0.0005","14.3036","0.0006","31.1469","0.0013","83.406","0.002","80.168","0.002","65.193","0.002","4832.5","0.4","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C108 H101 Cl4 N20 O4 Ru2 -","- C108 H101 Cl4 N20 O4 Ru2 -","- C216 H202 Cl8 N40 O8 Ru4 -","2","1","","Han, Wang-Kang; Liu, Yong; Feng, Jing-Dong; Yan, Xiaodong; Pang, Huan; Gu, Zhi-Guo","Engineering a molecular ruthenium catalyst into three-dimensional metal covalent organic frameworks for efficient water oxidation.","Chemical science","2023","14","42","11768","11774","10.1039/d3sc03681b","","x-ray","1.34139","GaKα","","0.0939","0.0675","","","0.1807","0.1958","","","","","","1.04","","","","has coordinates","287305","2023-11-06","06:50:46",""
"1570058","5.9394","0.0001","17.7242","0.0004","25.3518","0.0006","90","","95.735","0.001","90","","2655.45","0.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 S2 -","- C16 H14 S2 -","- C128 H112 S16 -","8","2","","Hauk, Pascal; Mazan, Valérie; Gallou, Fabrice; Wencel-Delord, Joanna","Micellar catalysis: a green solution to enable undirected and mild C-H activation of (oligo)thiophenes at the challenging β-position.","Chemical science","2023","14","43","12049","12055","10.1039/d3sc03708h","","","0.71073","MoKα","","0.0357","0.0321","","","0.0874","0.0907","","","","","","1.043","","","","has coordinates","288077","2023-12-06","14:29:42",""
"1570059","10.9891","0.0002","19.987","0.0003","12.3245","0.0002","90","","90","","90","","2706.94","0.08","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H43 Li O8 Si Te -","- C20 H43 Li O8 Si Te -","- C80 H172 Li4 O32 Si4 Te4 -","4","0.5","","Senthil, Shuruthi; Kwon, Seongyeon; Kong, Richard Y.; MacMillan, Samantha N.; Zatsepin, Pavel; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Lancaster, Kyle M.; Mindiola, Daniel J.","Tellurolate: an effective Te-atom transfer reagent to prepare the triad of group 5 metal bis(tellurides).","Chemical science","2023","14","43","12277","12282","10.1039/d3sc03470d","","x-ray","0.71073","MoKα","","0.0303","0.0242","","","0.0521","0.0536","","","","","","1.046","","","","has coordinates,has disorder","288081","2023-12-06","14:30:32",""
"1570060","11.5657","0.0002","13.6873","0.0002","14.3677","0.0002","64.365","0.002","77.801","0.001","88.853","0.001","1997.68","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H60 N Nb O2.5 P2 Te2 -","- C36 H60 N Nb O2.5 P2 Te2 -","- C72 H120 N2 Nb2 O5 P4 Te4 -","2","1","","Senthil, Shuruthi; Kwon, Seongyeon; Kong, Richard Y.; MacMillan, Samantha N.; Zatsepin, Pavel; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Lancaster, Kyle M.; Mindiola, Daniel J.","Tellurolate: an effective Te-atom transfer reagent to prepare the triad of group 5 metal bis(tellurides).","Chemical science","2023","14","43","12277","12282","10.1039/d3sc03470d","","x-ray","0.71073","MoKα","","0.0681","0.0558","","","0.1402","0.1464","","","","","","1.066","","","","has coordinates,has disorder","288081","2023-12-06","14:30:33",""
"1570061","11.5337","0.0002","13.6583","0.0003","14.3715","0.0003","64.384","0.002","77.963","0.002","88.962","0.002","1989.87","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H60 N O2.5 P2 Ta Te2 -","- C36 H60 N O2.5 P2 Ta Te2 -","- C72 H120 N2 O5 P4 Ta2 Te4 -","2","1","","Senthil, Shuruthi; Kwon, Seongyeon; Kong, Richard Y.; MacMillan, Samantha N.; Zatsepin, Pavel; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Lancaster, Kyle M.; Mindiola, Daniel J.","Tellurolate: an effective Te-atom transfer reagent to prepare the triad of group 5 metal bis(tellurides).","Chemical science","2023","14","43","12277","12282","10.1039/d3sc03470d","","x-ray","0.71073","MoKα","","0.0575","0.0485","","","0.1348","0.1396","","","","","","1.053","","","","has coordinates,has disorder","288081","2023-12-06","14:30:33",""
"1570062","11.5664","0.0016","19.025","0.002","7.3449","0.0009","90","","108.05","0.014","90","","1536.7","0.3","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H10 B F2 N3 O -","- C19 H10 B F2 N3 O -","- C76 H40 B4 F8 N12 O4 -","4","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","0.71073","MoKα","","0.1125","0.0611","","","0.1142","0.1488","","","","","","1.082","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570063","22.1078","0.0002","22.1078","0.0002","4.3558","0.0001","90","","90","","90","","2128.92","0.06","100","2","100","0.1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","2,4,5,7-Tetrafluoro-3,6-diaza-9-hydroxy-9-borafluorene","","- C10 H5 B F4 N2 O2 -","- C10 H5 B F4 N2 O2 -","- C80 H40 B8 F32 N16 O16 -","8","0.5","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0268","0.0261","","","0.0685","0.0689","","","","","","1.046","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570064","9.4037","0.0004","9.4998","0.0005","13.2405","0.0006","79.331","0.004","74.069","0.004","80.373","0.004","1109.21","0.09","100","2","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H17 B F2 N4 O -","- C29 H17 B F2 N4 O -","- C58 H34 B2 F4 N8 O2 -","2","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","0.71073","MoKα","","0.0662","0.0513","","","0.1097","0.1187","","","","","","1.048","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570065","13.6135","0.0002","6.8322","0.0001","20.0023","0.0003","90","","97.479","0.001","90","","1844.59","0.05","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 B F2 N3 O -","- C23 H14 B F2 N3 O -","- C92 H56 B4 F8 N12 O4 -","4","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0439","0.0384","","","0.1071","0.1132","","","","","","1.038","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570066","6.9943","0.0001","20.8883","0.0002","12.2162","0.0001","90","","96.442","0.001","90","","1773.51","0.03","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H12 B F2 N3 O2 -","- C23 H12 B F2 N3 O2 -","- C92 H48 B4 F8 N12 O8 -","4","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0367","0.0349","","","0.0891","0.0905","","","","","","1.04","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570067","18.0134","0.0002","8.6183","0.0001","11.0947","0.0001","90","","113.908","0.001","90","","1574.61","0.03","100","2","100.01","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H12 B F2 N3 O -","- C21 H12 B F2 N3 O -","- C84 H48 B4 F8 N12 O4 -","4","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0308","0.0304","","","0.0819","0.0838","","","","","","1.055","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570068","7.7086","0.0001","10.4268","0.0001","14.8449","0.0002","72.395","0.001","76.238","0.001","71.857","0.001","1067.06","0.02","100","2","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C24 H14 B Cl2 F2 N3 O S -","- C24 H14 B Cl2 F2 N3 O S -","- C48 H28 B2 Cl4 F4 N6 O2 S2 -","2","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0312","0.0306","","","0.0836","0.084","","","","","","1.066","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570069","15.5988","0.0005","8.2297","0.0004","12.1249","0.0006","90","","101.812","0.004","90","","1523.56","0.12","295","7","295","7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F4 N2 O -","- C16 H12 F4 N2 O -","- C64 H48 F16 N8 O4 -","4","1","","Wang, Tao; Zong, Yuan-Yuan; Huang, Tao; Jin, Xiao-Ling; Wu, Li-Zhu; Liu, Qiang","Photocatalytic redox-neutral selective single C(sp3)-F bond activation of perfluoroalkyl iminosulfides with alkenes and water.","Chemical science","2023","14","41","11566","11572","10.1039/d3sc03771a","","x-ray","1.54184","CuKα","","0.1317","0.0722","","","0.2044","0.2354","","","","","","1.307","","","","has coordinates","287292","2023-11-06","06:39:17",""
"1570070","7.8066","0.0001","9.8765","0.0002","16.3671","0.0003","90","","92.361","0.001","90","","1260.86","0.04","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 F2 N2 O4 Zn -","- C30 H18 F2 N2 O4 Zn -","- C60 H36 F4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0302","0.028","","","0.0786","0.0799","","","","","","1.073","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570071","7.8873","0.0003","9.9771","0.0004","16.0181","0.0007","90","","93.433","0.002","90","","1258.24","0.09","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 F2 N2 O4 Zn -","- C30 H18 F2 N2 O4 Zn -","- C60 H36 F4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.104","0.0461","","","0.0961","0.1133","","","","","","1.012","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570072","14.98","0.003","9.8498","0.0017","16.639","0.003","90","","94.86","0.007","90","","2446.3","0.8","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C30 H18 F2 N2 O4 Zn -","- C30 H18 F2 N2 O4 Zn -","- C120 H72 F8 N8 O16 Zn4 -","4","1","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.1106","0.0778","","","0.1921","0.2122","","","","","","1.041","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570073","7.621","0.0001","9.8308","0.0002","17.4204","0.0004","90","","91.107","0.001","90","","1304.9","0.04","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Br2 N2 O4 Zn -","- C30 H18 Br2 N2 O4 Zn -","- C60 H36 Br4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0665","0.0507","","","0.1234","0.1323","","","","","","1.05","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570074","7.6348","0.0001","9.8825","0.0002","17.0598","0.0004","90","","90.083","0.001","90","","1287.18","0.04","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Cl2 N2 O4 Zn -","- C30 H18 Cl2 N2 O4 Zn -","- C60 H36 Cl4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0426","0.0349","","","0.0975","0.1029","","","","","","1.048","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570075","7.7941","0.0007","19.473","0.0018","16.6246","0.0012","90","","91.402","0.003","90","","2522.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Br N2 O4 Zn -","- C30 H19 Br N2 O4 Zn -","- C120 H76 Br4 N8 O16 Zn4 -","4","1","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.1259","0.0848","","","0.2115","0.2387","","","","","","1.039","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570076","7.5498","0.0003","9.7529","0.0003","17.1831","0.0006","90","","91.296","0.001","90","","1264.91","0.08","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Cl2 N2 O4 Zn -","- C30 H18 Cl2 N2 O4 Zn -","- C60 H36 Cl4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.1778","0.0534","","","0.0872","0.1093","","","","","","0.986","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570077","7.7774","0.0002","19.6561","0.0005","16.5227","0.0004","90","","91.553","0.001","90","","2524.95","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Cl N2 O4 Zn -","- C30 H19 Cl N2 O4 Zn -","- C120 H76 Cl4 N8 O16 Zn4 -","4","1","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0575","0.0521","","","0.1579","0.1622","","","","","","1.084","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570078","7.5558","0.0002","9.7064","0.0002","17.3881","0.0004","90","","92.212","0.001","90","","1274.29","0.05","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Br2 N2 O4 Zn -","- C30 H18 Br2 N2 O4 Zn -","- C60 H36 Br4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0588","0.0441","","","0.1172","0.1435","","","","","","1.113","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570079","7.5165","0.0002","21.9107","0.0006","15.9258","0.0004","90","","90","","90","","2622.85","0.12","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H34 Cl4 N4 O8 Zn2 -","- C60 H34 Cl4 N4 O8 Zn2 -","- C120 H68 Cl8 N8 O16 Zn4 -","2","0.25","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.1043","0.0988","","","0.3606","0.3735","","","","","","1.819","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570080","7.6189","0.0002","19.5052","0.0006","16.425","0.0005","90","","91.019","0.001","90","","2440.5","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 F N2 O4 Zn -","- C30 H19 F N2 O4 Zn -","- C120 H76 F4 N8 O16 Zn4 -","4","1","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0551","0.0525","","","0.1415","0.1432","","","","","","1.15","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570081","5.99937","0.0001","7.77287","0.00015","11.90456","0.00017","90.8904","0.0014","95.3034","0.0013","100.967","0.0015","542.354","0.016","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N O2 S -","- C11 H15 N O2 S -","- C22 H30 N2 O4 S2 -","2","1","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0333","0.0321","","","0.0826","0.0835","","","","","","1.087","","","","has coordinates","288737","2024-01-06","07:20:20",""
"1570082","6.3363","0.0002","21.0331","0.0007","8.3324","0.0002","90","","95.395","0.003","90","","1105.56","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C44 H56 N8 O4 S4 -","4","1","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0438","0.0417","","","0.1036","0.105","","","","","","1.059","","","","has coordinates","288737","2024-01-06","07:20:32",""
"1570083","5.5464","0.0006","11.0627","0.001","11.4651","0.0008","70.025","0.007","84.92","0.008","76.652","0.009","643.26","0.11","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C9 H13 Br Cl N3 O2 S -","- C9 H13 Br Cl N3 O2 S -","- C18 H26 Br2 Cl2 N6 O4 S2 -","2","1","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0876","0.079","","","0.1741","0.1791","","","","","","1.085","","","","has coordinates,has disorder","288737","2024-01-06","07:20:35",""
"1570084","5.8837","0.0001","9.301","0.0001","14.8817","0.0002","72.84","0.001","81.889","0.001","75.062","0.001","749.973","0.019","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C32 H42 N2 O6 S2 -","2","1","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0407","0.0384","","","0.0996","0.1014","","","","","","1.07","","","","has coordinates","288737","2024-01-06","07:20:36",""
"1570085","6.1241","0.0002","8.1468","0.0002","11.8684","0.0004","95.121","0.003","91.181","0.003","105.039","0.003","568.98","0.03","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 N O S -","- C12 H17 N O S -","- C24 H34 N2 O2 S2 -","2","1","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0394","0.038","","","0.0972","0.0985","","","","","","1.048","","","","has coordinates","288737","2024-01-06","07:20:36",""
"1570086","14.1503","0.0002","19.7477","0.0004","25.7609","0.0004","90","","90","","90","","7198.5","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H53 N O2 S -","- C35 H53 N O2 S -","- C280 H424 N8 O16 S8 -","8","2","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0737","0.0698","","","0.1556","0.1577","","","","","","1.062","","","","has coordinates","288737","2024-01-06","07:20:36",""
"1570087","12.3174","0.0006","13.2142","0.0006","33.891","0.002","98.9882","0.0012","92.331","0.002","98.306","0.002","5380.1","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","bis(semiquinone) thiophene","SQ2Th","","- C108.27 H130.17 B2 Cl2.73 N12 O5.63 S Zn2 -","- C108.269 H130.173 B2 Cl2.728 N12 O5.635 S Zn2 -","- C216.538 H260.346 B4 Cl5.456 N24 O11.27 S2 Zn4 -","2","1","","Miller, Paul D.; Shultz, David A.; Mengell, Joshua; Kirk, Martin L.; Wojtas, Lukasz","Variation from closed-shell to open shell electronic structures in oligothiophene bis(dioxolene) complexes.","Chemical science","2023","14","43","12264","12276","10.1039/d3sc02341a","","","1.54178","CuKα","","0.0912","0.0893","","","0.2304","0.2313","","","","","","1.092","","","","has coordinates,has disorder","288078","2023-12-06","14:29:56",""
"1570088","11.4225","0.0003","14.9204","0.0004","19.1678","0.0005","86.948","0.001","83.922","0.001","73.176","0.001","3108.46","0.14","100","","100","","","","","","","","","8","P -1","-P 1","2","bis(semiquinone) bithiophene","SQ2Th2","","- C117.02 H147.5 B2 Cl7.14 N12 O9.19 S2 Zn2 -","- C117.024 H147.5 B2 Cl7.144 N12 O9.192 S2 Zn2 -","- C117.024 H147.5 B2 Cl7.144 N12 O9.192 S2 Zn2 -","1","0.5","","Miller, Paul D.; Shultz, David A.; Mengell, Joshua; Kirk, Martin L.; Wojtas, Lukasz","Variation from closed-shell to open shell electronic structures in oligothiophene bis(dioxolene) complexes.","Chemical science","2023","14","43","12264","12276","10.1039/d3sc02341a","","","1.54178","CuKα","","0.0461","0.0418","","","0.1154","0.1194","","","","","","1.027","","","","has coordinates,has disorder","288078","2023-12-06","14:29:57",""
"1570089","13.953","0.0004","19.5674","0.0005","25.3044","0.0006","73.786","0.001","89.414","0.001","76.8","0.001","6448","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","bis(semiquinone) terthiophene","SQ2Th3","","- C116.41 H126.41 B2 Cl19.23 N12 O4 S3 Zn2 -","- C116.408 H126.408 B2 Cl19.224 N12 O4 S3 Zn2 -","- C232.816 H252.816 B4 Cl38.448 N24 O8 S6 Zn4 -","2","1","","Miller, Paul D.; Shultz, David A.; Mengell, Joshua; Kirk, Martin L.; Wojtas, Lukasz","Variation from closed-shell to open shell electronic structures in oligothiophene bis(dioxolene) complexes.","Chemical science","2023","14","43","12264","12276","10.1039/d3sc02341a","","","1.54178","CuKα","","0.0639","0.0562","","","0.1486","0.1552","","","","","","1.033","","","","has coordinates,has disorder","288078","2023-12-06","14:29:57",""
"1570090","20.1526","0.00014","20.1526","0.00014","20.1526","0.00014","90","","90","","90","","8184.52","0.1","100","0.1","100","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C5 H4 N2 O2.25 Zn -","- C5.001 H4.0008 N2.0004 O2.2504 Zn -","- C160.032 H128.026 N64.0128 O72.0128 Zn32 -","32","0.166667","","Xie, Xiao-Jing; Wang, Ying; Cao, Qi-Yun; Krishna, Rajamani; Zeng, Heng; Lu, Weigang; Li, Dan","Surface engineering on a microporous metal-organic framework to boost ethane/ethylene separation under humid conditions.","Chemical science","2023","14","42","11890","11895","10.1039/d3sc04119k","","","1.54184","CuKα","","0.0565","0.0552","","","0.1514","0.1527","","","","","","1.098","","","","has coordinates,has disorder","287304","2023-11-06","06:49:36",""
"1570091","20.1868","0.0004","20.1868","0.0004","20.1868","0.0004","90","","90","","90","","8226.3","0.3","100","0.1","100","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C160.03 H32.01 F96.02 N64.01 O72.01 Zn32 -","- C160.032 H32.0064 F96.0192 N64.0128 O72.0128 Zn32 -","- C160.032 H32.0064 F96.0192 N64.0128 O72.0128 Zn32 -","1","0.00520833","","Xie, Xiao-Jing; Wang, Ying; Cao, Qi-Yun; Krishna, Rajamani; Zeng, Heng; Lu, Weigang; Li, Dan","Surface engineering on a microporous metal-organic framework to boost ethane/ethylene separation under humid conditions.","Chemical science","2023","14","42","11890","11895","10.1039/d3sc04119k","","","1.54184","CuKα","","0.0651","0.0642","","","0.1772","0.1786","","","","","","1.113","","","","has coordinates,has disorder","287304","2023-11-06","06:49:47",""
"1570092","20.1167","0.0005","20.1167","0.0005","20.1167","0.0005","90","","90","","90","","8140.9","0.4","100","0.4","100","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C4 H2 N2 O2.25 Zn -","- C4.0008 H2.0004 N2.0004 O2.2504 Zn -","- C128.026 H64.0128 N64.0128 O72.0128 Zn32 -","32","0.166667","","Xie, Xiao-Jing; Wang, Ying; Cao, Qi-Yun; Krishna, Rajamani; Zeng, Heng; Lu, Weigang; Li, Dan","Surface engineering on a microporous metal-organic framework to boost ethane/ethylene separation under humid conditions.","Chemical science","2023","14","42","11890","11895","10.1039/d3sc04119k","","","1.54184","CuKα","","0.0733","0.0672","","","0.1823","0.1921","","","","","","1.07","","","","has coordinates,has disorder","287304","2023-11-06","06:50:05",""
"1570101","7.5487","0.0001","11.1741","0.0002","18.1225","0.0003","90","","90","","90","","1528.63","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C64 H76 N4 O16 S4 -","4","1","","Liu, Juan; Du, Yi-Ying; He, Yu-Shi; Liang, Yan; Liu, Shang-Zhong; Li, Yi-Yi; Cao, Yi-Ming","Parallel kinetic resolution of aziridines via chiral phosphoric acid-catalyzed apparent hydrolytic ring-opening.","Chemical science","2023","14","43","12152","12159","10.1039/d3sc03899h","","","1.54178","CuKα","","0.0444","0.0429","","","0.1097","0.111","","","","","","1.089","","","","has coordinates","288730","2024-01-06","07:18:06",""
"1570102","12.9872","0.0008","12.2112","0.0007","10.7243","0.0006","90","","91.52","0.002","90","","1700.16","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 B Cl N -","- C7 H15 B Cl N -","- C56 H120 B8 Cl8 N8 -","8","2","","Zhang, Zhi-Qi; Wang, Cheng-Qiang; Li, Long-Ji; Piper, Jared L.; Peng, Zhi-Hui; Ma, Jun-An; Zhang, Fa-Guang; Wu, Jie","Programmable synthesis of difluorinated hydrocarbons from alkenes through a photocatalytic linchpin strategy.","Chemical science","2023","14","41","11546","11553","10.1039/d3sc03951j","","","0.71073","MoKα","","0.0438","0.0406","","","0.1082","0.1112","","","","","","1.06","","","","has coordinates","287293","2023-11-06","06:40:02",""
"1570103","15.6195","0.0003","5.8808","0.0001","22.113","0.0004","90","","106.446","0.002","90","","1948.09","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N2 O6 -","- C23 H22 N2 O6 -","- C92 H88 N8 O24 -","4","1","","Guo, Yuan-Yang; Tian, Ze-Hua; Ma, ChunHua; Han, Yu-Chen; Bai, DaChang; Jiang, ZhiYong","Unlocking mild-condition benzene ring contraction using nonheme diiron N-oxygenase.","Chemical science","2023","14","42","11907","11913","10.1039/d3sc04660e","","","1.54184","CuKα","","0.0557","0.047","","","0.1186","0.125","","","","","","1.055","","","","has coordinates","287299","2023-11-06","06:47:16",""
"1570104","13.949","0.0003","7.204","0.0001","13.9933","0.0002","90","","93.396","0.002","90","","1403.7","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Guo, Yuan-Yang; Tian, Ze-Hua; Ma, ChunHua; Han, Yu-Chen; Bai, DaChang; Jiang, ZhiYong","Unlocking mild-condition benzene ring contraction using nonheme diiron N-oxygenase.","Chemical science","2023","14","42","11907","11913","10.1039/d3sc04660e","","","1.54184","CuKα","","0.0801","0.0716","","","0.2156","0.223","","","","","","1.097","","","","has coordinates","287299","2023-11-06","06:47:16",""
"1570105","7.3836","0.0002","17.6933","0.0006","18.4913","0.0006","90","","90","","90","","2415.71","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 N3 O2 -","- C30 H25 N3 O2 -","- C120 H100 N12 O8 -","4","1","","Wang, Cong-Shuai; Xiong, Qi; Xu, Hui; Yang, Hao-Ran; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang","Organocatalytic atroposelective synthesis of axially chiral N,N'-pyrrolylindoles via de novo indole formation.","Chemical science","2023","14","43","12091","12097","10.1039/d3sc03686c","","x-ray","1.54178","CuKα","","0.036","0.0317","","","0.0883","0.0924","","","","","","1.086","","","","has coordinates","288079","2023-12-06","14:30:03",""
"1570109","20.003","0.0017","19.6485","0.0016","33.29","0.003","90","","95.12","0.002","90","","13031.7","1.9","301.6","","301.6","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C180 H288 Cu57 F2 O42 P6 V6 -","- C180 H288 Cu57 F2 O42 P6 V6 -","- C360 H576 Cu114 F4 O84 P12 V12 -","2","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1128","0.0643","","","0.1623","0.1967","","","","","","1.049","","","","has coordinates,has disorder","288724","2024-01-06","07:15:52",""
"1570110","20.1642","0.0004","20.1642","0.0004","100.293","0.003","90","","90","","120","","35315.3","1.4","273.15","","273.15","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C132 H218 Cu37 O53 P6 V12 -","- C132 H218 Cu37 O53 P6 V12 -","- C792 H1308 Cu222 O318 P36 V72 -","6","0.333333","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1191","0.0671","","","0.129","0.1449","","","","","","0.976","","","","has coordinates","288724","2024-01-06","07:15:53",""
"1570111","20.0446","0.0006","19.6458","0.0006","33.3122","0.001","90","","95.159","0.001","90","","13064.9","0.7","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C180 H288 Cu57 F2 O42 P6 V6 -","- C180 H288 Cu57 F2 O42 P6 V6 -","- C360 H576 Cu114 F4 O84 P12 V12 -","2","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1686","0.0925","","","0.1752","0.1984","","","","","","1.1","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570112","17.803","0.012","20.26","0.03","25.068","0.018","89.93","0.03","76.441","0.012","63.93","0.02","7842","14","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C252 H330 Cu56 O40 P10 -","- C252 H330 Cu56 O40 P10 -","- C252 H330 Cu56 O40 P10 -","1","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","","0.71073","MoKα","","0.1626","0.0995","","","0.2653","0.3312","","","","","","1.017","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570113","33.9064","0.0018","29.8892","0.0015","25.6843","0.0013","90","","99.145","0.001","90","","25699","2","273.15","","273.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C192 H264 Cu56 F Na O48 P12 -","- C192 H264 Cu56 F Na O48 P12 -","- C768 H1056 Cu224 F4 Na4 O192 P48 -","4","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.2533","0.0976","","","0.1866","0.2389","","","","","","0.959","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570114","33.03","0.002","22.4133","0.0015","35.97","0.003","90","","97.72","0.002","90","","26388","3","273.15","","273.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C180 H288 Cu56 F K O42 P12 -","- C180 H288 Cu56 F K O42 P12 -","- C720 H1152 Cu224 F4 K4 O168 P48 -","4","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1989","0.1045","","","0.1961","0.2293","","","","","","1.082","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570115","19.933","0.002","20.066","0.003","20.977","0.003","64.034","0.003","64.514","0.003","74.588","0.003","6778.3","1.6","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C216 H276 Cu56 F Na O48 P12 -","- C216 H276 Cu56 F Na O48 P12 -","- C216 H276 Cu56 F Na O48 P12 -","1","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.2543","0.0841","","","0.1866","0.2534","","","","","","0.954","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570116","20.0489","0.0007","19.6875","0.0006","33.1286","0.001","90","","94.766","0.001","90","","13031.1","0.7","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C180 H288 Cu56 F Na O42 P12 -","- C180 H288 Cu56 F Na O42 P12 -","- C360 H576 Cu112 F2 Na2 O84 P24 -","2","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1638","0.0676","","","0.1645","0.2085","","","","","","1.023","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570117","16.5349","0.0016","10.5849","0.0009","15.6632","0.0012","90","","115.113","0.008","90","","2482.2","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39 Ir O2 P2 -","- C22 H39 Ir O2 P2 -","- C88 H156 Ir4 O8 P8 -","4","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of JHD in transition metal hydrides: solvation and non-covalent interactions versus temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","x-ray","0.7107","MoKα","","0.0421","0.0288","","","0.0609","0.0674","","","","1.33","1.33","1.32","","","","has coordinates","288734","2024-01-06","07:19:02",""
"1570118","10.644","0.009","10.798","0.005","16.58","0.008","88.31","","84.52","0.02","68.64","","1766.6","1.9","40","2","40","2","","","","","","","","7","P -1","-P 1","2","(p-MeOOC-[2,6-(tBu2PO)2-C6H3])IrH2-IC6F5","","","- C30 H43 F5 I Ir O4 P2 -","- C30 H43 F5 I Ir O4 P2 -","- C60 H86 F10 I2 Ir2 O8 P4 -","2","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of JHD in transition metal hydrides: solvation and non-covalent interactions versus temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","","","neutron","","0.1772","0.1648","","","0.3783","0.3869","","","","","","1.608","","","","has coordinates","288734","2024-01-06","07:19:02",""
"1570119","16.656","0.009","10.538","0.005","15.607","0.008","90","","114.75","0.02","90","","2488","2","10","2","10","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[2,6-(tBu2PO)2-C6H3]IrH2","","","- C22 H41 Ir O2 P2 -","- C22 H41 Ir O2 P2 -","- C88 H164 Ir4 O8 P8 -","4","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of JHD in transition metal hydrides: solvation and non-covalent interactions versus temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","","","neutron","","0.0988","0.0962","","","0.2382","0.2426","","","","","","1.037","","","","has coordinates","288734","2024-01-06","07:19:03",""
"1570120","16.639","0.009","10.593","0.005","15.698","0.008","90","","114.88","0.02","90","","2510","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[2,6-(tBu2PO)2-C6H3]IrH2","","","- C22 H41 Ir O2 P2 -","- C22 H41 Ir O2 P2 -","- C88 H164 Ir4 O8 P8 -","4","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of JHD in transition metal hydrides: solvation and non-covalent interactions versus temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","","","neutron","","0.1044","0.101","","","0.2501","0.2555","","","","","","1.101","","","","has coordinates","288734","2024-01-06","07:19:03",""
"1570121","16.607","0.009","10.791","0.005","15.985","0.008","90","","115.07","0.02","90","","2595","2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[2,6-(tBu2PO)2-C6H3]IrH2","","","- C22 H41 Ir O2 P2 -","- C22 H41 Ir O2 P2 -","- C88 H164 Ir4 O8 P8 -","4","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of JHD in transition metal hydrides: solvation and non-covalent interactions versus temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","","","neutron","","0.126","0.1241","","","0.307","0.3096","","","","","","1.469","","","","has coordinates","288734","2024-01-06","07:19:03",""
"1570122","10.62","0.0002","10.6749","0.0002","16.4369","0.0003","87.8506","0.0015","84.0788","0.0015","68.7007","0.0016","1726.87","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H41 F5 I Ir O4 P2 -","- C30 H41 F5 I Ir O4 P2 -","- C60 H82 F10 I2 Ir2 O8 P4 -","2","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of JHD in transition metal hydrides: solvation and non-covalent interactions versus temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","x-ray","0.71073","MoKα","","0.0421","0.031","","","0.0637","0.0669","","","","1.47","1.47","1.42","","","","has coordinates","288734","2024-01-06","07:19:03",""
"1570123","3.67957","0.00009","12.2687","0.0002","27.5101","0.0005","90","","90","","90","","1241.9","0.04","89.8","0.4","89.8","0.4","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 O4 -","- C18 H10 O4 -","- C72 H40 O16 -","4","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0519","0.0377","","","0.0917","0.0969","","","","","","1.059","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570124","3.70624","0.00019","9.6097","0.0003","10.9769","0.0004","104.134","0.003","97.329","0.004","100.536","0.003","366.59","0.03","90","0.1","90","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C20 H14 O4 -","1","0.5","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0566","0.0492","","","0.1492","0.1533","","","","","","1.114","","","","has coordinates,has disorder","288731","2024-01-06","07:18:16",""
"1570125","6.17216","0.00005","7.93147","0.00008","14.13554","0.00014","76.8037","0.0008","82.2893","0.0007","87.7961","0.0007","667.609","0.011","89.8","0.4","89.8","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 F4 O4 -","- C18 H6 F4 O4 -","- C36 H12 F8 O8 -","2","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0533","0.0462","","","0.1464","0.1509","","","","","","1.078","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570126","8.08386","0.00019","6.06732","0.00018","29.2397","0.0008","90","","97.194","0.002","90","","1422.84","0.07","90","0.1","90","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H8 F4 O4 -","- C19 H8 F4 O4 -","- C76 H32 F16 O16 -","4","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0779","0.0752","","","0.1564","0.1575","","","","","","1.284","","","","has coordinates,has disorder","288731","2024-01-06","07:18:16",""
"1570127","5.36368","0.00012","46.3905","0.0012","8.9511","0.0002","90","","93.475","0.002","90","","2223.15","0.09","89.9","0.5","89.9","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C8-BIT","3,3?-Dihydroxy-5?-octyl-2-benzo[f]indan-2?-indan-1,1?-dione","","- C30 H28 O4 -","- C30 H28 O4 -","- C120 H112 O16 -","4","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.1019","0.0964","","","0.2036","0.2061","","","","","","1.166","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570128","27.7976","0.0005","4.71068","0.00009","10.7649","0.0002","90","","100.343","0.0018","90","","1386.71","0.05","89.8","0.5","89.8","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H2 F8 O4 -","- C18 H2 F8 O4 -","- C72 H8 F32 O16 -","4","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0841","0.0668","","","0.1438","0.1502","","","","","","1.163","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570129","8.99456","0.00007","6.49263","0.00004","15.52347","0.00011","90","","104.184","0.0008","90","","878.909","0.011","89.9","0.4","89.9","0.4","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 O4 -","- C26 H14 O4 -","- C52 H28 O8 -","2","0.5","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","x-ray","0.71073","MoKα","","0.0325","0.0294","","","0.0933","0.0954","","","","","","1.075","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570130","10.0658","0.0001","10.9123","0.0002","11.34","0.0002","112.602","0.001","91.909","0.001","104.218","0.001","1103.3","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H23 N O4 -","- C29 H23 N O4 -","- C58 H46 N2 O8 -","2","1","","Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao","Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters via ternary catalysis.","Chemical science","2023","14","42","11850","11857","10.1039/d3sc03452f","","x-ray","1.54184","CuKα","","0.0563","0.0496","","","0.1374","0.1447","","","","","","1.036","","","","has coordinates","287302","2023-11-06","06:48:11",""
"1570131","8.5398","0.0003","10.1848","0.0005","16.9463","0.0005","95.502","0.003","95.621","0.003","113.78","0.004","1327.39","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 N O4 -","- C34 H29 N O4 -","- C68 H58 N2 O8 -","2","1","","Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao","Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters via ternary catalysis.","Chemical science","2023","14","42","11850","11857","10.1039/d3sc03452f","","x-ray","1.54184","CuKα","","0.0654","0.0619","","","0.1675","0.172","","","","","","1.055","","","","has coordinates","287302","2023-11-06","06:48:11",""
"1570132","8.6733","0.0003","17.8722","0.0004","19.6955","0.0005","66.991","0.002","86.552","0.002","87.993","0.002","2804.82","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C68 H50 Br2 O12 -","- C68 H50 Br2 O12 -","- C136 H100 Br4 O24 -","2","1","","Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao","Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters via ternary catalysis.","Chemical science","2023","14","42","11850","11857","10.1039/d3sc03452f","","x-ray","1.54184","CuKα","","0.0812","0.0746","","","0.2185","0.2223","","","","","","1.096","","","","has coordinates","287302","2023-11-06","06:48:11",""
"1570133","20.38188","0.00012","10.2892","0.00005","21.05443","0.00011","90","","90","","90","","4415.39","0.04","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H23 N O4 -","- C29 H23 N O4 -","- C232 H184 N8 O32 -","8","2","","Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao","Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters via ternary catalysis.","Chemical science","2023","14","42","11850","11857","10.1039/d3sc03452f","","x-ray","1.54184","CuKα","","0.0302","0.0297","","","0.0761","0.0766","","","","","","1.067","","","","has coordinates","287302","2023-11-06","06:48:11",""
"1570134","11.939","0.0013","12.0965","0.0011","17.2673","0.0016","103.388","0.008","108.096","0.009","95.332","0.008","2269","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C59 H44 Cl2 N4 O3 -","- C59 H44 Cl2 N4 O3 -","- C118 H88 Cl4 N8 O6 -","2","1","","Song, Xiu-Fang; Jiang, Chenglin; Li, Nengquan; Miao, Jingsheng; Li, Kai; Yang, Chuluo","Simultaneously enhancing the planarity and electron-donating capability of donors for through-space charge transfer TADF towards deep-red emission.","Chemical science","2023","14","43","12246","12254","10.1039/d3sc04264b","","","0.71073","MoKα","","0.127","0.0727","","","0.1914","0.2504","","","","","","1.032","","","","has coordinates,has disorder","288726","2024-01-06","07:16:37",""
"1570135","13.0796","0.0004","32.0909","0.001","13.9618","0.0004","90","","97.426","0.002","90","","5811.1","0.3","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H53 Cl3 N6 O3 -","- C79 H53 Cl3 N6 O3 -","- C316 H212 Cl12 N24 O12 -","4","1","","Song, Xiu-Fang; Jiang, Chenglin; Li, Nengquan; Miao, Jingsheng; Li, Kai; Yang, Chuluo","Simultaneously enhancing the planarity and electron-donating capability of donors for through-space charge transfer TADF towards deep-red emission.","Chemical science","2023","14","43","12246","12254","10.1039/d3sc04264b","","","1.54178","CuKα","","0.1163","0.0947","","","0.2807","0.3027","","","","","","1.263","","","","has coordinates","288726","2024-01-06","07:16:37",""
"1570140","7.7425","0.0015","8.7545","0.0018","18.745","0.004","101.445","0.007","91.78","0.006","93.333","0.006","1242","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","SS-P4-3a","","- C2.08 H2.24 N0.32 O0.48 -","- C2.08 H2.24 N0.32 O0.48 -","- C52 H56 N8 O12 -","25","12.5","","Singh, Swati; Chakrabortty, Gopal; Raha Roy, Sudipta","Skeletal rearrangement through photocatalytic denitrogenation: access to C-3 aminoquinolin-2(1H)-ones.","Chemical science","2023","14","44","12541","12547","10.1039/d3sc04447e","","","0.71073","MoKα","","0.1437","0.063","","","0.1615","0.2106","","","","","","1.023","","","","has coordinates","288722","2024-01-06","07:14:45",""
"1570141","10.2464","0.0016","14.259","0.002","13.0316","0.0019","90","","103.321","0.004","90","","1852.7","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 B2 I2 N5 -","- C12 H23 B2 I2 N5 -","- C48 H92 B8 I8 N20 -","4","1","","Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.","Borylation directed borylation of N-alkyl anilines using iodine activated pyrazaboles.","Chemical science","2023","14","43","12041","12048","10.1039/d3sc04269c","","","1.0402","synchrotron","","0.1085","0.0778","","","0.2051","0.2213","","","","","","1.017","","","","has coordinates","288727","2024-01-06","07:16:51",""
"1570142","7.6116","0.0005","7.7121","0.0007","10.8808","0.0007","102.544","0.007","91.351","0.005","112.43","0.007","572.28","0.08","120","0.1","120","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 B2 I2 N4 -","- C6 H8 B2 I2 N4 -","- C12 H16 B4 I4 N8 -","2","1","","Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.","Borylation directed borylation of N-alkyl anilines using iodine activated pyrazaboles.","Chemical science","2023","14","43","12041","12048","10.1039/d3sc04269c","","","0.71073","MoKα","","0.0379","0.0294","","","0.0721","0.0744","","","","","","1.037","","","","has coordinates","288727","2024-01-06","07:16:55",""
"1570143","15.8673","0.0012","11.135","0.0008","15.4788","0.0011","90","","98.15","0.004","90","","2707.2","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 B2 I N6 -","- C9 H11 B2 I N6 -","- C72 H88 B16 I8 N48 -","8","1","","Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.","Borylation directed borylation of N-alkyl anilines using iodine activated pyrazaboles.","Chemical science","2023","14","43","12041","12048","10.1039/d3sc04269c","","","0.71073","MoKα","","0.0845","0.0752","","","0.171","0.1755","","","","","","1.346","","","","has coordinates","288727","2024-01-06","07:17:09",""
"1570144","11.6629","0.0009","8.3625","0.0007","19.7736","0.0018","90","","90","","90","","1928.5","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H24 B2 N6 -","- C20 H24 B2 N6 -","- C80 H96 B8 N24 -","4","1","","Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.","Borylation directed borylation of N-alkyl anilines using iodine activated pyrazaboles.","Chemical science","2023","14","43","12041","12048","10.1039/d3sc04269c","","","0.6889","synchrotron","","0.0692","0.054","","","0.1396","0.1483","","","","","","0.983","","","","has coordinates","288727","2024-01-06","07:17:13",""
"1570153","8.9467","0.0004","10.7344","0.0004","12.9509","0.0005","90","","101.742","0.004","90","","1217.74","0.09","169.98","0.1","170.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cl F8 N O2 S -","- C8 H4 Cl F8 N O2 S -","- C32 H16 Cl4 F32 N4 O8 S4 -","4","1","","Yasuo, Eisuke; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi","Fluoroalkylated hypervalent sulfur fluorides: radical addition of arylchlorotetrafluoro-λ6-sulfanes to tetrafluoroethylene.","Chemical science","2023","14","43","12379","12385","10.1039/d3sc04837c","","","0.71073","MoKα","","0.0639","0.0541","","","0.1321","0.1402","","","","","","1.057","","","","has coordinates,has disorder","288725","2024-01-06","07:16:26",""
"1570158","9.478","0.0007","13.1121","0.001","15.943","0.0011","90","","91.183","0.002","90","","1980.9","0.3","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 B F3 O P -","- C18 H33 B F3 O P -","- C72 H132 B4 F12 O4 P4 -","4","1","","Leung, Vincent Ming-Yau; Wong, Hong-Chai Fabio; Pook, Chun-Man; Tse, Ying-Lung Steve; Yeung, Ying-Yeung","Trialkylphosphonium oxoborates as C(sp3)-H oxyanion holes and their application in catalytic chemoselective acetalization.","Chemical science","2023","14","44","12684","12692","10.1039/d3sc03081d","","","0.71073","MoKα","","0.0791","0.0589","","","0.1676","0.1938","","","","","","1.065","","","","has coordinates","288076","2023-12-06","14:29:13",""
"1570159","7.4592","0.0006","11.1811","0.0009","12.5405","0.001","67.082","0.003","73.561","0.003","80.326","0.004","921.98","0.13","110","","110","","","","","","","","","4","P -1","-P 1","2","","tert-butyl 2,2-difluoro-3-hydroxy-3-phenylpropanoate","","- C20 H22 F2 O4 -","- C20 H22 F2 O4 -","- C40 H44 F4 O8 -","2","1","","Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo","Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.","Chemical science","2023","14","45","13007","13013","10.1039/d3sc04549h","","","1.54178","CuKα","","0.037","0.0348","","","0.0862","0.0877","","","","","","1.052","","","","has coordinates,has disorder","288765","2024-01-06","07:38:23",""
"1570160","29.2415","0.0018","7.5874","0.0005","6.0208","0.0004","90","","90","","90","","1335.82","0.15","110","","110","","","","","","","","","4","P n a 21","P 2c -2n","33","","3,3-Difluoro-5-(4-phenoxyphenyl)dihydrofuran-2(3H)-one","","- C16 H12 F2 O3 -","- C16 H12 F2 O3 -","- C64 H48 F8 O12 -","4","1","","Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo","Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.","Chemical science","2023","14","45","13007","13013","10.1039/d3sc04549h","","","1.54178","CuKα","","0.0374","0.0334","","","0.0804","0.082","","","","","","1.051","","","","has coordinates","288765","2024-01-06","07:38:23",""
"1570161","31.826","0.003","5.2173","0.0004","8.1338","0.0007","90","","90","","90","","1350.6","0.2","110","","110","","","","","","","","","4","P n a 21","P 2c -2n","33","","DS-393","","- C16 H16 F2 O3 -","- C16 H16 F2 O3 -","- C64 H64 F8 O12 -","4","1","","Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo","Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.","Chemical science","2023","14","45","13007","13013","10.1039/d3sc04549h","","","1.54178","CuKα","","0.0392","0.039","","","0.1057","0.1058","","","","","","1.139","","","","has coordinates","288765","2024-01-06","07:38:23",""
"1570162","17.1165","0.0005","19.8953","0.0006","20.744","0.0007","89.485","0.002","71.022","0.002","89.93","0.002","6679.9","0.4","110","","110","","","","","","","","","6","P -1","-P 1","2","","OGB_DS_230316_V_FeBr2","","- C28 H46 Br2 Fe P2 S -","- C28 H46 Br2 Fe P2 S -","- C224 H368 Br16 Fe8 P16 S8 -","8","4","","Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo","Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.","Chemical science","2023","14","45","13007","13013","10.1039/d3sc04549h","","","1.54178","CuKα","","0.0525","0.0481","","","0.1231","0.1266","","","","","","1.024","","","","has coordinates,has disorder","288765","2024-01-06","07:38:23",""
"1570163","11.7527","0.0003","28.5642","0.0006","17.9883","0.0004","90","","106.088","0.001","90","","5802.3","0.2","170","","170","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C124 H176 Al3 O3 U3 -","- C124 H175.5 Al3 O3 U3 -","- C248 H351 Al6 O6 U6 -","2","0.5","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","1.54178","CuKα","","0.0609","0.0609","","","0.1611","0.1611","","","","","","1.199","","","","has coordinates,has disorder","288729","2024-01-06","07:17:59",""
"1570164","9.6007","0.0018","12.037","0.002","16.215","0.003","97.253","0.006","97.094","0.006","99.358","0.007","1814.2","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H56 Ga O U -","- C39 H56 Ga O U -","- C78 H112 Ga2 O2 U2 -","2","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.0618","0.0459","","","0.0938","0.0999","","","","","","1.023","","","","has coordinates","288729","2024-01-06","07:17:59",""
"1570165","8.7245","0.0007","33.797","0.003","10.1074","0.0008","90","","111.688","0.003","90","","2769.3","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 O U -","- C30 H44 O U -","- C120 H176 O4 U4 -","4","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.0327","0.0256","","","0.0557","0.0584","","","","","","1.046","","","","has coordinates,has disorder","288729","2024-01-06","07:17:59",""
"1570166","9.607","0.0004","11.8205","0.0005","16.2324","0.0006","96.772","0.002","97.569","0.002","99.253","0.002","1785.19","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H59 Al O U -","- C39 H59 Al O U -","- C78 H118 Al2 O2 U2 -","2","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.0364","0.0259","","","0.0489","0.0529","","","","","","1.053","","","","has coordinates","288729","2024-01-06","07:17:59",""
"1570167","10.0045","0.0014","18.413","0.003","15.158","0.002","90","","94.813","0.002","90","","2782.5","0.7","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 I O U -","- C29 H41 I O U -","- C116 H164 I4 O4 U4 -","4","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.0339","0.0264","","","0.0603","0.064","","","","","","1.133","","","","has coordinates","288729","2024-01-06","07:17:59",""
"1570168","8.9923","0.0012","17.002","0.002","19.547","0.003","108.404","0.004","95.865","0.004","90.279","0.004","2818.6","0.7","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H46 O U -","- C31 H46 O U -","- C124 H184 O4 U4 -","4","2","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.1208","0.0629","","","0.1094","0.1354","","","","","","1.045","","","","has coordinates,has disorder","288729","2024-01-06","07:17:59",""
"1570169","10.0523","0.0008","11.2703","0.0009","14.4867","0.0011","91.227","0.003","106.016","0.003","95.893","0.003","1567.1","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H50 O2 U -","- C33 H50 O2 U -","- C66 H100 O4 U2 -","2","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.0474","0.0336","","","0.0688","0.0754","","","","","","1.082","","","","has coordinates,has disorder","288729","2024-01-06","07:17:59",""
"1570170","6.4333","0.0002","11.2099","0.0003","15.6487","0.0005","90","","90","","90","","1128.53","0.06","101","3","101","3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 B F2 N O -","- C11 H14 B F2 N O -","- C44 H56 B4 F8 N4 O4 -","4","1","","Shinde, Ganesh H.; Ghotekar, Ganesh S.; Amombo Noa, Francoise M.; Öhrström, Lars; Norrby, Per-Ola; Sundén, Henrik","Regioselective ortho halogenation of N-aryl amides and ureas via oxidative halodeboronation: harnessing boron reactivity for efficient C-halogen bond installation.","Chemical science","2023","14","46","13429","13436","10.1039/d3sc04628a","","","1.54184","CuKα","","0.1","0.0921","","","0.2193","0.2244","","","","","","1.073","","","","has coordinates,has disorder","288740","2024-01-06","07:21:52",""
"1570171","6.748","0.0007","13.0022","0.0013","10.0405","0.0011","90","","96.872","0.003","90","","874.61","0.16","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O5 -","- C19 H19 Br O5 -","- C38 H38 Br2 O10 -","2","1","","Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan","Enantioselective and collective total synthesis of pentacyclic 19-nor-clerodanes.","Chemical science","2023","14","44","12598","12605","10.1039/d3sc04335e","","","0.71073","MoKα","","0.0366","0.0314","","","0.0782","0.0816","","","","","","1.017","","","","has coordinates","288721","2024-01-06","07:14:37",""
"1570172","6.9574","0.0001","10.4076","0.0002","22.6105","0.0004","90","","90","","90","","1637.22","0.05","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan","Enantioselective and collective total synthesis of pentacyclic 19-nor-clerodanes.","Chemical science","2023","14","44","12598","12605","10.1039/d3sc04335e","","x-ray","1.54184","CuKα","","0.0353","0.033","","","0.0835","0.0847","","","","","","1.063","","","","has coordinates","288721","2024-01-06","07:14:37",""
"1570173","6.6884","0.0001","7.0394","0.0002","35.4914","0.0007","90","","90","","90","","1671.02","0.06","172.95","0.13","172.95","0.13","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan","Enantioselective and collective total synthesis of pentacyclic 19-nor-clerodanes.","Chemical science","2023","14","44","12598","12605","10.1039/d3sc04335e","","x-ray","1.54184","CuKα","","0.0358","0.034","","","0.0857","0.087","","","","","","1.047","","","","has coordinates","288721","2024-01-06","07:14:37",""
"1570174","5.7657","0.0002","8.4827","0.0004","12.1582","0.0005","90","","99.606","0.004","90","","586.3","0.04","571","2","571","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 F O2 -","- C13 H15 F O2 -","- C26 H30 F2 O4 -","2","1","","Zhang, Ying; Yang, Jimin; Ruan, Yu-Long; Liao, Ling; Ma, Chuang; Xue, Xiao-Song; Yu, Jin-Sheng","Nickel-catalysed asymmetric hydromonofluoromethylation of 1,3-enynes for enantioselective construction of monofluoromethyl-tethered chiral allenes.","Chemical science","2023","14","44","12676","12683","10.1039/d3sc04474b","","","1.54184","CuKα","","0.0419","0.0387","","","0.1043","0.1069","","","","","","1.128","","","","has coordinates","288720","2024-01-06","07:14:27",""
"1570175","9.6128","0.0003","10.2795","0.0003","12.5045","0.0003","103.159","0.002","96.871","0.002","116.633","0.003","1040.05","0.06","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C42 H34 F2 O8 S6 -","- C42 H34 F2 O8 S6 -","- C42 H34 F2 O8 S6 -","1","1","","Zhang, Ying; Yang, Jimin; Ruan, Yu-Long; Liao, Ling; Ma, Chuang; Xue, Xiao-Song; Yu, Jin-Sheng","Nickel-catalysed asymmetric hydromonofluoromethylation of 1,3-enynes for enantioselective construction of monofluoromethyl-tethered chiral allenes.","Chemical science","2023","14","44","12676","12683","10.1039/d3sc04474b","","","1.54184","CuKα","","0.0555","0.0531","","","0.1505","0.1541","","","","","","1.054","","","","has coordinates","288720","2024-01-06","07:14:28",""
"1570176","9.1305","0.0002","10.8099","0.0001","23.076","0.0003","90","","97.439","0.001","90","","2258.43","0.06","297.96","0.14","297.96","0.14","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 F2 O4 S2 -","- C24 H20 F2 O4 S2 -","- C96 H80 F8 O16 S8 -","4","2","","Zhang, Ying; Yang, Jimin; Ruan, Yu-Long; Liao, Ling; Ma, Chuang; Xue, Xiao-Song; Yu, Jin-Sheng","Nickel-catalysed asymmetric hydromonofluoromethylation of 1,3-enynes for enantioselective construction of monofluoromethyl-tethered chiral allenes.","Chemical science","2023","14","44","12676","12683","10.1039/d3sc04474b","","x-ray","1.54184","CuKα","","0.0397","0.0359","","","0.0942","0.0968","","","","","","1.034","","","","has coordinates","288720","2024-01-06","07:14:28",""
"1570178","5.9679","0.0008","9.6419","0.0013","12.2058","0.0016","73.039","0.005","89.8","0.005","81.559","0.005","663.94","0.15","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","1","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0631","0.059","","","0.1599","0.1708","","","","","","1.036","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570179","24.9493","0.0004","17.2771","0.0003","10.1867","0.0001","90","","90","","90","","4390.99","0.11","298","2","298","","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C72 F8 I4 -","- C72 F8 I4 -","- C288 F32 I16 -","4","0.25","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0554","0.0434","","","0.1103","0.1282","","","","","","1.094","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570180","6.1992","0.0003","9.2122","0.0005","12.9134","0.0007","107.15","0.002","94.642","0.002","97.251","0.002","693.58","0.06","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H5 F4 I2 -","- C14 H5 F4 I2 -","- C28 H10 F8 I4 -","2","1","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.055","0.0482","","","0.1146","0.1207","","","","","","1.131","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570181","5.1812","0.0002","15.4603","0.0005","17.4682","0.0006","72.718","0.003","87.214","0.003","81.882","0.003","1322.66","0.08","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H20 F12 I6 -","- C66 H20 F12 I6 -","- C66 H20 F12 I6 -","1","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","x-ray","0.6889","synchrotron","","0.0843","0.0698","","","0.1955","0.207","","","","","","1.052","","","","has coordinates,has disorder","288770","2024-01-06","07:39:35",""
"1570182","6.0403","0.0001","12.6794","0.0003","13.4013","0.0004","88.433","0.002","79.59","0.002","84.594","0.002","1004.93","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H5 F8 I2 N2 -","- C20 H5 F8 I2 N2 -","- C40 H10 F16 I4 N4 -","2","1","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0656","0.0492","","","0.1466","0.1699","","","","","","1.09","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570183","5.9146","0.0008","9.8631","0.0014","17.982","0.0018","94.026","0.005","97.548","0.005","105.52","0.006","995.9","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H5 F8 I2 N2 -","- C19 H5 F8 I2 N2 -","- C38 H10 F16 I4 N4 -","2","1","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.1068","0.0827","","","0.2207","0.2396","","","","","","1.073","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570184","5.7028","0.0006","10.2278","0.0012","14.3969","0.0015","104.396","0.006","97.493","0.005","95.668","0.006","798.86","0.15","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H12 F8 I4 -","- C36 H12 F8 I4 -","- C36 H12 F8 I4 -","1","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0889","0.0697","","","0.1745","0.1923","","","","","","1.085","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570185","5.6444","0.0007","5.6487","0.0007","10.5675","0.0013","90.233","0.007","90.118","0.007","100.763","0.008","331","0.07","180","2","180","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H6 F4 I2 -","- C12 H6 F4 I2 -","- C12 H6 F4 I2 -","1","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0959","0.091","","","0.2171","0.2304","","","","","","1.086","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570186","19.1824","0.0019","5.9202","0.0007","8.9814","0.0009","90","","90.617","0.006","90","","1019.9","0.19","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 F4 I2 -","- C24 H12 F4 I2 -","- C48 H24 F8 I4 -","2","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0614","0.0464","","","0.0995","0.1107","","","","","","1.077","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570187","5.8113","0.0002","10.2259","0.0004","13.3298","0.0004","103.652","0.001","92.767","0.002","96.252","0.002","762.93","0.05","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H12 F8 I4 -","- C32 H12 F8 I4 -","- C32 H12 F8 I4 -","1","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.095","0.0857","","","0.2115","0.2304","","","","","","1.1","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570188","6.1683","0.0005","15.3618","0.0013","18.546","0.0013","94.961","0.006","93.811","0.006","97.532","0.007","1730.3","0.2","291.9","0.4","291.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C33 H12 F10 I5 -","- C33 H12 F10 I5 -","- C66 H24 F20 I10 -","2","1","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","x-ray","1.54184","CuKα","","0.1268","0.075","","","0.2011","0.2656","","","","","","1.047","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570189","18.6625","0.0003","19.1498","0.0002","19.7834","0.0003","110.096","0.0012","116.08","0.0014","96.0693","0.0011","5680.7","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C228 H126 Ag28.33 Au17.67 Cl4 F24 P2 -","- C228 H126 Ag28.324 Au17.676 Cl4 F24 P2 -","- C228 H126 Ag28.324 Au17.676 Cl4 F24 P2 -","1","0.5","","Li, Yingwei; Stec, Grant J.; Thorarinsdottir, Agnes E.; McGillicuddy, Ryan D.; Zheng, Shao-Liang; Mason, Jarad A.","The role of metal accessibility on carbon dioxide electroreduction in atomically precise nanoclusters.","Chemical science","2023","14","43","12283","12291","10.1039/d3sc04085b","","","0.71073","MoKα","","0.0456","0.0308","","","0.0554","0.0588","","","","","","1.013","","","","has coordinates,has disorder","288728","2024-01-06","07:17:37",""
"1570190","19.1204","0.0002","19.4571","0.0002","19.7081","0.0002","106.533","0.001","101.704","0.001","111.05","0.0011","6166.68","0.15","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C260 H210 Ag27 Au19 Cl4 N4 P2 -","- C260 H210 Ag26.992 Au19.008 Cl4 N4 P2 -","- C260 H210 Ag26.992 Au19.008 Cl4 N4 P2 -","1","0.5","","Li, Yingwei; Stec, Grant J.; Thorarinsdottir, Agnes E.; McGillicuddy, Ryan D.; Zheng, Shao-Liang; Mason, Jarad A.","The role of metal accessibility on carbon dioxide electroreduction in atomically precise nanoclusters.","Chemical science","2023","14","43","12283","12291","10.1039/d3sc04085b","","","0.71073","MoKα","","0.0457","0.0277","","","0.0511","0.0552","","","","","","1.004","","","","has coordinates,has disorder","288728","2024-01-06","07:17:43",""
"1570198","5.0376","0.0001","9.9157","0.0003","10.6198","0.0003","64.769","0.001","82.129","0.001","87.881","0.001","475.21","0.02","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 F2 I N -","- C9 H6 F2 I N -","- C18 H12 F4 I2 N2 -","2","1","","Ranjan, Subham; Morioka, Ryota; Ryu, Meguya; Morikawa, Junko; Takamizawa, Satoshi","A role of intermolecular interaction modulating thermal diffusivity in organosuperelastic and organoferroelastic cocrystals.","Chemical science","2023","14","45","12995","13006","10.1039/d3sc03155a","","","0.71073","MoKα","","0.0167","0.0157","","","0.0401","0.0405","","","","","","1.026","","","","has coordinates","288082","2023-12-06","14:32:22",""
"1570199","5.0372","0.0001","9.9139","0.0003","10.6213","0.0003","64.766","0.001","82.107","0.001","87.905","0.001","475.11","0.02","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 F2 I N -","- C9 H6 F2 I N -","- C18 H12 F4 I2 N2 -","2","1","","Ranjan, Subham; Morioka, Ryota; Ryu, Meguya; Morikawa, Junko; Takamizawa, Satoshi","A role of intermolecular interaction modulating thermal diffusivity in organosuperelastic and organoferroelastic cocrystals.","Chemical science","2023","14","45","12995","13006","10.1039/d3sc03155a","","","0.71073","MoKα","","0.0177","0.0162","","","0.0362","0.0366","","","","","","1.118","","","","has coordinates","288082","2023-12-06","14:32:26",""
"1570200","8.394","0.0007","18.3051","0.0013","13.1815","0.0009","90","","105.31","0.002","90","","1953.5","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C88 H40 F16 I8 -","4","1","","Ranjan, Subham; Morioka, Ryota; Ryu, Meguya; Morikawa, Junko; Takamizawa, Satoshi","A role of intermolecular interaction modulating thermal diffusivity in organosuperelastic and organoferroelastic cocrystals.","Chemical science","2023","14","45","12995","13006","10.1039/d3sc03155a","","","0.71073","MoKα","","0.0951","0.046","","","0.0976","0.1117","","","","","","1.014","","","","has coordinates","288082","2023-12-06","14:32:27",""
"1570201","8.3909","0.0005","18.323","0.0011","13.1994","0.0009","90","","105.33","0.002","90","","1957.2","0.2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C88 H40 F16 I8 -","4","1","","Ranjan, Subham; Morioka, Ryota; Ryu, Meguya; Morikawa, Junko; Takamizawa, Satoshi","A role of intermolecular interaction modulating thermal diffusivity in organosuperelastic and organoferroelastic cocrystals.","Chemical science","2023","14","45","12995","13006","10.1039/d3sc03155a","","","0.71073","MoKα","","0.049","0.0359","","","0.0834","0.0894","","","","","","1.071","","","","has coordinates","288082","2023-12-06","14:32:27",""
"1570202","5.929","0.0019","13.676","0.004","20.842","0.006","86.336","0.014","88.961","0.014","85.079","0.015","1680.2","0.9","250","2","250","2","","","","","","","","6","P -1","-P 1","2","CCS-1-407_250K","","","- C35 H34 F3 N3 O8 S -","- C35 H34 F3 N3 O8 S -","- C70 H68 F6 N6 O16 S2 -","2","1","","Corral Suarez, Carlos; Colomer, Ignacio","Trifluoromethylarylation of alkenes using anilines.","Chemical science","2023","14","43","12083","12090","10.1039/d3sc03868h","","","0.71073","MoKα","","0.0856","0.0489","","","0.1248","0.1489","","","","","","1.049","","","","has coordinates,has disorder","288733","2024-01-06","07:18:44",""
"1570203","8.5802","0.0009","19.2499","0.0019","15.3566","0.0017","90","","94.856","0.006","90","","2527.3","0.5","260","","260","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","monoclinic","","- C31 H25 B F4 N2 -","- C31 H25 B F4 N2 -","- C124 H100 B4 F16 N8 -","4","1","","Li, Shiqing; Lv, Shihai; Yang, Yanyan; Zhu, Peiyan; Zhao, Dongbing; Zeng, Ming-Hua","Mechanistic insights into an NH4OAc-promoted imine dance in Rh-catalysed multicomponent double C-H annulations through an N-retention/exchange dual channel.","Chemical science","2023","14","46","13446","13452","10.1039/d3sc03861k","","","1.34139","GaKα","","0.1623","0.12","","","0.3367","0.3513","","","","","","1.116","","","","has coordinates,has disorder","288741","2024-01-06","07:22:03",""
"1570204","10.84837","0.00019","8.49086","0.00012","14.396","0.0003","90","","111.998","0.002","90","","1229.5","0.04","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl-1-(cyanomethyl)-3-phenylcyclobut-2-ene-1-carboxylate","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Xiao, Yuanjiu; Xu, Tong-Tong; Zhou, Jin-Lan; Wu, Feng; Tang, Lei; Liu, Ruo-Yi; Wu, Wen-Biao; Feng, Jian-Jun","Photochemical α-selective radical ring-opening reactions of 1,3-disubstituted acyl bicyclobutanes with alkyl halides: modular access to functionalized cyclobutenes.","Chemical science","2023","14","45","13060","13066","10.1039/d3sc04457b","","x-ray","1.54184","CuKα","","0.0507","0.0481","","","0.1412","0.1439","","","","","","1.079","","","","has coordinates","288766","2024-01-06","07:38:30",""
"1570205","34.7885","0.0007","11.2616","0.0002","20.4116","0.0004","90","","123.683","0.002","90","","6654.2","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cu2 N2 O14 -","- C26 H28 Cu2 N2 O14 -","- C208 H224 Cu16 N16 O112 -","8","1","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","0.82656","synchrotron","","0.1005","0.0797","","","0.2317","0.242","","","","","","1.083","","","","has coordinates","288768","2024-01-06","07:39:04",""
"1570206","11.306","0.004","13.0779","0.0004","14.8702","0.0003","90","","90","","108.499","0.002","2085.1","0.7","100","","100","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","","","- C21 H23 Cu N O9 -","- C21 H23 Cu N O9 -","- C84 H92 Cu4 N4 O36 -","4","1","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","0.82656","synchrotron","","0.0555","0.0485","","","0.1431","0.1483","","","","","","1.088","","","","has coordinates","288768","2024-01-06","07:39:05",""
"1570207","32.415","0.003","23.5559","0.0003","16.0326","0.0002","90","","90","","90","","12241.9","1.2","100","","100","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C23.38 H16 Cu1.23 O7.38 -","- C23.3846 H16 Cu1.23077 O7.38462 -","- C304 H208 Cu16 O96 -","13","0.8125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","0.82653","synchrotron","","0.1156","0.1077","","","0.2922","0.2957","","","","","","1.065","","","","has coordinates","288768","2024-01-06","07:39:05",""
"1570208","12.625","0.003","6.2763","0.0014","14.05","0.003","90","","95.59","0.014","90","","1108","0.4","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 F O2 -","- C13 H13 F O2 -","- C52 H52 F4 O8 -","4","1","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of ortho-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.0744","0.0474","","","0.1097","0.1263","","","","","","1.023","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570209","7.9641","0.0004","20.6944","0.0009","8.0024","0.0004","90","","104.19","0.003","90","","1278.65","0.11","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F3 O2 -","- C14 H13 F3 O2 -","- C56 H52 F12 O8 -","4","1","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of ortho-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.0684","0.056","","","0.1342","0.1424","","","","","","1.036","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570210","18.3768","0.0013","6.9898","0.0004","27.6891","0.0017","90","","103.554","0.007","90","","3457.6","0.4","273.15","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Cl N O -","- C9 H9 Cl N O -","- C144 H144 Cl16 N16 O16 -","16","2","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of ortho-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.1055","0.0719","","","0.1328","0.1447","","","","","","1.106","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570211","9.5011","0.0014","11.9938","0.0015","11.5637","0.0017","90","","109.29","0.007","90","","1243.8","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F O3 -","- C14 H15 F O3 -","- C56 H60 F4 O12 -","4","1","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of ortho-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.0675","0.0473","","","0.1199","0.1367","","","","","","1.046","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570212","10.9193","0.0006","18.5629","0.0012","9.7993","0.0005","90","","115.272","0.003","90","","1796.16","0.18","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl2 F2 N3 O -","- C18 H17 Cl2 F2 N3 O -","- C72 H68 Cl8 F8 N12 O4 -","4","1","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of ortho-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.0535","0.0404","","","0.0969","0.1041","","","","","","1.059","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570213","12.23","0.0009","6.3052","0.0005","14.0798","0.001","90","","90.886","0.005","90","","1085.6","0.14","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 F O2 -","- C13 H13 F O2 -","- C52 H52 F4 O8 -","4","1","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of ortho-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.0897","0.0479","","","0.0918","0.1066","","","","","","1.019","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570215","9.5321","0.0003","9.6051","0.0003","15.298","0.0005","79.403","0.002","76.551","0.002","68.694","0.002","1261.46","0.07","270","","270","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 N O5 P S2 -","- C25 H22 N O5 P S2 -","- C50 H44 N2 O10 P2 S4 -","2","1","","Urvashi, ?; Mishra, Sampoorna; Patil, Nitin T.","Gold-catalyzed alkenylation and arylation of phosphorothioates.","Chemical science","2023","14","45","13134","13139","10.1039/d3sc04888h","","","1.54178","CuKα","","0.1134","0.0642","","","0.1576","0.189","","","","","","1.022","","","","has coordinates","288769","2024-01-06","07:39:13",""
"1570216","6.1164","0.0002","8.8641","0.0003","34.4839","0.0011","90","","90.615","0.001","90","","1869.48","0.11","140","","140","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Br O3 P S -","- C20 H16 Br O3 P S -","- C80 H64 Br4 O12 P4 S4 -","4","1","","Urvashi, ?; Mishra, Sampoorna; Patil, Nitin T.","Gold-catalyzed alkenylation and arylation of phosphorothioates.","Chemical science","2023","14","45","13134","13139","10.1039/d3sc04888h","","","1.54178","CuKα","","0.0618","0.0379","","","0.1051","0.1944","","","","","","0.873","","","","has coordinates","288769","2024-01-06","07:39:21",""
"1570217","5.2184","0.0016","22.132","0.007","22.185","0.007","77.088","0.007","84.165","0.007","86.306","0.007","2482.2","1.3","303","2","300","","","","","","","","","6","P -1","-P 1","2","","","","- C4.09 H5.39 Br0.17 N0.26 O0.52 S0.17 -","- C4.08696 H5.3913 Br0.173913 N0.26087 O0.521739 S0.173913 -","- C94 H124 Br4 N6 O12 S4 -","23","11.5","","Kongasseri, Anju Ajayan; Ansari, Shagufi Naz; Garain, Swadhin; Wagalgave, Sopan M.; George, Subi J.","Revisiting organic charge-transfer cocrystals for wide-range tunable, ambient phosphorescence.","Chemical science","2023","14","44","12548","12553","10.1039/d3sc04001a","","","0.71073","MoKα","","0.3023","0.1649","","","0.4848","0.5345","","","","","","1.481","","","","has coordinates","288723","2024-01-06","07:14:56",""
"1570218","9.943","0.005","10.798","0.005","17.67","0.009","104.405","0.013","102.771","0.012","91.43","0.013","1785.6","1.5","302","2","302","2","","","","","","","","5","P -1","-P 1","2","","","","- C H Br N O -","- C3.09091 H4 Br0.181818 N0.181818 O0.545455 -","- C68 H88 Br4 N4 O12 -","22","11","","Kongasseri, Anju Ajayan; Ansari, Shagufi Naz; Garain, Swadhin; Wagalgave, Sopan M.; George, Subi J.","Revisiting organic charge-transfer cocrystals for wide-range tunable, ambient phosphorescence.","Chemical science","2023","14","44","12548","12553","10.1039/d3sc04001a","","","0.71073","MoKα","","0.2519","0.1228","","","0.2796","0.346","","","","","","1.037","","","","has coordinates","288723","2024-01-06","07:14:57",""
"1570219","9.6713","0.0003","12.044","0.0004","31.4195","0.0009","90","","90","","90","","3659.8","0.2","301","2","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2.57 H3.32 I0.15 N0.15 O0.45 -","- C2.56604 H3.32075 I0.150943 N0.150943 O0.45283 -","- C136 H176 I8 N8 O24 -","53","13.25","","Kongasseri, Anju Ajayan; Ansari, Shagufi Naz; Garain, Swadhin; Wagalgave, Sopan M.; George, Subi J.","Revisiting organic charge-transfer cocrystals for wide-range tunable, ambient phosphorescence.","Chemical science","2023","14","44","12548","12553","10.1039/d3sc04001a","","","0.71073","MoKα","","0.0628","0.039","","","0.0795","0.0925","","","","","","1.07","","","","has coordinates","288723","2024-01-06","07:14:57",""
"1570220","4.6856","0.0001","16.2628","0.0005","11.3085","0.0004","90","","90.473","0.002","90","","861.69","0.04","157","2","157","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C27 H18 -","- C27 H18 -","- C54 H36 -","2","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","","1.54178","CuKα","","0.0439","0.0405","","","0.105","0.1076","","","","","","1.054","","","","has coordinates,has disorder","288771","2024-01-06","07:40:10",""
"1570221","16.8733","0.0006","15.5281","0.0006","19.2855","0.0007","90","","90","","90","","5053","0.3","140","2","140","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C55 H73 Na O10 -","- C47 H57 Na O8 -","- C188 H228 Na4 O32 -","4","0.5","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","","1.54178","CuKα","","0.1277","0.0738","","","0.2201","0.2714","","","","","","1.04","","","","has coordinates,has disorder","288771","2024-01-06","07:40:21",""
"1570222","13.6941","0.0002","21.0294","0.0003","22.7326","0.0002","90","","90","","90","","6546.5","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C67 H96 Na2 O16 -","- C67 H96 Na2 O16 -","- C268 H384 Na8 O64 -","4","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","","1.54178","CuKα","","0.2595","0.175","","","0.3973","0.4689","","","","","","1.278","","","","has coordinates","288771","2024-01-06","07:40:24",""
"1570223","20.9133","0.0009","9.6671","0.0003","17.8849","0.0007","90","","112.375","0.0012","90","","3343.6","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H41 Cs O6 -","- C39 H41 Cs O6 -","- C156 H164 Cs4 O24 -","4","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","x-ray","0.41329","Synchrotron","","0.0294","0.0266","","","0.0542","0.0548","","","","","","1.132","","","","has coordinates,has disorder","288771","2024-01-06","07:40:30",""
"1570224","21.0136","0.001","12.7649","0.0006","21.1357","0.001","90","","118.744","0.002","90","","4970.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H64 Cs2 O12 -","- C51 H64 Cs2 O12 -","- C204 H256 Cs8 O48 -","4","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","","0.71073","MoKα","","0.0492","0.041","","","0.0731","0.0751","","","","","","1.334","","","","has coordinates,has disorder","288771","2024-01-06","07:40:31",""
"1570225","13.4467","0.0007","15.8867","0.0009","18.3239","0.001","90","","102.386","0.001","90","","3823.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C75 H111 K3 O21 -","- C71 H103 K3 O20 -","- C142 H206 K6 O40 -","2","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","x-ray","0.41328","synchrotron","","0.0953","0.0838","","","0.2536","0.2668","","","","","","1.043","","","","has coordinates,has disorder","288771","2024-01-06","07:40:33",""
"1570226","21.063","0.002","26.187","0.002","17.8488","0.0019","90","","90","","90","","9845","1.6","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- Co4 Fe2 H92 Na14 O114 W18 -","- Co4 Fe2 Na14 O114 W18 -","- Co16 Fe8 Na56 O456 W72 -","4","0.5","","Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang","Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.","Chemical science","2023","14","47","13722","13733","10.1039/d3sc04002j","","","0.71073","MoKα","","0.0819","0.0545","","","0.1078","0.1216","","","","","","1.199","","","","has coordinates","288749","2024-01-06","07:24:28",""
"1570227","12.2859","0.0006","13.663","0.0006","14.9308","0.0006","99.378","0.001","104.187","0.001","101.318","0.002","2323.17","0.18","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- Co4 Fe2 H75 Na14 O105.5 W18 -","- Co4 Fe2 H4 Na14 O105.5 W18 -","- Co4 Fe2 H4 Na14 O105.5 W18 -","1","0.5","","Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang","Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.","Chemical science","2023","14","47","13722","13733","10.1039/d3sc04002j","","","0.71073","MoKα","","0.095","0.057","","","0.125","0.1462","","","","","","1.057","","","","has coordinates,has disorder","288749","2024-01-06","07:24:29",""
"1570228","13.063","0.011","17.764","0.015","21.118","0.018","90","","93.152","0.009","90","","4893","7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Co5 H82 Na12 O109 W19 -","- Co5 Na12 O109 W19 -","- Co10 Na24 O218 W38 -","2","0.5","","Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang","Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.","Chemical science","2023","14","47","13722","13733","10.1039/d3sc04002j","","x-ray","0.71073","MoKα","","0.1152","0.057","","","0.1003","0.1167","","","","","","1.02","","","","has coordinates,has disorder","288749","2024-01-06","07:24:29",""
"1570229","26.056","0.003","20.996","0.003","17.747","0.002","90","","90","","90","","9709","2","100","2","100.01","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- Co4 Fe2 Na14 O97 W18 -","- Co4 Fe2 Na14 O95 W18 -","- Co16 Fe8 Na56 O380 W72 -","4","1","","Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang","Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.","Chemical science","2023","14","47","13722","13733","10.1039/d3sc04002j","","","0.71073","MoKα","","0.1452","0.0934","","","0.241","0.2896","","","","","","1.032","","","","has coordinates","288749","2024-01-06","07:24:29",""
"1570233","12.9649","0.0001","8.2585","0.0001","20.8574","0.0002","90","","106.928","0.001","90","","2136.45","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","2","","Rochet, Léa N C; Bahou, Calise; Wojciechowski, Jonathan P.; Koutsopetras, Ilias; Britton, Phyllida; Spears, Richard J.; Thanasi, Ioanna A.; Shao, Baihao; Zhong, Lisha; Bučar, Dejan-Krešimir; Aliev, Abil E.; Porter, Michael J.; Stevens, Molly M.; Baker, James R.; Chudasama, Vijay","Use of pyridazinediones for tuneable and reversible covalent cysteine modification applied to peptides, proteins and hydrogels.","Chemical science","2023","14","47","13743","13754","10.1039/d3sc04976k","","x-ray","1.54184","CuKα","","0.0372","0.0334","","","0.0909","0.0936","","","","","","1.045","","","","has coordinates","288752","2024-01-06","07:25:54",""
"1570235","10.1488","0.0005","13.7389","0.0007","15.2173","0.0008","68.135","0.002","83.265","0.002","86.091","0.002","1954.89","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 F2 O2 S -","- C22 H22 F2 O2 S -","- C88 H88 F8 O8 S4 -","4","2","","Midya, Suparnak; Hari, Durga Prasad","A highly diastereoselective strain-release Doyle-Kirmse reaction: access to functionalized difluoro(methylene)cyclopropanes.","Chemical science","2023","14","46","13560","13567","10.1039/d3sc04749k","","","0.71073","MoKα","","0.0499","0.0358","","","0.0899","0.0983","","","","","","1.034","","","","has coordinates","288736","2024-01-06","07:20:04",""
"1570236","10.8764","0.001","12.9635","0.0012","12.9906","0.0012","90","","92.134","0.004","90","","1830.4","0.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 F2 O2 Se -","- C20 H18 F2 O2 Se -","- C80 H72 F8 O8 Se4 -","4","1","","Midya, Suparnak; Hari, Durga Prasad","A highly diastereoselective strain-release Doyle-Kirmse reaction: access to functionalized difluoro(methylene)cyclopropanes.","Chemical science","2023","14","46","13560","13567","10.1039/d3sc04749k","","","0.71073","MoKα","","0.0296","0.027","","","0.0662","0.0674","","","","","","1.044","","","","has coordinates","288736","2024-01-06","07:20:05",""
"1570237","8.9783","0.0006","11.208","0.0006","15.2381","0.0006","91.733","0.004","97.302","0.005","97.178","0.005","1507.38","0.14","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H15 N -","- C20 H15 N -","- C80 H60 N4 -","4","2","","Ye, Changqing; Huang, Rui; Chiou, Mong-Feng; Wang, Bo; Li, Daliang; Bao, Hongli","Synthesis of a new fluorophore: wavelength-tunable bisbenzo[f]isoindolylidenes.","Chemical science","2023","14","45","13151","13158","10.1039/d3sc04445a","","x-ray","1.3405","GaKα","","0.0765","0.0562","","","0.1562","0.1754","","","","","","1.0116","","","","has coordinates","288767","2024-01-06","07:38:52",""
"1570238","11.8893","0.0009","6.3212","0.0005","18.6664","0.0015","90","","92.734","0.007","90","","1401.27","0.19","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N S -","- C19 H13 N S -","- C76 H52 N4 S4 -","4","1","","Ye, Changqing; Huang, Rui; Chiou, Mong-Feng; Wang, Bo; Li, Daliang; Bao, Hongli","Synthesis of a new fluorophore: wavelength-tunable bisbenzo[f]isoindolylidenes.","Chemical science","2023","14","45","13151","13158","10.1039/d3sc04445a","","x-ray","1.3405","GaKα","","0.0547","0.0415","","","0.1082","0.1151","","","","","","1.086","","","","has coordinates","288767","2024-01-06","07:38:52",""
"1570239","12.4695","0.0008","5.8013","0.0003","17.378","0.001","90","","101.414","0.006","90","","1232.25","0.13","299.22","0.19","299.22","0.19","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 N2 -","- C36 H22 N2 -","- C72 H44 N4 -","2","0.5","","Ye, Changqing; Huang, Rui; Chiou, Mong-Feng; Wang, Bo; Li, Daliang; Bao, Hongli","Synthesis of a new fluorophore: wavelength-tunable bisbenzo[f]isoindolylidenes.","Chemical science","2023","14","45","13151","13158","10.1039/d3sc04445a","","x-ray","1.3405","GaKα","","0.0937","0.0617","","","0.1756","0.2001","","","","","","1.015","","","","has coordinates","288767","2024-01-06","07:38:52",""
"1570240","19.1849","0.0011","8.0013","0.0004","21.2949","0.0013","90","","96.72","0.005","90","","3246.4","0.3","100.01","0.13","100.01","0.13","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H30 N2 -","- C48 H30 N2 -","- C192 H120 N8 -","4","1","","Ye, Changqing; Huang, Rui; Chiou, Mong-Feng; Wang, Bo; Li, Daliang; Bao, Hongli","Synthesis of a new fluorophore: wavelength-tunable bisbenzo[f]isoindolylidenes.","Chemical science","2023","14","45","13151","13158","10.1039/d3sc04445a","","x-ray","1.3405","GaKα","","0.0778","0.0557","","","0.1406","0.1627","","","","","","1.086","","","","has coordinates","288767","2024-01-06","07:38:52",""
"1570241","9.1808","0.0005","10.1345","0.0005","13.7708","0.0007","80.343","0.001","75.323","0.001","71.008","0.001","1166.89","0.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O4 -","- C32 H28 O4 -","- C64 H56 O8 -","2","1","","Hu, Fuqiang; Zhang, Cefei; Liu, Zhihao; Xie, Xinyu; Zhao, Xiaohu; Luo, Yanju; Fu, Jielin; Li, Baolin; Hu, Changwei; Su, Zhishan; Yu, Zhipeng","Photoswitchable and long-lived seven-membered cyclic singlet diradicals for the bioorthogonal photoclick reaction.","Chemical science","2023","14","45","13254","13264","10.1039/d3sc03675h","","","0.71073","MoKα","","0.0468","0.0422","","","0.0924","0.095","","","","","","1.126","","","","has coordinates","288083","2023-12-06","14:32:38",""
"1570242","13.4416","0.0017","16.332","0.002","15.0321","0.0019","90","","99.607","0.004","90","","3253.7","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H28 O6 -","- C44 H28 O6 -","- C176 H112 O24 -","4","1","","Hu, Fuqiang; Zhang, Cefei; Liu, Zhihao; Xie, Xinyu; Zhao, Xiaohu; Luo, Yanju; Fu, Jielin; Li, Baolin; Hu, Changwei; Su, Zhishan; Yu, Zhipeng","Photoswitchable and long-lived seven-membered cyclic singlet diradicals for the bioorthogonal photoclick reaction.","Chemical science","2023","14","45","13254","13264","10.1039/d3sc03675h","","","0.71073","MoKα","","0.0525","0.0376","","","0.0801","0.088","","","","","","1.063","","","","has coordinates","288083","2023-12-06","14:32:39",""
"1570253","10.2733","0.0002","10.3627","0.0002","13.3957","0.0003","90","","90","","90","","1426.09","0.05","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0342","0.0325","","","0.0849","0.0869","","","","","","1.066","","","","has coordinates","288742","2024-01-06","07:22:18",""
"1570254","12.4675","0.0009","21.6679","0.0015","9.6367","0.0006","90","","90","","90","","2603.3","0.3","296","2","296.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H31 O6.5 -","- C25 H31 O6.5 -","- C100 H124 O26 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0393","0.0369","","","0.1008","0.1031","","","","","","1.045","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570255","9.1977","0.0011","9.2073","0.0011","26.829","0.003","90","","90","","90","","2272","0.5","296","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0362","0.034","","","0.0925","0.0939","","","","","","1.037","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570256","9.1292","0.0006","9.1825","0.0006","26.703","0.0016","90","","90","","90","","2238.5","0.2","200","2","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.34139","GaKα","","0.0718","0.0546","","","0.1217","0.1352","","","","","","1.072","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570257","6.7959","0.0002","10.8224","0.0003","22.5827","0.0006","90","","90","","90","","1660.91","0.08","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O7 -","- C15 H26 O7 -","- C60 H104 O28 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.052","0.0456","","","0.1139","0.12","","","","","","1.051","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570258","6.4115","0.0005","6.9501","0.0005","15.4228","0.0012","90","","100.54","0.004","90","","675.65","0.09","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C30 H36 O8 -","2","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0332","0.032","","","0.0794","0.0807","","","","","","1.059","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570259","10.4619","0.0019","10.6895","0.0019","11.617","0.002","90","","90","","90","","1299.2","0.4","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0455","0.0438","","","0.1129","0.1151","","","","","","1.053","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570260","13.0969","0.0002","13.0969","0.0002","8.2344","0.0002","90","","90","","90","","1412.44","0.05","150","","150","","","","","","","","","3","P 43","P 4cw","78","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0274","0.0273","","","0.0716","0.0716","","","","","","1.07","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570261","12.2867","0.0014","21.497","0.003","9.6289","0.0011","90","","90","","90","","2543.3","0.5","173","2","172.99","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H31 O6.5 -","- C25 H31 O6.5 -","- C100 H124 O26 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.34139","GaKα","","0.0282","0.0278","","","0.0728","0.0733","","","","","","1.086","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570262","6.9481","0.0002","15.6259","0.0004","20.1605","0.0004","90","","90","","90","","2188.83","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0353","0.032","","","0.0738","0.0763","","","","","","1.049","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570263","14.1169","0.0007","42.662","0.004","21.4737","0.0017","90","","103.007","0.007","90","","12600.8","1.7","140.01","0.1","140.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H198 K2 N2 O31 Si6 U2 -","- C90 H198 K2 N2 O31 Si6 U2 -","- C360 H792 K8 N8 O124 Si24 U8 -","4","1","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","1.54184","CuKα","","0.2142","0.1184","","","0.2749","0.3568","","","","","","1.027","","","","has coordinates","288738","2024-01-06","07:21:15",""
"1570264","18.1765","0.0003","24.9651","0.0005","32.6981","0.0006","90","","90.4373","0.0017","90","","14837.3","0.5","140","0.1","140","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C112 H242 K2.8 N4 O42.8 Si7.2 U2.54 -","- C112 H242 K2.8 N4 O42.8 Si7.2 U2.54 -","- C448 H968 K11.2 N16 O171.2 Si28.8 U10.16 -","4","0.5","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","0.71073","MoKα","","0.1323","0.0939","","","0.2434","0.2752","","","","","","1.031","","","","has coordinates,has disorder","288738","2024-01-06","07:21:25",""
"1570265","13.8351","0.0007","31.0417","0.0009","14.2077","0.0006","90","","118.24","0.006","90","","5375.4","0.5","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H162 K O25 Si6 U2 -","- C72 H162 K O25 Si6 U2 -","- C144 H324 K2 O50 Si12 U4 -","2","1","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","0.71073","MoKα","","0.0693","0.0498","","","0.1094","0.1132","","","","","","0.969","","","","has coordinates,has disorder","288738","2024-01-06","07:21:35",""
"1570266","14.1801","0.0002","29.9313","0.0006","33.7708","0.0006","90","","93.6381","0.0018","90","","14304.4","0.4","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97 H206 K2.7 N4 O31 Si6 U2 -","- C97 H206 K2.7 N4 O31 Si6 U2 -","- C388 H824 K10.8 N16 O124 Si24 U8 -","4","1","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","1.54184","CuKα","","0.1299","0.0714","","","0.1696","0.2065","","","","","","1.011","","","","has coordinates,has disorder","288738","2024-01-06","07:21:36",""
"1570267","16.3644","0.0003","30.3735","0.0006","32.886","0.0006","111.001","0.0018","94.4333","0.0017","104.113","0.0018","14552.5","0.5","139.99","0.1","139.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C96 H207 K2 N6 O33 Si5 U2 -","- C96 H207 K2 N6 O33 Si5 U2 -","- C384 H828 K8 N24 O132 Si20 U8 -","4","2","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","1.54184","CuKα","","0.1068","0.0588","","","0.1401","0.1538","","","","","","0.928","","","","has coordinates","288738","2024-01-06","07:21:36",""
"1570268","13.35","0.004","13.35","0.004","7.308","0.004","90","","90","","120","","1128","0.8","293","2","293","2","","","","","","","","4","P -3","-P 3","147","Cd5P2SmCl7","","","- Cd5 Cl7 P2 Sm -","- Cd5 Cl7 P2 Sm -","- Cd15 Cl21 P6 Sm3 -","3","0.5","","Qiu, Zhi-Xin; Zheng, Zhe-Xiong; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd4P2][CdBr4].","Chemical science","2023","14","46","13568","13573","10.1039/d3sc04818g","","","0.71073","MoKα","","0.0786","0.0611","","","0.1643","0.181","","","","","","1.005","","","","has coordinates","288739","2024-01-06","07:21:43",""
"1570269","12.1965","0.0008","13.6691","0.001","7.7077","0.0007","90","","90","","90","","1284.99","0.17","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Cd5P2Br4","","","- Br4 Cd5 P2 -","- Br4 Cd5 P2 -","- Br16 Cd20 P8 -","4","1","","Qiu, Zhi-Xin; Zheng, Zhe-Xiong; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd4P2][CdBr4].","Chemical science","2023","14","46","13568","13573","10.1039/d3sc04818g","","","0.71073","MoKα","","0.0479","0.0451","","","0.132","0.1338","","","","","","0.999","","","","has coordinates","288739","2024-01-06","07:21:44",""
"1570287","13.5356","0.0006","14.1129","0.0005","17.7477","0.0006","79.806","0.003","77.865","0.003","69.445","0.004","3083.7","0.2","99.98","0.12","99.98","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C53 H18 Cl2 F40 Sb4 -","- C53 H18 Cl2 F40 Sb4 -","- C106 H36 Cl4 F80 Sb8 -","2","1","","Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid.","Chemical science","2023","14","46","13551","13559","10.1039/d3sc04594c","","x-ray","0.71073","MoKα","","0.0815","0.0543","","","0.126","0.1428","","","","","","1.057","","","","has coordinates,has disorder","288743","2024-01-06","07:22:42",""
"1570288","15.7731","0.0002","21.2235","0.0004","22.9543","0.0004","90","","102.695","0.002","90","","7496.3","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H40 Cl F40 N Sb4 -","- C68 H40 Cl F40 N Sb4 -","- C272 H160 Cl4 F160 N4 Sb16 -","4","1","","Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid.","Chemical science","2023","14","46","13551","13559","10.1039/d3sc04594c","","x-ray","0.71073","MoKα","","0.0988","0.0885","","","0.2426","0.253","","","","","","1.058","","","","has coordinates,has disorder","288743","2024-01-06","07:22:47",""
"1570289","13.1683","0.0002","15.0933","0.0002","22.5113","0.0003","72.1222","0.0014","78.1365","0.0013","83.5967","0.0013","4161.56","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H55 F40 I N Sb4 -","- C74 H58 F40 I N Sb4 -","- C148 H116 F80 I2 N2 Sb8 -","2","1","","Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid.","Chemical science","2023","14","46","13551","13559","10.1039/d3sc04594c","","x-ray","0.71073","MoKα","","0.0417","0.0337","","","0.0819","0.086","","","","","","1.05","","","","has coordinates,has disorder","288743","2024-01-06","07:22:50",""
"1570290","15.9954","0.0005","19.9387","0.0005","26.1599","0.0006","90","","103.584","0.002","90","","8109.7","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H58 Br F40 N Sb4 -","- C74 H58 Br F40 N Sb4 -","- C296 H232 Br4 F160 N4 Sb16 -","4","1","","Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid.","Chemical science","2023","14","46","13551","13559","10.1039/d3sc04594c","","","0.71073","MoKα","","0.0793","0.0539","","","0.1284","0.1455","","","","","","1.059","","","","has coordinates","288743","2024-01-06","07:22:50",""
"1570291","9.21813","0.00019","19.4553","0.0003","8.39007","0.00017","90","","108.89","0.002","90","","1423.65","0.05","100","0.13","100","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F2 N2 -","- C18 H13 F2 N2 -","- C72 H52 F8 N8 -","4","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0445","0.0375","","","0.0984","0.1028","","","","","","1.052","","","","has coordinates","288751","2024-01-06","07:25:30",""
"1570292","6.7353","0.0003","11.3696","0.0005","16.8733","0.0008","70.393","0.004","86.036","0.004","79.883","0.004","1198.2","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 F4 N3 -","- C28 H25 F4 N3 -","- C56 H50 F8 N6 -","2","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0571","0.0493","","","0.1331","0.1413","","","","","","1.034","","","","has coordinates","288751","2024-01-06","07:25:41",""
"1570293","6.6187","0.0002","9.1334","0.0003","16.8821","0.0005","95.636","0.003","94.087","0.002","94.166","0.003","1009.76","0.05","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H17 N5 -","- C26 H17 N5 -","- C52 H34 N10 -","2","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0853","0.0786","","","0.2065","0.2183","","","","","","1.051","","","","has coordinates","288751","2024-01-06","07:25:44",""
"1570294","14.0212","0.0003","8.3368","0.0002","15.4457","0.0004","90","","100.715","0.002","90","","1774","0.07","99.97","0.12","99.97","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 F4 N2 -","- C24 H10 F4 N2 -","- C96 H40 F16 N8 -","4","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0604","0.0557","","","0.1459","0.1485","","","","","","1.086","","","","has coordinates","288751","2024-01-06","07:25:44",""
"1570295","14.2576","0.0002","29.1258","0.0004","9.4692","0.0001","90","","93.636","0.001","90","","3924.3","0.09","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 N5 -","- C24 H15 N5 -","- C192 H120 N40 -","8","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0557","0.0489","","","0.142","0.1497","","","","","","1.043","","","","has coordinates","288751","2024-01-06","07:25:44",""
"1570296","9.2342","0.0003","19.7739","0.0004","8.5738","0.0003","90","","107.396","0.003","90","","1493.94","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F2 N2 -","- C18 H13 F2 N2 -","- C72 H52 F8 N8 -","4","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0426","0.0379","","","0.1091","0.1132","","","","","","1.076","","","","has coordinates","288751","2024-01-06","07:25:46",""
"1570301","30.2193","0.0013","12.6557","0.0005","14.4652","0.0006","90","","115.12","0.0014","90","","5008.9","0.4","130","","130","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H50 Ir2 N6 O2 -","- C64 H50 Ir2 N6 O2 -","- C256 H200 Ir8 N24 O8 -","4","0.5","","Pander, Piotr; Zaytsev, Andrey V.; Sil, Amit; Baryshnikov, Glib V.; Siddique, Farhan; Williams, J. A. Gareth; Dias, Fernando B.; Kozhevnikov, Valery N.","Thermally activated delayed fluorescence in a deep red dinuclear iridium(iii) complex: a hidden mechanism for short luminescence lifetimes.","Chemical science","2023","14","47","13934","13943","10.1039/d3sc04450e","","x-ray","0.71073","MoKα","","0.0765","0.0416","","","0.0694","0.079","","","","","","1.03","","","","has coordinates","288747","2024-01-06","07:24:06",""
"1570312","8.4966","0.0003","24.315","0.0008","19.5124","0.0006","90","","98.653","0.002","90","","3985.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Cl4 Ge2 N P2 -","- C38 H47 Cl4 Ge2 N P2 -","- C152 H188 Cl16 Ge8 N4 P8 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","1.54178","CuKα","","0.0721","0.0659","","","0.1407","0.1435","","","","","","1.174","","","","has coordinates,has disorder","288746","2024-01-06","07:23:56",""
"1570313","17.954","0.004","9.494","0.002","26.01","0.005","90","0.03","102.93","0.03","90","0.03","4321.1","1.6","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C38 H46 Cl3 F3 Ge O3 P2 S -","- C38 H46 Cl3 F3 Ge O3 P2 S -","- C152 H184 Cl12 F12 Ge4 O12 P8 S4 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.0911","0.0484","","","0.1052","0.1234","","","","","","1.025","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570314","11.7903","0.0011","13.0614","0.0011","15.765","0.0014","70.049","0.002","85.111","0.003","75.622","0.003","2210.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H52 F6 Ge O7 P2 S2 -","- C42 H52 F6 Ge O7 P2 S2 -","- C84 H104 F12 Ge2 O14 P4 S4 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1232","0.0763","","","0.1602","0.1883","","","","","","1.03","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570315","17.3764","0.0016","9.2749","0.0009","25.485","0.002","90","","103.688","0.003","90","","3990.6","0.6","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C41 H52 F4 Ge O4 P2 S -","- C41 H52 F4 Ge O4 P2 S -","- C164 H208 F16 Ge4 O16 P8 S4 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","1.54178","CuKα","","0.0437","0.0307","","","0.0767","0.0789","","","","","","1.05","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570316","15.128","0.004","10.41","0.003","29.642","0.008","90","","102.314","0.008","90","","4561","2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C53 H44 Cl F3 Ge O4 P2 S -","- C53 H44 Cl F3 Ge O4 P2 S -","- C212 H176 Cl4 F12 Ge4 O16 P8 S4 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.0522","0.0492","","","0.1183","0.1202","","","","","","1.09","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570317","13.481","0.003","9.414","0.002","21.087","0.004","90","","96.178","0.007","90","","2660.6","1","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C53 H77 F3 Ge O7 P2 S -","- C53 H77 F3 Ge O7 P2 S -","- C106 H154 F6 Ge2 O14 P4 S2 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1244","0.0561","","","0.1493","0.1805","","","","","","1.052","","","","has coordinates,has disorder","288746","2024-01-06","07:23:56",""
"1570318","22.1656","0.0019","10.1752","0.0009","20.7492","0.0017","90","","102.393","0.003","90","","4570.7","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cl2 Ge O2 P2 -","- C56 H52 Cl2 Ge O2 P2 -","- C224 H208 Cl8 Ge4 O8 P8 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","1.54178","CuKα","","0.0413","0.0379","","","0.0978","0.1007","","","","","","1.043","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570319","21.183","0.006","14.414","0.004","16.645","0.004","90","","96.823","0.009","90","","5046","2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 Cl4 F6 Ge O6 P2 S2 -","- C52 H40 Cl4 F6 Ge O6 P2 S2 -","- C208 H160 Cl16 F24 Ge4 O24 P8 S8 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.0597","0.0472","","","0.1241","0.1322","","","","","","1.029","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570320","13.652","0.003","15.573","0.003","16.333","0.003","79.755","0.006","79.751","0.006","71.778","0.006","3217.8","1.1","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C66 H60 Cl4 F6 Ge N4 O6 P2 S2 -","- C66 H60 Cl4 F6 Ge N4 O6 P2 S2 -","- C132 H120 Cl8 F12 Ge2 N8 O12 P4 S4 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.129","0.0722","","","0.1826","0.2102","","","","","","1.053","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570321","11.025","0.006","13.376","0.008","14.809","0.008","99.098","0.016","91.984","0.015","102.355","0.019","2101","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H38 Ge P2 -","- C55 H38 Ge P2 -","- C110 H76 Ge2 P4 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.0907","0.0525","","","0.104","0.1168","","","","","","1.018","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570322","9.896","0.005","15.315","0.008","17.58","0.008","105.27","0.013","93.87","0.014","100.521","0.014","2508","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58.01 H44 F6.03 Ge O8.03 P2 S2.01 -","- C58.012 H44 F6.036 Ge O8.036 P2 S2.012 -","- C116.024 H88 F12.072 Ge2 O16.072 P4 S4.024 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1962","0.1035","","","0.2554","0.3296","","","","","","1.041","","","","has coordinates,has disorder","288746","2024-01-06","07:23:56",""
"1570323","11.282","0.011","30.08","0.03","15.527","0.016","90","","102.04","0.03","90","","5153","9","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C47 H58 Cl4 F6 Ge N2 O6 P2 S2 -","- C47 H58 Cl4 F6 Ge N2 O6 P2 S2 -","- C188 H232 Cl16 F24 Ge4 N8 O24 P8 S8 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1293","0.0933","","","0.2238","0.2506","","","","","","1.029","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570324","10.046","0.003","18.494","0.006","23.535","0.008","90","","97.484","0.012","90","","4335","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H36 F4 Ge O3 P2 S -","- C49 H36 F4 Ge O3 P2 S -","- C196 H144 F16 Ge4 O12 P8 S4 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.0776","0.0441","","","0.0998","0.1135","","","","","","1.05","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570325","12.221","0.003","18.49","0.004","16.895","0.004","90","","93.001","0.008","90","","3812.5","1.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Ge P2 -","- C50 H42 Ge P2 -","- C200 H168 Ge4 P8 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.044","0.0356","","","0.0901","0.0951","","","","","","1.007","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570326","12.192","0.002","21.924","0.004","18.159","0.004","90","0.03","103.59","0.03","90","0.03","4718","1.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 F3 Ge O4 P2 S -","- C55 H49 F3 Ge O4 P2 S -","- C220 H196 F12 Ge4 O16 P8 S4 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.048","0.0383","","","0.0938","0.1006","","","","","","1.054","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570327","47.155","0.009","13.05","0.003","19.811","0.004","90","","100.229","0.005","90","","11997","4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H53 Cl4 F6 Ge O7 P3 S2 -","- C58 H53 Cl4 F6 Ge O7 P3 S2 -","- C464 H424 Cl32 F48 Ge8 O56 P24 S16 -","8","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1761","0.0992","","","0.1888","0.2198","","","","","","1.083","","","","has coordinates,has disorder","288746","2024-01-06","07:23:56",""
"1570328","6.7822","0.0001","15.6869","0.0003","6.8577","0.0001","90","","108.443","0.001","90","","692.13","0.02","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H10 F N O6 S -","- C13 H10 F N O6 S -","- C26 H20 F2 N2 O12 S2 -","2","1","","Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan","para-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination.","Chemical science","2023","14","46","13574","13580","10.1039/d3sc05952a","","single crystal","1.54178","CuKα","","0.0267","0.0264","","","0.067","0.0672","","","","","","1.067","","","","has coordinates","288744","2024-01-06","07:23:02",""
"1570329","6.4447","0.0002","9.8276","0.0003","12.3314","0.0004","90","","90","","90","","781.02","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 Br F O3 -","- C7 H6 Br F O3 -","- C28 H24 Br4 F4 O12 -","4","1","","Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan","para-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination.","Chemical science","2023","14","46","13574","13580","10.1039/d3sc05952a","","x-ray","1.54178","CuKα","","0.0139","0.0138","","","0.0351","0.0352","","","","","","1.084","","","","has coordinates","288744","2024-01-06","07:23:05",""
"1570330","8.6997","0.0004","15.8634","0.0008","6.6702","0.0004","90","","102.677","0.002","90","","898.09","0.08","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Br F O2 -","- C8 H10 Br F O2 -","- C32 H40 Br4 F4 O8 -","4","1","","Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan","para-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination.","Chemical science","2023","14","46","13574","13580","10.1039/d3sc05952a","","x-ray","1.54178","CuKα","","0.035","0.031","","","0.0694","0.0714","","","","","","1.042","","","","has coordinates","288744","2024-01-06","07:23:05",""
"1570331","7.0038","0.0001","15.9234","0.0002","28.8087","0.0004","90","","90","","90","","3212.87","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 I N2 O10 -","- C26 H33 I N2 O10 -","- C104 H132 I4 N8 O40 -","4","1","","Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan","para-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination.","Chemical science","2023","14","46","13574","13580","10.1039/d3sc05952a","","single crystal","1.54178","CuKα","","0.0305","0.0285","","","0.071","0.0721","","","","","","1.064","","","","has coordinates,has disorder","288744","2024-01-06","07:23:05",""
"1570332","3.805","","16.987","","3.023","","90","","90","","90","","195.393","","293","","293","","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Na1.96 O6 Ti2.6 -","- Na0.49 O6 Ti1.3 -","- Na0.49 O6 Ti1.3 -","1","0.125","","Ma, Xuanao; Liu, Yang; Zhang, Yunhuai; Gong, Yun","Layered sodium titanate with a matched lattice: a single ion conductor in a solid-state sodium metal battery.","Chemical science","2023","14","47","13812","13824","10.1039/d3sc04355j","","","1.5406","CuKα","","0.0757","0.0757","","0.0895","0.0895","","","","0.957","0.957","0.957","","","","","has coordinates","288745","2024-01-06","07:23:18",""
"1570333","12.7357","0.0008","9.9509","0.0006","6.8757","0.0004","90","","104.845","0.003","90","","842.28","0.09","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","difluoromesitylborane","","- C9 H11 B F2 -","- C9 H11 B F2 -","- C36 H44 B4 F8 -","4","0.5","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","x-ray","1.34139","GaKα","","0.0262","0.0214","","","0.0537","0.0565","","","","","","1.0718","","","","has coordinates,has disorder","288759","2024-01-06","07:30:18",""
"1570334","7.7689","0.0003","15.8453","0.0006","6.9825","0.0003","90","","106.825","0.002","90","","822.76","0.06","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","difluoro(1-naphthyl)borane","","- C10 H7 B F2 -","- C10 H7 B F2 -","- C40 H28 B4 F8 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.34139","synchrotron","","0.0581","0.0442","","","0.112","0.1197","","","","","","1.081","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570335","6.5423","0.0005","4.7676","0.0003","14.5152","0.0012","90","","102.811","0.005","90","","441.47","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-bis(difluoroboryl)-1,4-dimethylbenzene","","- C8 H8 B2 F4 -","- C8 H8 B2 F4 -","- C16 H16 B4 F8 -","2","0.5","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.3418","synchrotron","","0.0447","0.0279","","","0.0535","0.059","","","","","","1.1129","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570336","6.0599","0.0004","9.1583","0.0006","10.5791","0.0007","66.23","0.004","84.512","0.004","72.336","0.004","511.75","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","difluoro(2,3,4,5,6-pentamethylphenyl)borane","","- C11 H15 B F2 -","- C11 H15 B F2 -","- C22 H30 B2 F4 -","2","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","x-ray","1.34139","GaKα","","0.0585","0.0413","","","0.115","0.1294","","","","","","1.0825","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570337","8.6301","0.0003","8.5219","0.0003","13.3072","0.0005","90","","99.458","0.001","90","","965.37","0.06","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","5-acenaphthyldifluoroborane","","- C12 H9 B F2 -","- C12 H9 B F2 -","- C48 H36 B4 F8 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","x-ray","1.34139","GaKα","","0.0346","0.0326","","","0.0891","0.0904","","","","","","1.076","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570338","8.3362","0.001","8.4445","0.001","12.8453","0.0015","87.107","0.005","82.251","0.005","65.001","0.005","812.03","0.17","150","","150","","","","","","","","","4","P -1","-P 1","2","","(5-acenaphthyl)fluoro(mesityl)borane","","- C21 H20 B F -","- C21 H20 B F -","- C42 H40 B2 F2 -","2","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","x-ray","1.34139","GaKα","","0.1048","0.0691","","","0.1912","0.2144","","","","","","0.9942","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570339","6.0446","0.0002","6.0112","0.0002","14.2458","0.0005","90","","94.653","0.002","90","","515.92","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-anthryldifluoroborane","","- C14 H9 B F2 -","- C14 H9 B F2 -","- C28 H18 B2 F4 -","2","0.5","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","x-ray","1.34139","GaKα","","0.0311","0.0229","","","0.0432","0.0451","","","","","","1.2998","","","","has coordinates,has disorder","288759","2024-01-06","07:30:19",""
"1570340","10.7719","0.0003","7.1215","0.0002","20.5604","0.0006","90","","90","","90","","1577.23","0.08","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","benzo[b]thien-2-yldifluoroborane","","- C8 H5 B F2 S -","- C8 H5 B F2 S -","- C64 H40 B8 F16 S8 -","8","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.34139","GaKα","","0.0262","0.018","","","0.0361","0.0387","","","","","","1.0783","","","","has coordinates,has disorder","288759","2024-01-06","07:30:19",""
"1570341","18.0452","0.0005","7.7356","0.0002","17.4913","0.0005","90","","102.054","0.002","90","","2387.78","0.11","298","2","298.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","di-1-naphthyl(2,3,4,5,6-pentamethylphenyl)borane","","- C31 H29 B -","- C31 H29 B -","- C124 H116 B4 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.1051","0.0739","","","0.2226","0.2623","","","","","","0.9991","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570342","9.2702","0.0004","10.5154","0.0004","12.0275","0.0005","90","","90","","90","","1172.44","0.08","298","2","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","boron tribromide - N,N-dimethylaniline","","- C8 H11 B Br3 N -","- C8 H11 B Br3 N -","- C32 H44 B4 Br12 N4 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.032","0.0302","","","0.0713","0.0729","","","","","","1.0378","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570343","10.1157","0.0003","10.318","0.0003","12.9562","0.0004","91.817","0.002","104.952","0.002","109.094","0.002","1224.6","0.07","298.15","","298.15","","","","","","","","","3","P -1","-P 1","2","","mesityl(1-naphthyl)(2,3,4,5,6-pentamethylphenyl)borane","","- C30 H33 B -","- C30 H33 B -","- C60 H66 B2 -","2","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.0961","0.07","","","0.2195","0.2649","","","","","","1.0601","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570344","14.178","0.0003","12.384","0.0003","19.5169","0.0004","90","","90","","90","","3426.78","0.13","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","boron tribromide - N,N-dimethyl-4-trimethylsilylaniline","","- C11 H19 B Br3 N Si -","- C11 H19 B Br3 N Si -","- C88 H152 B8 Br24 N8 Si8 -","8","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.0446","0.0384","","","0.0926","0.102","","","","","","1.0599","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570345","8.6399","0.0004","25.3455","0.0011","8.6121","0.0003","90","","114.716","0.002","90","","1713.14","0.13","273","2","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","fluoro(mesityl)(2,3,4,5,6-pentamethylphenyl)borane","","- C20 H26 B F -","- C20 H26 B F -","- C80 H104 B4 F4 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.34139","synchrotron","","0.0458","0.041","","","0.106","0.1093","","","","","","1.0411","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570346","31.0228","0.0011","7.557","0.0003","18.3028","0.0008","90","","97.668","0.003","90","","4252.5","0.3","298","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-bis[5-acenaphthyl(mesityl)boryl]ferrocene - fluorobenzene (1:0.5)","","- C55 H50.5 B2 F0.5 Fe -","- C52 H48 B2 Fe -","- C208 H192 B8 Fe4 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.1351","0.0619","","","0.147","0.1979","","","","","","0.9696","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570347","12.1606","0.0003","15.186","0.0004","16.3042","0.0004","90","","90.497","0.0013","90","","3010.8","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 Ga N5 -","- C28 H44 Cl2 Ga N5 -","- C112 H176 Cl8 Ga4 N20 -","4","1","","Parsons, Leo W. T.; Fettinger, James C.; Berben, Louise A.","Group 13 ion coordination to pyridyl breaks the reduction potential vs. hydricity scaling relationship for dihydropyridinates.","Chemical science","2023","14","47","13944","13950","10.1039/d3sc03806h","","","1.54178","CuKα","","0.0473","0.0399","","","0.1048","0.1107","","","","","","1.038","","","","has coordinates,has disorder","288750","2024-01-06","07:24:44",""
"1570348","13.1613","0.0011","13.2286","0.0011","15.7223","0.0013","90","","93.54","0.002","90","","2732.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 Cl2 Ga N5 -","- C25 H38 Cl2 Ga N5 -","- C100 H152 Cl8 Ga4 N20 -","4","1","","Parsons, Leo W. T.; Fettinger, James C.; Berben, Louise A.","Group 13 ion coordination to pyridyl breaks the reduction potential vs. hydricity scaling relationship for dihydropyridinates.","Chemical science","2023","14","47","13944","13950","10.1039/d3sc03806h","","","0.71073","MoKα","","0.0219","0.0203","","","0.053","0.0538","","","","","","1.057","","","","has coordinates","288750","2024-01-06","07:24:47",""
"1570350","10.2398","0.0004","15.3856","0.0006","12.1399","0.0004","90","","102.111","0.003","90","","1870.02","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Cl2 N8 Ni2 O9 -","- C32 H52 Cl2 N8 Ni2 O9 -","- C64 H104 Cl4 N16 Ni4 O18 -","2","0.5","","Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun","Improving the potential of paraCEST through magnetic-coupling induced line sharpening.","Chemical science","2023","14","48","14157","14165","10.1039/d3sc04770a","","","0.71073","MoKα","","0.0695","0.0564","","","0.1629","0.1715","","","","","","1.055","","","","has coordinates,has disorder","288761","2024-01-06","07:30:46",""
"1570351","15.3815","0.0005","18.3733","0.0004","16.725","0.0005","90","","111.493","0.003","90","","4398","0.2","99.85","0.1","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H62 N8 Ni2 O13 -","- C38 H62 N8 Ni2 O13 -","- C152 H248 N32 Ni8 O52 -","4","0.5","","Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun","Improving the potential of paraCEST through magnetic-coupling induced line sharpening.","Chemical science","2023","14","48","14157","14165","10.1039/d3sc04770a","","","0.71073","MoKα","","0.038","0.035","","","0.0865","0.0882","","","","","","1.06","","","","has coordinates,has disorder","288761","2024-01-06","07:30:46",""
"1570352","29.4737","0.0012","14.7532","0.0005","20.5922","0.0008","90","","103.741","0.004","90","","8697.9","0.6","100","0.1","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H48 Br Ga N8 Ni O7 -","- C33 H48 Br Ga N8 Ni O7 -","- C264 H384 Br8 Ga8 N64 Ni8 O56 -","8","1","","Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun","Improving the potential of paraCEST through magnetic-coupling induced line sharpening.","Chemical science","2023","14","48","14157","14165","10.1039/d3sc04770a","","","0.71073","MoKα","","0.0646","0.0462","","","0.118","0.1254","","","","","","1.021","","","","has coordinates,has disorder","288761","2024-01-06","07:30:46",""
"1570353","13.6255","0.0005","28.1927","0.0011","22.8261","0.0009","90","","101.761","0.001","90","","8584.3","0.6","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H48 B2 F24 N2 P4 W -","- C82 H48 B2 F24 N2 P4 W -","- C328 H192 B8 F96 N8 P16 W4 -","4","1","","Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine","An orbitally adapted push-pull template for N2 activation and reduction to diazene-diide.","Chemical science","2023","14","48","14262","14270","10.1039/d3sc04390h","","x-ray","0.71073","MoKα","","0.0474","0.0349","","","0.0852","0.0926","","","","","","1.117","","","","has coordinates","288763","2024-01-06","07:31:45",""
"1570354","12.833","0.003","24.785","0.005","19.899","0.004","90","","91.015","0.007","90","","6328","2","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H59 B2 F24 N4 P4 W -","- C60 H59 B2 F24 N4 P4 W -","- C240 H236 B8 F96 N16 P16 W4 -","4","1","","Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine","An orbitally adapted push-pull template for N2 activation and reduction to diazene-diide.","Chemical science","2023","14","48","14262","14270","10.1039/d3sc04390h","","x-ray","0.71073","MoKα","","0.0833","0.0625","","","0.1356","0.1437","","","","","","1.133","","","","has coordinates,has disorder","288763","2024-01-06","07:31:55",""
"1570355","15.1504","0.0009","23.4318","0.0015","19.2226","0.0011","90","","93.953","0.002","90","","6807.8","0.7","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 B2 F27 N5 O P4 W -","- C54 H56 B2 F24 N2 O P4 W -","- C216 H224 B8 F96 N8 O4 P16 W4 -","4","1","","Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine","An orbitally adapted push-pull template for N2 activation and reduction to diazene-diide.","Chemical science","2023","14","48","14262","14270","10.1039/d3sc04390h","","x-ray","0.71073","MoKα","","0.1065","0.0821","","","0.1939","0.2199","","","","","","1.096","","","","has coordinates","288763","2024-01-06","07:31:58",""
"1570356","10.9692","0.00003","20.0639","0.00004","20.4791","0.00004","90","","101.51","0.003","90","","4416.5","0.05","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 B F15 N2 P4 W -","- C38 H50 B F15 N2 P4 W -","- C152 H200 B4 F60 N8 P16 W4 -","4","1","","Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine","An orbitally adapted push-pull template for N2 activation and reduction to diazene-diide.","Chemical science","2023","14","48","14262","14270","10.1039/d3sc04390h","","","0.71073","MoKα","","0.0254","0.0201","","0.0737","0.051","0.0473","","","","","","0.9933","","","","has coordinates","288763","2024-01-06","07:32:01",""
"1570357","20.1462","0.0011","11.8225","0.0006","22.9963","0.0012","90","","92.163","0.002","90","","5473.3","0.5","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 B2 F24 N2 P4 W -","- C50 H50 B2 F24 N2 P4 W -","- C200 H200 B8 F96 N8 P16 W4 -","4","1","","Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine","An orbitally adapted push-pull template for N2 activation and reduction to diazene-diide.","Chemical science","2023","14","48","14262","14270","10.1039/d3sc04390h","","x-ray","0.71073","MoKα","","0.0256","0.0217","","","0.0525","0.0541","","","","","","1.087","","","","has coordinates","288763","2024-01-06","07:32:11",""
"1570358","9.15002","0.00004","14.0725","0.00007","14.39225","0.00007","90","","90","","90","","1853.2","0.015","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F3 N O4 -","- C19 H22 F3 N O4 -","- C76 H88 F12 N4 O16 -","4","1","","Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D.","Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters.","Chemical science","2023","14","48","14146","14156","10.1039/d3sc05470e","","x-ray","1.54184","CuKα","","0.0316","0.0315","","","0.0825","0.0826","","","","","","1.105","","","","has coordinates","288753","2024-01-06","07:26:14",""
"1570359","9.32874","0.00006","14.9932","0.00009","16.18409","0.00011","90","","90","","90","","2263.63","0.03","125","","125","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl F2 N2 O5 -","- C23 H21 Cl F2 N2 O5 -","- C92 H84 Cl4 F8 N8 O20 -","4","1","","Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D.","Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters.","Chemical science","2023","14","48","14146","14156","10.1039/d3sc05470e","","x-ray","1.54184","CuKα","","0.0257","0.0254","","","0.0676","0.0678","","","","","","1.047","","","","has coordinates","288753","2024-01-06","07:26:24",""
"1570360","9.9425","0.0002","18.8834","0.0003","22.242","0.0004","90","","90","","90","","4175.9","0.13","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F3 N O4 -","- C23 H22 F3 N O4 -","- C184 H176 F24 N8 O32 -","8","2","","Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D.","Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters.","Chemical science","2023","14","48","14146","14156","10.1039/d3sc05470e","","x-ray","1.54184","CuKα","","0.0263","0.0257","","","0.0673","0.0677","","","","","","1.014","","","","has coordinates","288753","2024-01-06","07:26:27",""
"1570361","8.8576","0.0001","32.2146","0.0004","31.0202","0.0003","90","","92.363","0.001","90","","8843.9","0.17","93","3","93","3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 F6 N4 O Pt2 S -","- C52 H36 F6 N4 O Pt2 S -","- C416 H288 F48 N32 O8 Pt16 S8 -","8","2","","Hashimoto, Yoshihisa; Katagiri, Yuri; Tanaka, Yuya; Yoshizawa, Michito","Solution-state mechanochromic luminescence of Pt(ii)-complexes displayed within micellar aromatic capsules.","Chemical science","2023","14","48","14211","14216","10.1039/d3sc04613c","","x-ray","1.54184","CuKα","","0.047","0.0433","","","0.1144","0.1162","","","","","","1.126","","","","has coordinates,has disorder","288758","2024-01-06","07:28:54",""
"1570370","10.8925","0.0004","19.7704","0.0007","15.6033","0.0005","90","","109.867","0.001","90","","3160.17","0.19","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H53 B O2 Sn -","- C32 H53 B O2 Sn -","- C128 H212 B4 O8 Sn4 -","4","2","","Binayeva, Meruyert; Ma, Xinghua; Ghaemimohammadi, Pejman; Biscoe, Mark R.","A general approach to stereospecific Pd-catalyzed cross-coupling reactions of benzylic stereocenters.","Chemical science","2023","14","48","14124","14130","10.1039/d3sc04519f","","","1.54178","CuKα","","0.0557","0.0553","","","0.1404","0.1407","","","","","","1.052","","","","has coordinates","288760","2024-01-06","07:30:29",""
"1570371","14.3651","0.0005","14.91024","0.00015","13.24655","0.00015","90","","117.406","0.004","90","","2518.81","0.13","293","","293","","","","","","","","","6","A 1 n 1","A -2yab","9","","","","- C16 H18 Mn N8 O6 S2 -","- C16 H18 Mn N8 O6.5 S2 -","- C64 H72 Mn4 N32 O26 S8 -","4","1","","Lupa-Myszkowska, Magdalena; Oszajca, Marcin; Matoga, Dariusz","From non-conductive MOF to proton-conducting metal-HOFs: a new class of reversible transformations induced by solvent-free mechanochemistry.","Chemical science","2023","14","48","14176","14181","10.1039/d3sc04401g","powder diffraction","x-ray","1.54187","CuKα","","0.0806","0.0656","","0.0545","0.0524","","","","1.5113","","","","","","","has coordinates","288755","2024-01-06","07:27:08",""
"1570372","10.4862","0.0003","15.4994","0.0003","7.56251","0.00018","90","","98.534","0.003","90","","1215.52","0.05","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Mn N6 O6 S2 -","- C16 H20 Mn N6 O6.5 S2 -","- C32 H40 Mn2 N12 O13 S4 -","2","0.5","","Lupa-Myszkowska, Magdalena; Oszajca, Marcin; Matoga, Dariusz","From non-conductive MOF to proton-conducting metal-HOFs: a new class of reversible transformations induced by solvent-free mechanochemistry.","Chemical science","2023","14","48","14176","14181","10.1039/d3sc04401g","powder diffraction","x-ray","1.54187","CuKα","","0.1137","0.0771","","0.0767","0.0733","","","","1.6856","","","","","","","has coordinates","288755","2024-01-06","07:27:19",""
"1570374","7.5387","0.0005","8.2803","0.0005","8.4979","0.0005","83.344","0.005","89.699","0.005","70.311","0.006","495.76","0.06","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H6.16 Cl2.84 I N2 O2 -","- C5 H6 Cl2.84 I N2 O2 -","- C10 H12 Cl5.68 I2 N4 O4 -","2","1","","Chen, Qian-Qian; Hu, Chun-Li; Zhang, Ming-Zhi; Mao, Jiang-Gao","(C5H6.16N2Cl0.84)(IO2Cl2): a birefringent crystal featuring unprecedented (IO2Cl2)- anions and π-conjugated organic cations.","Chemical science","2023","14","48","14302","14307","10.1039/d3sc05770d","","","0.71073","MoKα","","0.029","0.0239","","","0.0512","0.0536","","","","","","1.04","","","","has coordinates","288756","2024-01-06","07:27:35",""
"1570376","7.9089","0.0002","15.0721","0.0003","17.4446","0.0004","90","","90","","90","","2079.46","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O3 -","- C26 H24 O3 -","- C104 H96 O12 -","4","1","","Zeng, Hongkun; Wang, Lifeng; Su, Zhishan; Ying, Meijia; Lin, Lili; Feng, Xiaoming","Chiral cobalt(ii) complex-promoted asymmetric para-Claisen rearrangement of allyl α-naphthol ethers.","Chemical science","2023","14","47","13979","13985","10.1039/d3sc05677e","","","1.54178","CuKα","","0.0341","0.0321","","","0.0758","0.0775","","","","","","1.06","","","","has coordinates","288748","2024-01-06","07:24:15",""
"1570377","7.8307","0.0001","15.5594","0.0003","21.1844","0.0004","90","","90","","90","","2581.13","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 O3 -","- C31 H26 O3 -","- C124 H104 O12 -","4","1","","Zeng, Hongkun; Wang, Lifeng; Su, Zhishan; Ying, Meijia; Lin, Lili; Feng, Xiaoming","Chiral cobalt(ii) complex-promoted asymmetric para-Claisen rearrangement of allyl α-naphthol ethers.","Chemical science","2023","14","47","13979","13985","10.1039/d3sc05677e","","","1.54178","CuKα","","0.0722","0.0672","","","0.1655","0.1697","","","","","","1.055","","","","has coordinates,has disorder","288748","2024-01-06","07:24:15",""
"1570385","12.5212","0.0004","17.2596","0.0006","18.8102","0.0007","90","","98.389","0.002","90","","4021.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","PW8","","","- C39 H63 Cl N O P Pd -","- C39 H63 Cl N O P Pd -","- C156 H252 Cl4 N4 O4 P4 Pd4 -","4","1","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","1.54178","CuKα","","0.0481","0.0422","","","0.1132","0.1166","","","","","","1.074","","","","has coordinates,has disorder","288754","2024-01-06","07:26:44",""
"1570386","8.5537","0.0002","9.5525","0.0002","10.1463","0.0002","91.5542","0.0009","91.4639","0.0009","94.101","0.0009","826.31","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PW2","","","- C13 H30 Br P Pd -","- C13 H30 Br P Pd -","- C26 H60 Br2 P2 Pd2 -","2","1","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","0.71073","MoKα","","0.018","0.0155","","","0.0371","0.0378","","","","","","1.057","","","","has coordinates","288754","2024-01-06","07:26:44",""
"1570387","10.33","0.0004","15.1751","0.0006","14.0651","0.0006","90","","110.126","0.0018","90","","2070.2","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PW9","","","- C16 H38 Cl P Pd Si -","- C16 H38 Cl P Pd Si -","- C64 H152 Cl4 P4 Pd4 Si4 -","4","1","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","0.71073","MoKα","","0.0359","0.0233","","","0.0497","0.0535","","","","","","1","","","","has coordinates","288754","2024-01-06","07:26:44",""
"1570388","12.1765","0.0011","14.8521","0.0014","16.3152","0.0015","86.928","0.003","74.898","0.003","77.45","0.003","2780.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PW1","","","- C31 H48 Cl P Pd -","- C31 H48 Cl P Pd -","- C124 H192 Cl4 P4 Pd4 -","4","2","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","0.71073","MoKα","","0.0745","0.0569","","","0.1174","0.1252","","","","","","1.099","","","","has coordinates","288754","2024-01-06","07:26:44",""
"1570389","31.4611","0.0009","8.1772","0.0002","23.0772","0.0006","90","","124.577","0.0009","90","","4888.3","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","PW6","","","- C21 H45 Br N O P Pd -","- C21 H45 Br N O P Pd -","- C168 H360 Br8 N8 O8 P8 Pd8 -","8","1","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","0.71073","MoKα","","0.0278","0.0198","","","0.0422","0.0442","","","","","","1.011","","","","has coordinates,has disorder","288754","2024-01-06","07:26:44",""
"1570390","14.7317","0.0003","12.1009","0.0003","14.8868","0.0003","90","","115.664","0.001","90","","2392.03","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","PW4","","","- C21 H45 Cl N O P Pd -","- C21 H45 Cl N O P Pd -","- C84 H180 Cl4 N4 O4 P4 Pd4 -","4","1","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","0.71073","MoKα","","0.0257","0.0186","","","0.0423","0.0448","","","","","","1.008","","","","has coordinates","288754","2024-01-06","07:26:44",""
"1570454","39.32","0.04","32.41","0.04","37.78","0.03","90","","115.25","0.03","90","","43545","8","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C184 H210 O39 Ti8 -","- C184 H210 O39 Ti8 -","- C1472 H1680 O312 Ti64 -","8","1","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34138","GaKα","","0.2195","0.1598","","","0.3794","0.4374","","","","","","1.081","","","","has coordinates","288764","2024-01-06","07:35:58",""
"1570455","38.021","0.013","38.021","0.013","19.702","0.004","90","","90","","90","","28481","15","297","","297","","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C96 H118 Cl O16 Ti4 -","- C96 H118 Cl O16 Ti4 -","- C768 H944 Cl8 O128 Ti32 -","8","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34138","GaKα","","0.086","0.0591","","","0.1627","0.1802","","","","","","0.994","","","","has coordinates,has disorder","288764","2024-01-06","07:36:01",""
"1570456","39.278","0.007","32.838","0.006","37.8","0.006","90","","115.147","0.005","90","","44134","13","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C756 H896 Br8 O148 Ti32 -","- C756 H896 Br8 O148 Ti32 -","- C1512 H1792 Br16 O296 Ti64 -","2","0.25","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1732","0.1388","","","0.3612","0.3814","","","","","","1.206","","","","has coordinates,has disorder","288764","2024-01-06","07:36:10",""
"1570457","39.187","0.003","33.088","0.002","37.42","0.003","90","","115.189","0.003","90","","43906","6","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C376 H454 N8 Na4 O84 Ti16 -","- C376 H454 N8 Na4 O84 Ti16 -","- C1504 H1816 N32 Na16 O336 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.147","0.1148","","","0.3252","0.351","","","","","","1.205","","","","has coordinates,has disorder","288764","2024-01-06","07:36:12",""
"1570458","38.634","0.003","32.619","0.003","37.291","0.003","90","","114.837","0.002","90","","42648","6","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C360 H432 O74.81 Ti16 -","- C360 H432 O74.83 Ti16 -","- C1440 H1728 O299.32 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1727","0.1242","","","0.3362","0.3708","","","","","","0.992","","","","has coordinates","288764","2024-01-06","07:36:15",""
"1570459","37.993","0.004","33.265","0.004","37.218","0.004","90","","113.35","0.005","90","","43185","8","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C382 H479 N3 O80 Ti16 -","- C382 H479 N3 O80 Ti16 -","- C1528 H1916 N12 O320 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1283","0.092","","","0.2646","0.2941","","","","","","1.056","","","","has coordinates,has disorder","288764","2024-01-06","07:36:20",""
"1570460","37.982","0.007","33.195","0.006","36.904","0.007","90","","113.349","0.006","90","","42719","14","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C364 H502 Na4 O113 Ti16 -","- C364 H436 Na4 O80 Ti16 -","- C1456 H1744 Na16 O320 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1313","0.0929","","","0.2702","0.304","","","","","","1.046","","","","has coordinates,has disorder","288764","2024-01-06","07:36:33",""
"1570461","53.303","0.002","19.9467","0.0008","50.645","0.002","90","","121.288","0.002","90","","46016","3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C396 H484 Cl2 N4 O68 Ti16 -","- C396 H484 Cl2 N4 O68 Ti16 -","- C1584 H1936 Cl8 N16 O272 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1051","0.0929","","","0.2724","0.2872","","","","","","1.008","","","","has coordinates,has disorder","288764","2024-01-06","07:36:37",""
"1570462","39.051","0.003","32.81","0.003","37.614","0.003","90","","115.05","0.003","90","","43660","6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C380 H552 Cl4 O122 Ti16 -","- C380 H452 Cl4 O72 Ti16 -","- C1520 H1808 Cl16 O288 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","","1.34138","GaKα","","0.1794","0.1329","","","0.345","0.3742","","","","","","1.118","","","","has coordinates,has disorder","288764","2024-01-06","07:36:47",""
"1570463","39.0491","0.0014","32.3507","0.0012","37.9914","0.0014","90","","115.329","0.001","90","","43379","3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C390 H474 N2 O71 Ti16 -","- C390 H474 N2 O71 Ti16 -","- C1560 H1896 N8 O284 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1127","0.0971","","","0.2887","0.307","","","","","","1.072","","","","has coordinates,has disorder","288764","2024-01-06","07:36:50",""
"1570464","38.447","0.002","32.9077","0.0017","37.172","0.002","90","","114.933","0.002","90","","42647","4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C368 H428 N4 Na2 O70 Ti16 -","- C368 H428 N4 Na2 O70 Ti16 -","- C1472 H1712 N16 Na8 O280 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1047","0.0904","","","0.2599","0.2706","","","","","","1.048","","","","has coordinates,has disorder","288764","2024-01-06","07:36:59",""
"1570465","54.372","0.007","20.162","0.002","50.494","0.007","90","","121.984","0.004","90","","46951","10","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C382 H450 F12 N4 O72 Ti16 -","- C382 H450 F12 N4 O72 Ti16 -","- C1528 H1800 F48 N16 O288 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","","1.34138","GaKα","","0.1304","0.0902","","","0.2705","0.3036","","","","","","1.051","","","","has coordinates,has disorder","288764","2024-01-06","07:37:02",""
"1570466","37.9325","0.0016","32.9482","0.0015","37.0574","0.0016","90","","113.305","0.002","90","","42536","3","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C380 H456 O72 Ti16 -","- C380 H456 O72 Ti16 -","- C1520 H1824 O288 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.0993","0.0839","","","0.2501","0.2668","","","","","","1.077","","","","has coordinates,has disorder","288764","2024-01-06","07:37:05",""
"1570467","39.095","0.009","33.277","0.015","37.714","0.016","90","","114.888","0.009","90","","44508","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C198 H235 Na O46 Ti8 -","- C198 H235 Na O46 Ti8 -","- C1584 H1880 Na8 O368 Ti64 -","8","1","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","","1.34138","GaKα","","0.1607","0.0962","","","0.2642","0.3136","","","","","","1.014","","","","has coordinates,has disorder","288764","2024-01-06","07:37:15",""
"1570468","39.19","0.0019","32.5046","0.0016","38.1646","0.0018","90","","115.461","0.002","90","","43894","4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C396 H486 N2 O72 Ti16 -","- C396 H486 N2 O72 Ti16 -","- C1584 H1944 N8 O288 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1168","0.0999","","","0.2974","0.3146","","","","","","1.108","","","","has coordinates,has disorder","288764","2024-01-06","07:37:25",""
"1570469","38.8238","0.0016","32.5568","0.0014","37.8922","0.0016","90","","115.418","0.002","90","","43259","3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C372 H426 N2 O76 Ti16 -","- C372 H426 N2 O76 Ti16 -","- C1488 H1704 N8 O304 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO2 photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.0926","0.081","","","0.2623","0.2729","","","","","","1.096","","","","has coordinates,has disorder","288764","2024-01-06","07:37:28",""
"1570651","13.956","0.003","13.033","0.003","23.58","0.005","90","","93.21","0.006","90","","4282.2","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 N6 O -","- C56 H40 N6 O -","- C224 H160 N24 O4 -","4","1","","Chatterjee, Abhijit; Chatterjee, Joy; Sappati, Subrahmanyam; Tanwar, Riteeka; Ambhore, Madan D.; Arfin, Habibul; Umesh, Rintu M.; Lahiri, Mayurika; Mandal, Pankaj; Hazra, Partha","Engineering TADF, mechanochromism, and second harmonic up-conversion properties in regioisomeric substitution space.","Chemical science","2023","14","47","13832","13841","10.1039/d3sc04280d","","","0.71073","MoKα","","0.1629","0.0882","","","0.1764","0.2104","","","","","","1.06","","","","has coordinates","288673","2024-01-04","10:01:09",""
"1570652","9.771","0.003","21.156","0.007","22.933","0.008","90","","90","","90","","4741","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H42 Cl2 N6 -","- C57 H42 Cl2 N6 -","- C228 H168 Cl8 N24 -","4","1","","Chatterjee, Abhijit; Chatterjee, Joy; Sappati, Subrahmanyam; Tanwar, Riteeka; Ambhore, Madan D.; Arfin, Habibul; Umesh, Rintu M.; Lahiri, Mayurika; Mandal, Pankaj; Hazra, Partha","Engineering TADF, mechanochromism, and second harmonic up-conversion properties in regioisomeric substitution space.","Chemical science","2023","14","47","13832","13841","10.1039/d3sc04280d","","","0.71073","MoKα","","0.1403","0.067","","","0.1568","0.1857","","","","","","1.039","","","","has coordinates","288674","2024-01-04","10:02:02",""
"1570653","12.415","0.002","11.6613","0.0019","17.594","0.003","90","","109.655","0.005","90","","2398.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H44 Cl4 N6 -","- C58 H44 Cl4 N6 -","- C116 H88 Cl8 N12 -","2","0.5","","Chatterjee, Abhijit; Chatterjee, Joy; Sappati, Subrahmanyam; Tanwar, Riteeka; Ambhore, Madan D.; Arfin, Habibul; Umesh, Rintu M.; Lahiri, Mayurika; Mandal, Pankaj; Hazra, Partha","Engineering TADF, mechanochromism, and second harmonic up-conversion properties in regioisomeric substitution space.","Chemical science","2023","14","47","13832","13841","10.1039/d3sc04280d","","","0.71073","MoKα","","0.1258","0.1161","","","0.3582","0.3634","","","","","","1.339","","","","has coordinates","288674","2024-01-04","10:02:02",""
"1570654","10","","2.7732","","1.51","","90","","90","","90","","41.875","","","","","","","","","","","","","1","P m m m","-P 2 2","47","","","","- V -","- V -","- V6 -","6","0.75","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:02",""
"1570655","3.63202","","3.32551","","2.5554","","90","","90","","90","","30.865","","","","","","","","","","","","","1","C 2 2 21","C 2c 2","20","","","","- S -","- S -","- S24 -","24","3","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570656","4.20442","","3.37278","","3.16417","","90","","90","","90","","44.87","","","","","","","","","","","","","1","C 2 2 21","C 2c 2","20","","","","- S -","- S -","- S24 -","24","3","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570657","4.2493","","4.2493","","1.73409","","90","","90","","120","","27.117","","","","","","","","","","","","","1","R 3 2 :H","R 3 2""","155","","","","- S -","- S -","- S18 -","18","1","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570658","5.2785","","5.2785","","5.2785","","90","","90","","90","","147.073","","","","","","","","","","","","","2","P m m m","-P 2 2","47","","","","- O4 S3 -","- O4 S3 -","- O8 S6 -","2","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570659","2.45007","","2.45007","","4.89666","","90","","90","","90","","29.394","","","","","","","","","","","","","2","P 42/m c m","-P 4c 2c","132","","","","- O3 S4 -","- O3 S4 -","- O6 S8 -","2","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570660","4.60193","","4.60193","","4.60193","","90","","90","","90","","97.459","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","","","- C3 N O -","- C3 N O -","- C24 N8 O8 -","8","0.333333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570661","1.89375","","1.89375","","3.44983","","90","","90","","120","","10.715","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C2 O -","- C2 O -","- C6 O3 -","3","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570662","3.57923","","3.57923","","3.57923","","90","","90","","90","","45.853","","","","","","","","","","","","","1","I -4 3 d","I -4bd 2c 3","220","","","","- C -","- C -","- C36 -","36","0.75","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570663","5.50285","","5.50285","","4.08619","","90","","90","","120","","107.158","","","","","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","","","- C2 O -","- C2 O -","- C36 O18 -","18","1","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570664","1.89375","","1.89375","","3.44983","","90","","90","","120","","10.715","","","","","","","","","","","","","1","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C -","- C -","- C9 -","9","0.75","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570665","4.74478","","4.74478","","4.74478","","90","","90","","90","","106.819","","","","","","","","","","","","","2","I 41 3 2","I 4bd 2c 3","214","","","","- C2 O -","- C2 O -","- C48 O24 -","24","0.5","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570666","2.776","","2.776","","2.776","","90","","90","","90","","21.392","","","","","","","","","","","","","2","P n -3 :2","-P 2ab 2bc 3","201","","","","- C3 O -","- C3 O -","- C12 O4 -","4","0.166667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570667","2.54838","","2.54838","","3.73553","","90","","90","","90","","24.259","","","","","","","","","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","","","","- C3 O -","- C3 O -","- C12 O4 -","4","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570668","2.77588","","2.77588","","2.77623","","90","","90","","90","","21.392","","","","","","","","","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","","","","- C3 O -","- C3 O -","- C12 O4 -","4","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570669","4.43069","","4.43069","","4.43069","","90","","90","","90","","86.979","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- C3 O -","- C3 O -","- C48 O16 -","16","0.333333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570670","4.43066","","4.43066","","4.43066","","90","","90","","90","","86.977","","","","","","","","","","","","","2","I a -3 d","-I 4bd 2c 3","230","","","","- C3 O -","- C3 O -","- C48 O16 -","16","0.166667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570671","4.2197","","4.2197","","4.2197","","90","","90","","90","","75.135","","","","","","","","","","","","","2","I 41 3 2","I 4bd 2c 3","214","","","","- C3 O -","- C3 O -","- C48 O16 -","16","0.333333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570672","4.19386","","4.19386","","4.19386","","90","","90","","90","","73.764","","","","","","","","","","","","","2","I 41 3 2","I 4bd 2c 3","214","","","","- C3 O -","- C3 O -","- C48 O16 -","16","0.333333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570673","3.79654","","3.79654","","3.79654","","90","","90","","90","","54.722","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- C3 O -","- C3 O -","- C48 O16 -","16","0.333333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570674","3.5931","","3.5931","","3.5931","","90","","90","","90","","46.388","","","","","","","","","","","","","2","I 41 3 2","I 4bd 2c 3","214","","","","- C3 O -","- C3 O -","- C48 O16 -","16","0.333333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570675","4.09382","","4.09382","","4.09382","","90","","90","","90","","68.61","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","","","- C3 O -","- C3 O -","- C48 O16 -","16","0.666667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570676","2.12045","","2.12045","","2.45424","","90","","90","","90","","11.035","","","","","","","","","","","","","2","I 4 2 2","I 4 2","97","","","","- C4 O -","- C4 O -","- C8 O2 -","2","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570677","1.7889","","1.7889","","1.7889","","90","","90","","90","","5.725","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- C6 O -","- C6 O -","- C12 O2 -","2","0.0416667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570678","2.21608","","2.21608","","2.21608","","90","","90","","90","","10.883","","","","","","","","","","","","","2","P 42 3 2","P 4n 2 3","208","","","","- C6 O -","- C6 O -","- C12 O2 -","2","0.0833333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570679","2.18345","","2.18345","","2.18345","","90","","90","","90","","10.409","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- C12 O -","- C12 O -","- C24 O2 -","2","0.0208333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570680","4.11415","","4.11415","","4.11415","","90","","90","","90","","69.637","","","","","","","","","","","","","3","F 41 3 2","F 4d 2 3","210","","","","- C6 N O2 -","- C6 N O2 -","- C48 N8 O16 -","8","0.0833333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570681","2.77525","","2.77525","","2.77525","","90","","90","","90","","21.375","","","","","","","","","","","","","3","P 4 3 2","P 4 2 3","207","","","","- C12 N8 O3 -","- C12 N8 O3 -","- C12 N8 O3 -","1","0.0416667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570682","3.266","","3.266","","1.1547","","90","","90","","120","","10.667","","","","","","","","","","","","","3","P 6 2 2","P 6 2","177","","","","- C4 N2 O -","- C4 N2 O -","- C12 N6 O3 -","3","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570683","6.0955","","6.0955","","2.31337","","90","","90","","120","","74.438","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- C4 N2 O -","- C4 N2 O -","- C12 N6 O3 -","3","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570684","4.93261","","4.93261","","2.36698","","90","","90","","120","","49.875","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- C4 N2 O -","- C4 N2 O -","- C12 N6 O3 -","3","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570685","5.88545","","5.88545","","1.65287","","90","","90","","120","","49.583","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- C4 N2 O -","- C4 N2 O -","- C12 N6 O3 -","3","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570686","3.266","","3.266","","1.1547","","90","","90","","120","","10.667","","","","","","","","","","","","","3","P 6/m","-P 6","175","","","","- C4 N2 O -","- C4 N2 O -","- C12 N6 O3 -","3","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570687","2.37485","","2.37485","","2.16458","","90","","90","","90","","12.208","","","","","","","","","","","","","3","I 4 2 2","I 4 2","97","","","","- C4 N2 O -","- C4 N2 O -","- C8 N4 O2 -","2","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570688","2.37513","","2.37513","","2.16441","","90","","90","","90","","12.21","","","","","","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- C4 N2 O -","- C4 N2 O -","- C8 N4 O2 -","2","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570689","4.71504","","4.71504","","2.98081","","90","","90","","90","","66.268","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- C12 N4 O3 -","- C12 N4 O3 -","- C24 N8 O6 -","2","0.0625","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570690","2.3094","","2.3094","","2.3094","","90","","90","","90","","12.317","","","","","","","","","","","","","3","P n -3 n :1","P 4 2 3 -1n","222","","","","- C12 N4 O3 -","- C12 N4 O3 -","- C24 N8 O6 -","2","0.0416667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570691","2.3094","","2.3094","","2.3094","","90","","90","","90","","12.317","","","","","","","","","","","","","3","I 4 3 2","I 4 2 3","211","","","","- C12 N4 O3 -","- C12 N4 O3 -","- C24 N8 O6 -","2","0.0416667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570692","1.1547","","1.1547","","1.1547","","90","","90","","90","","1.54","","","","","","","","","","","","","3","P 4 2 2","P 4 2","89","","","","- C4 N O -","- C4 N O -","- C4 N O -","1","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""