# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-25T09:16:59+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 142 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
"1000500","17.0051","0.0002","17.0051","0.0002","6.8607","0.0001","90","","90","","120","","1718.1","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Lanthanum molybdenum oxide (7/7/30)","","- La7 Mo7 O30 -","- La7 Mo7 O30 -","- La21 Mo21 O90 -","3","0.166667","","Goutenoire, F; Retoux, R; Suard, E; Lacorre, P","Ab initio determination of the novel perovskite-related structure of La7 Mo7 O30 from powder diffraction","Journal of Solid State Chemistry","1999","142","","228","235","10.1006/jssc.1998.8070","","","","","","0.0418","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000501","17.00639","0.0002","17.00639","0.0002","6.8613","0.0001","90","","90","","120","","1718.5","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Lanthanum molybdenum oxide (7/7/30)","","- La7 Mo7 O30 -","- La7 Mo7 O30 -","- La21 Mo21 O90 -","3","0.166667","","Goutenoire, F; Retoux, R; Suard, E; Lacorre, P","Ab initio determination of the novel perovskite-related structure of La7 Mo7 O30 from powder diffraction","Journal of Solid State Chemistry","1999","142","","228","235","10.1006/jssc.1998.8070","","","","","","0.0515","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004033","8.641","0.005","14.364","0.009","12.581","0.011","90","","96.39","0.06","90","","1551.8","1.9","293","2","293","2","","","","","","","?","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 N2 O12 P3 Zn2 -","- C6 H18 N2 O12 P3 Zn2 -","- C24 H72 N8 O48 P12 Zn8 -","4","1","","Josien, L.; Simon-Masseron, A.; Fleith, S.; Gramlich, V.; Patarin, J.","Hydrothermal synthesis and characterization of new phosphate-based materials prepared in the presence of 1,4-dimethylpiperazine","Impact of Zeolites and other Porous Materials on the new Technologies at the Beginning of the New Millennium Proceedings of the 2nd International FEZA (Federation of the European Zeolite Associations) Conference","2002","142","","415","422","10.1016/S0167-2991(02)80056-8","","","0.71073","MoKα","","0.044","0.0307","","0.0732","0.072","","","","0.836","1.011","1.011","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004134","11.7525","0.0002","5.8005","0.0001","24.8024","0.0004","90","","102.867","0.001","90","","1648.3","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Bismuth molybdenum oxide (26.4/9.6/68.4)","","- Bi26.4 Mo9.6 O68.4 -","- Bi26.4 Mo9.6 O68.4 -","- Bi26.4 Mo9.6 O68.4 -","1","0.25","","Vannier, R-N; Abraham, F; Nowogrocki, G; Mairesse, G","New structural and electrical data on Bi-Mo mixed oxides with a structure based on (B12 O14)(infinite) columns","Journal of Solid State Chemistry","1999","142","","294","304","10.1006/jssc.1998.8034","","","","","","0.0476","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004135","4.0242","0.0002","4.0242","0.0002","27.59999","0.001","90","","90","","120","","387.1","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth lanthanum oxide (0.78/0.23/1.5)","","- Bi0.775 La0.225 O1.5 -","- Bi0.775 La0.225 O1.5 -","- Bi6.975 La2.025 O13.5 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004136","3.9975","0.0001","3.9975","0.0001","27.50899","0.001","90","","90","","120","","380.7","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth praseodymium oxide (0.78/0.23/1.5)","","- Bi0.775 O1.5 Pr0.225 -","- Bi0.775 O1.5 Pr0.225 -","- Bi6.975 O13.5 Pr2.025 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004137","3.9915","0.0001","3.9915","0.0001","27.463","0.001","90","","90","","120","","378.9","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth neodymium oxide (0.78/0.23/1.5)","","- Bi0.775 Nd0.225 O1.5 -","- Bi0.775 Nd0.225 O1.5 -","- Bi6.975 Nd2.025 O13.5 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004138","3.9783","0.0002","3.9783","0.0002","27.39099","0.002","90","","90","","120","","375.4","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth samarium oxide (0.78/0.23/1.5)","","- Bi0.775 O1.5 Sm0.225 -","- Bi0.775 O1.5 Sm0.225 -","- Bi6.975 O13.5 Sm2.025 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004139","3.9736","0.0002","3.9736","0.0002","27.353","0.002","90","","90","","120","","374","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth europium oxide (0.78/0.23/1.5)","","- Bi0.775 Eu0.225 O1.5 -","- Bi0.775 Eu0.225 O1.5 -","- Bi6.975 Eu2.025 O13.5 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004140","3.9724","0.0003","3.9724","0.0003","27.33899","0.001","90","","90","","120","","373.6","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth gadolinium oxide (0.78/0.23/1.5)","","- Bi0.775 Gd0.225 O1.5 -","- Bi0.775 Gd0.225 O1.5 -","- Bi6.975 Gd2.025 O13.5 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004141","3.9653","0.0002","3.9653","0.0002","27.31699","0.002","90","","90","","120","","372","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth terbium oxide (0.78/0.23/1.5)","","- Bi0.775 O1.5 Tb0.225 -","- Bi0.775 O1.5 Tb0.225 -","- Bi6.975 O13.5 Tb2.025 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004142","3.9649","0.0002","3.9649","0.0002","27.29599","0.002","90","","90","","120","","371.6","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth dysprosium oxide (0.78/0.23/1.5)","","- Bi0.775 Dy0.225 O1.5 -","- Bi0.775 Dy0.225 O1.5 -","- Bi6.975 Dy2.025 O13.5 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004143","6.215","0.001","7.44","0.002","10.498","0.002","100.19","0.01","103.73","0.01","90.05","0.01","463.6","","","","","","","","","","","","","4","P -1","-P 1","2","","Tetralead bismuth tetraoxide phosphate(V)","","- Bi O8 P Pb4 -","- Bi O8 P Pb4 -","- Bi2 O16 P2 Pb8 -","2","1","","Giraud, S; Wignacourt, J-P; Drache, M; Nowogrocki, G; Steinfink, H","The stereochemical effect of 6s2 lone-pair electrons: the crystal structure of a new lead bismuth oxyphosphate Pb4 Bi O4 P O4","Journal of Solid State Chemistry","1999","142","","80","88","10.1006/jssc.1998.7988","","","","","","0.0485","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1500044","13.24","0.003","13.24","0.003","7.497","0.003","90","","90","","90","","1314.2","0.7","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- Fe6 La24 Li22 O56 -","- Fe6 La24 Li22 O56 -","- Fe6 La24 Li22 O56 -","1","0.0625","","Abbattista, F; Mazza, D; Vallino, M; Gazzano, M","A new structure in the La-Li-Fe-O system","Journal of the Less-Common Metals","1988","142","","203","211","10.1016/0022-5088(88)90178-6","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","190403","2020-10-21","18:00:00",""
"1509177","6.651","","6.651","","6.651","","90","","90","","90","","294.212","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag Cd2 Ce -","- Ag Cd2 Ce -","- Ag4 Cd8 Ce4 -","4","0.0208333","","Berger, G.; Weiss, A.","Ternary intermetallic phases with Heusler-phase type structure in the system Ag-Mg-RE (RE= La, Ce, Pr, Nd, Sm)","Journal of the Less-Common Metals","1988","142","","109","121","10.1016/0022-5088(88)90168-3","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509189","7.294","","7.294","","7.294","","90","","90","","90","","388.059","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag Ce Mg2 -","- Ag Ce Mg2 -","- Ag4 Ce4 Mg8 -","4","0.0208333","","Berger, G.; Weiss, A.","Ternary intermetallic phases with Heusler-phase type structure in the system Ag-Mg-RE (RE=La,Ce,Pr,Nd,Sm)","Journal of the Less-Common Metals","1988","142","","109","121","10.1016/0022-5088(88)90168-3","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509460","7.26","","7.26","","7.26","","90","","90","","90","","382.657","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag Mg2 Pr -","- Ag Mg2 Pr -","- Ag4 Mg8 Pr4 -","4","0.0208333","","Berger, G.; Weiss, A.","Ternary intermetallic phases with Heusler-phase type structures in the system Ag-Mg-RE (RE= La, Ce, Pr, Nd, Sm)","Journal of the Less-Common Metals","1988","142","","109","121","10.1016/0022-5088(88)90168-3","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509461","7.194","","7.194","","7.194","","90","","90","","90","","372.316","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag Mg2 Sm -","- Ag Mg2 Sm -","- Ag4 Mg8 Sm4 -","4","0.0208333","","Berger, G.; Weiss, A.","Ternary intermetallic phases with Heusler-phase type structures in the system Ag-Mg-RE (RE= La, Ce, Pr, Nd, Sm)","Journal of the Less-Common Metals","1988","142","","109","121","10.1016/0022-5088(88)90168-3","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509498","10.437","","9.897","","5.532","","90","","99.69","","90","","563.275","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ag (V O3)","","- Ag O3 V -","- Ag O3 V -","- Ag8 O24 V8 -","8","1","","Akashi, H.; Kittaka, S.; Matsuno, K.","Crystal structure of alpha-Ag V O3 and phase relation of Ag V O3","Journal of Solid State Chemistry","1999","142","","360","367","10.1006/jssc.1998.8044","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511186","10.284","","4.224","","13.246","","90","","90.87","","90","","575.335","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Sr2 (B N2) I","","- B I N2 Sr2 -","- B I N2 Sr2 -","- B4 I4 N8 Sr8 -","4","1","","Rohrer, F.E.; Nesper, R.","Sr2 B N2 I: a strontium iodide compound with isolated B N2(3-) units","Journal of Solid State Chemistry","1999","142","","187","191","10.1006/jssc.1998.8028","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511527","4.204","","20.92","","20.95","","91.74","","90.03","","93.12","","1838.92","","","","","","","","","","","","","4","P -1","-P 1","2","","Ba8 (B N2)5 F","","- B5 Ba8 F N10 -","- B5 Ba8 F N10 -","- B20 Ba32 F4 N40 -","4","2","","Rohrer, F.E.; Nesper, R.","Ba8 (B N2)5 F: A barium fluoride compound with isolated B N2(3-) units","Journal of Solid State Chemistry","1999","142","","192","198","10.1006/jssc.1998.8027","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1522658","5.509","","5.51","","7.445","","90","","111.71","","90","","209.96","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Ni7 Th4 -","- Ni7.04 Th4 -","- Ni7.04 Th4 -","1","0.125","","Palenzona, A.; Cirafici, S.","The equilibrium diagram of the Th-Ni system","Journal of the Less-Common Metals","1988","142","","311","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524064","7.29","","7.29","","7.29","","90","","90","","90","","387.42","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce Cu Mg2 -","- Ce Cu Mg2 -","- Ce4 Cu4 Mg8 -","4","0.0208333","","Berger, G.; Weiss, A.","Ternary intermetallic phases with Heusler-phase type structure in the system Ag-Mg-RE (RE= La, Ce, Pr, Nd, Sm)","Journal of the Less-Common Metals","1988","142","","109","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524375","4.271","","4.271","","15.925","","90","","90","","120","","251.576","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cu2 Ga Sr -","- Cu2 Ga Sr -","- Cu6 Ga3 Sr3 -","3","0.0833333","","Fornasini, M.L.; Merlo, F.","The crystal structure of Ca2 Cu2 Ga, Ca Cu Ga, Sr Cu2 Ga and Ba Cu2 Ga","Journal of the Less-Common Metals","1988","142","","289","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530189","9.257","","10.301","","5.954","","90","","90","","90","","567.752","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Sr Nb8 O14","","- Nb8 O14 Sr -","- Nb8 O14 Sr -","- Nb16 O28 Sr2 -","2","0.25","","Koehler, J.; Simon, A.; Hibble, S.J.; Cheetham, A.K.","A Single-Crystal and Synchrotron Powder X-Ray Refinement of the Structure of Sr Nb8 O14, a New Oxoniobate containing Nb6 Octahedra","Journal of the Less-Common Metals","1988","142","","123","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530461","7.42","","13.678","","7.421","","90","","119.76","","90","","653.83","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Bi (Fe (C N)6) (H2 O)4","","- C6 H8 Bi Fe N6 O4 -","- C6 Bi Fe N6 O4 -","- C12 Bi2 Fe2 N12 O8 -","2","0.5","","Mullica, D.F.; Perkins, H.O.; Sappenfield, E.L.","Synthesis, spectroscopic studies, and crystal and molecular structure of bismuth hexacyanoferrate(III) tetrahydrate, Bi Fe (C N)6 4(H2 O)","Inorganica Chimica Acta","1988","142","","9","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530462","7.951","","7.951","","7.951","","90","","90","","90","","502.65","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Sc0.49 In0.50 (O H)3","","- H3 In0.5 O3 Sc0.49 -","- In0.5 O3 Sc0.49 -","- In4 O24 Sc3.92 -","8","0.166667","","Mullica, D.F.; Sappenfield, E.L.; Gable, D.R.","Synthesis, spectral analyses and X-ray diffraction studies of 1:1 (Sc,In)(O H)3","Journal of the Less-Common Metals","1988","142","","341","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","155572","2020-10-21","18:00:00",""
"1538749","6.44","","6.44","","6.44","","90","","90","","90","","267.09","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Hg Te -","- Hg Te -","- Hg4 Te4 -","4","0.0416667","","Mariano, A.N.; Warekois, E.P.","High pressure phases of some compounds of groups II-VI","Science","1963","142","","672","673","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538951","3.967","","3.967","","3.845","","90","","90","","120","","52.402","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ni2 Th -","- Ni2 Th -","- Ni2 Th -","1","0.0416667","","Palenzona, A.; Cirafici, S.","The equilibrium diagram of the Th - Ni system","Journal of the Less-Common Metals","1988","142","","311","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538952","4.926","","4.926","","3.985","","90","","90","","120","","83.743","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ni5 Th -","- Ni5 Th -","- Ni5 Th -","1","0.0416667","","Palenzona, A.; Cirafici, S.","The equilibrium diagram of the Th - Ni system","Journal of the Less-Common Metals","1988","142","","311","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539461","3.797","","3.797","","3.797","","90","","90","","90","","54.742","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mg Y -","- Mg Y -","- Mg Y -","1","0.0208333","","Zanicchi, G.; Contardi, V.; Marazza, R.; Mazzone, D.; Ferro, R.","On some lanthanide and pseudolanthanide magnesium alloys","Journal of the Less-Common Metals","1988","142","","L31","L36","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1546510","6.272","0.0003","5.0701","0.0003","10.2989","0.0006","90","","95.882","0.002","90","","325.78","0.03","","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al B Li2 O4 -","- Al B Li2 O4 -","- Al4 B4 Li8 O16 -","4","1","","Psycharis, V.; Kapoutsis, I. A.; Chryssikos, G. D.","Crystal structure and vibrational spectra of Li2BAlO4","Journal of Solid State Chemistry","1999","142","","214","219","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","0.0514","","","","","","","","has coordinates","198592","2020-10-21","18:00:00",""
"2002401","5.291","","5.291","","14.342","","90","","90","","120","","347.7","","","","","","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","Trimanganese zinc tri-$-mue-oxo-hexaoxodiniobate","","- Mn3 Nb2 O9 Zn -","- Mn3 Nb2 O9 Zn -","- Mn6 Nb4 O18 Zn2 -","2","0.333333","","Rohweder, U; Mueller-Buschbaum, Hk","Zur Kristallchemie von Mn3 Zn Nb2 O9 und Mn Zn2 Nb2 O8","Journal of the Less-Common Metals","1988","142","","75","83","10.1016/0022-5088(88)90164-6","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002402","19.267","","5.933","","5.222","","90","","90.3","","90","","596.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Manganese dizinc diniobium oxide","","- Mn Nb2 O8 Zn2 -","- Mn Nb2 O8 Zn2 -","- Mn4 Nb8 O32 Zn8 -","4","0.5","","Rohweder, U; Mueller-Buschbaum, Hk","Zur Kristallchemie von Mn3 Zn Nb2 O9 und Mn Zn2 Nb2 O8","Journal of the Less-Common Metals","1988","142","","75","83","10.1016/0022-5088(88)90164-6","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002403","7.9018","0.0094","8.2008","0.0082","5.8718","0.0068","96.506","0.039","94.033","0.09","110.27","0.102","352.2","","","","","","","","","","","","","3","P 1","P 1","1","","Dicopper(I) tungstate","","- Cu2 O4 W -","- Cu2 O4 W -","- Cu8 O16 W4 -","4","4","","Mumm, H C; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Cu2 W O4","Journal of the Less-Common Metals","1988","142","","85","90","10.1016/0022-5088(88)90165-8","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002431","4.735","0.0004","4.735","0.0004","9.2152","0.0012","90","","90","","90","","206.6","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Zinc magnesium tantalum oxide (.7/.3/2/6)","","- Mg0.3 O6 Ta2 Zn0.7 -","- Mg0.3 O6 Ta2 Zn0.7 -","- Mg0.6 O12 Ta4 Zn1.4 -","2","0.125","","Halle, G; Mueller-Buschbaum, Hk","Untersuchungen an Zn(1-x) M(x) Ta2 O6 (M = Mg und Ni) mit einer Verfeinerung der Kristallstruktur von Mg Ta2 O6","Journal of the Less-Common Metals","1988","142","","263","268","10.1016/0022-5088(88)90184-1","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002432","4.7316","0.001","4.7316","0.001","9.1909","0.0026","90","","90","","90","","205.8","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Zinc nickel tantalum oxide (0.85/0.15/2/6)","","- Ni0.15 O6 Ta2 Zn0.85 -","- Ni0.15 O6 Ta2 Zn0.85 -","- Ni0.3 O12 Ta4 Zn1.7 -","2","0.125","","Halle, G; Mueller-Buschbaum, Hk","Untersuchungen an Zn(1-x) M(x) Ta2 O6 (M = Mg und Ni) mit einer Verfeinerung der Kristallstruktur von Mg Ta2 O6","Journal of the Less-Common Metals","1988","142","","263","268","10.1016/0022-5088(88)90184-1","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002433","4.7189","0.0007","4.7189","0.0007","9.2003","0.0022","90","","90","","90","","204.9","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Magnesium ditantalum oxide","","- Mg O6 Ta2 -","- Mg O6 Ta2 -","- Mg2 O12 Ta4 -","2","0.125","","Halle, G; Mueller-Buschbaum, Hk","Untersuchungen an Zn(1-x) M(x) Ta2 O6 (M = Mg und Ni) mit einer Verfeinerung der Kristallstruktur von Mg Ta2 O6","Journal of Solid State Chemistry","1988","142","","263","268","","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002482","6.6566","0.001","6.6566","0.001","5.896","0.0006","90","","90","","90","","261.3","","","","","","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","Barium platinum dieuropium oxide","","- Ba Eu2 O5 Pt -","- Ba Eu2 O5 Pt -","- Ba2 Eu4 O10 Pt2 -","2","0.25","","Mueller-Buschbaum, Hk; Lang, C","Notiz ueber Synthese und Kristallstruktur von Ba Pt Eu2 O5 und Ba Ni Eu2 O5","Journal of the Less-Common Metals","1988","142","","L1","L3","10.1016/0022-5088(88)90195-6","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002483","3.8018","0.0012","5.8545","0.0007","11.5125","0.0026","90","","90","","90","","256.2","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Barium nickel dieuropium oxide","","- Ba Eu2 Ni O5 -","- Ba Eu2 Ni O5 -","- Ba2 Eu4 Ni2 O10 -","2","0.125","","Mueller-Buschbaum, Hk; Lang, C","Notiz ueber Synthese und Kristallstruktur von Ba Pt Eu2 O5 und Ba Ni Eu2 O5","Journal of the Less-Common Metals","1988","142","","L1","L3","10.1016/0022-5088(88)90195-6","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4133910","11.5979","0.0004","12.4869","0.0003","13.0234","0.0005","111.577","0.003","107.814","0.003","103.415","0.003","1538.21","0.12","213","","213","","","","","","","","","4","P -1","-P 1","2","","2,4,6,8-tetraphenyl-2,4,6,8-tetraaza-1,5(3,11)-didibenzo[a,j]phenazina-3,7(1,4)-dibenzenacyclooctaphane","","- C78 H50 Cl6 N8 -","- C78 H50 Cl6 N8 -","- C78 H50 Cl6 N8 -","1","0.5","","Izumi, Saika; Higginbotham, Heather F.; Nyga, Aleksandra; Stachelek, Patrycja; Tohnai, Norimitsu; Silva, Piotr de; Data, Przemyslaw; Takeda, Youhei; Minakata, Satoshi","Thermally Activated Delayed Fluorescent Donor-Acceptor-Donor-Acceptor π-Conjugated Macrocycle for Organic Light-Emitting Diodes.","Journal of the American Chemical Society","2020","142","3","1482","1491","10.1021/jacs.9b11578","","","1.54187","CuKα","","0.0729","0.0661","","","0.1885","0.1954","","","","","","1.077","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133911","8.76533","0.0001","40.6863","0.0004","21.4744","0.0002","90","","98.1999","0.001","90","","7580.09","0.14","93","","93","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2,4,6,8-tetraphenyl-2,4,6,8-tetraaza-1,5(3,11)-didibenzo[a,j]phenazina-3,7(1,4)-dibenzenacyclooctaphane","","- C81 H53 Cl15 N8 -","- C81 H52 Cl15 N8 -","- C324 H208 Cl60 N32 -","4","1","","Izumi, Saika; Higginbotham, Heather F.; Nyga, Aleksandra; Stachelek, Patrycja; Tohnai, Norimitsu; Silva, Piotr de; Data, Przemyslaw; Takeda, Youhei; Minakata, Satoshi","Thermally Activated Delayed Fluorescent Donor-Acceptor-Donor-Acceptor π-Conjugated Macrocycle for Organic Light-Emitting Diodes.","Journal of the American Chemical Society","2020","142","3","1482","1491","10.1021/jacs.9b11578","","","1.54187","CuKα","","0.1275","0.1104","","","0.3106","0.3274","","","","","","1.043","","","","has coordinates","247533","2020-10-21","18:00:00",""
"4133912","10.2772","0.0004","6.1873","0.0002","11.9566","0.0005","90","","113.206","0.004","90","","698.79","0.05","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 B O4 -","- C14 H19 B O4 -","- C28 H38 B2 O8 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0289","0.0286","","","0.0663","0.0664","","","","","","1.006","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133913","25.9588","0.0008","6.6139","0.0002","11.2968","0.0003","90","","92.514","0.002","90","","1937.67","0.1","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 B O3 -","- C22 H29 B O3 -","- C88 H116 B4 O12 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0642","0.0624","","","0.1233","0.1244","","","","","","1.064","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133914","7.9153","0.0002","9.4724","0.0002","12.8773","0.0002","100.926","0.002","101.026","0.002","94.341","0.002","924.2","0.04","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 B N O3 -","- C21 H24 B N O3 -","- C42 H48 B2 N2 O6 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0464","0.0458","","","0.1051","0.1055","","","","","","1.055","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133915","25.3806","0.0006","6.6166","0.0001","31.099","0.0008","90","","112.921","0.003","90","","4810.2","0.2","98","2","98","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C25 H34 B2 O4 -","- C25 H34 B2 O4 -","- C200 H272 B16 O32 -","8","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0561","0.0547","","","0.1191","0.12","","","","","","1.072","","","","has coordinates,has disorder","301835","2025-08-20","18:54:29",""
"4133916","7.5748","0.0002","7.5235","0.0002","13.5891","0.0004","90","","91.676","0.003","90","","774.1","0.04","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 B F3 N O -","- C6 H9 B F3 N O -","- C24 H36 B4 F12 N4 O4 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0347","0.0343","","","0.0863","0.0866","","","","","","1.05","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133917","10.5926","0.0002","21.6904","0.0003","14.3419","0.0002","90","","107.969","0.002","90","","3134.44","0.09","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 B O3 -","- C17 H21 B O3 -","- C136 H168 B8 O24 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0615","0.0588","","","0.1225","0.1243","","","","","","1.069","","","","has coordinates,has disorder","301835","2025-08-20","18:54:29",""
"4133918","8.4082","0.0005","8.7515","0.0005","10.3759","0.0003","107.497","0.004","105.684","0.004","97.298","0.005","682.79","0.07","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 B F3 O2 -","- C13 H16 B F3 O2 -","- C26 H32 B2 F6 O4 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0867","0.0758","","","0.1456","0.1491","","","","","","1.091","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133919","8.0689","0.0002","19.1049","0.0005","8.649","0.0002","90","","90","","90","","1333.29","0.06","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H11 B F3 K O5 -","- C10 H11 B F3 K O5 -","- C40 H44 B4 F12 K4 O20 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0222","0.0221","","","0.0593","0.0593","","","","","","1.089","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133920","14.7645","0.0004","7.7901","0.0002","16.2371","0.0004","90","","107.458","0.002","90","","1781.52","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 I N O4 -","- C18 H22 I N O4 -","- C72 H88 I4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0338","0.0336","","","0.0918","0.092","","","","","","1.1","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133921","20.3444","0.0005","9.5619","0.0002","13.8608","0.0003","90","","103.721","0.002","90","","2619.41","0.1","98","3","98","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B N O2 -","- C14 H18 B N O2 -","- C112 H144 B8 N8 O16 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0498","0.0488","","","0.1042","0.1049","","","","","","1.069","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133922","9.1074","0.0006","10.4748","0.0006","11.1129","0.0007","90.07","0.005","103.031","0.005","112.623","0.006","948.81","0.11","97","2","97","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 B N O3 -","- C22 H26 B N O3 -","- C44 H52 B2 N2 O6 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0485","0.0474","","","0.099","0.0998","","","","","","1.006","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133923","5.8375","0.0002","17.0381","0.0004","13.9958","0.0004","90","","94.048","0.002","90","","1388.55","0.07","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B O4 -","- C14 H19 B O4 -","- C56 H76 B4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0433","0.0427","","","0.105","0.1055","","","","","","1.019","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133924","9.4219","0.0003","11.3625","0.0003","16.4678","0.0004","104.315","0.002","92.465","0.002","114.483","0.003","1533.34","0.09","98","2","98","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H38 B Cl3 O5 -","- C32 H38 B Cl3 O5 -","- C64 H76 B2 Cl6 O10 -","2","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.035","0.0342","","","0.0854","0.0861","","","","","","1.023","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133925","17.8482","0.0004","7.0235","0.0002","22.7583","0.0006","90","","90","","90","","2852.91","0.13","98","2","98","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H21 B O4 -","- C14 H21 B O4 -","- C112 H168 B8 O32 -","8","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0485","0.0476","","","0.1066","0.1072","","","","","","1.07","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133926","10.1479","0.0002","10.5387","0.0003","31.4024","0.0007","90","","90","","90","","3358.35","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 B O2 -","- C20 H21 B O2 -","- C160 H168 B8 O16 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0667","0.0644","","","0.1352","0.1366","","","","","","1.086","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133927","13.7679","0.0004","7.5766","0.0002","12.4291","0.0003","90","","92.295","0.002","90","","1295.49","0.06","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 B F O2 -","- C13 H18 B F O2 -","- C52 H72 B4 F4 O8 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.05","0.0493","","","0.1174","0.1179","","","","","","1.071","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133928","6.7381","0.0002","12.3279","0.0004","15.8619","0.0005","90","","96.91","0.003","90","","1308.02","0.07","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 B F O3 -","- C13 H18 B F O3 -","- C52 H72 B4 F4 O12 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0409","0.0407","","","0.0951","0.0953","","","","","","1.072","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133929","9.4792","0.0002","11.0501","0.0002","13.2369","0.0003","90","","90","","90","","1386.51","0.05","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 B O2 S -","- C13 H19 B O2 S -","- C52 H76 B4 O8 S4 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0254","0.0252","","","0.0665","0.0667","","","","","","1.015","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133930","17.2944","0.0014","6.5162","0.0004","11.397","0.0008","90","","106.818","0.008","90","","1229.44","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 B2 O4 -","- C26 H36 B2 O4 -","- C52 H72 B4 O8 -","2","0.5","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.071","0.0411","","","0.0715","0.0757","","","","","","1.038","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133931","27.1253","0.0012","6.6649","0.0002","12.131","0.0006","90","","119.012","0.006","90","","1917.93","0.18","98","2","98","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H26 B N O4 -","- C19 H26 B N O4 -","- C76 H104 B4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0463","0.046","","","0.1273","0.1275","","","","","","1.076","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133932","10.008","0.0003","19.8705","0.0008","9.1491","0.0002","90","","90","","90","","1819.43","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H26 B N O4 -","- C17 H26 B N O4 -","- C68 H104 B4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0361","0.0347","","","0.0785","0.0792","","","","","","1.09","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133933","8.5562","0.0003","13.8694","0.0006","6.9835","0.0003","90","","90","","90","","828.73","0.06","98","2","98","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C5 H5 B F4 K N O -","- C5 H5 B F4 K N O -","- C20 H20 B4 F16 K4 N4 O4 -","4","0.5","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0229","0.0229","","","0.0634","0.0634","","","","","","1.031","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133937","11.9458","0.0005","15.1939","0.0005","16.5538","0.0006","76.623","0.002","88.347","0.002","73.614","0.002","2802.19","0.18","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 N6 O8 S -","- C46 H60 N6 O8 S -","- C92 H120 N12 O16 S2 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.34139","GaKα","","0.1579","0.1139","","","0.2252","0.2461","","","","","","1.067","","","","has coordinates,has disorder","247524","2020-10-21","18:00:00",""
"4133938","11.7856","0.0002","15.0499","0.0004","17.5779","0.0004","68.685","0.002","71.465","0.002","71.534","0.002","2681.5","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H77 N6 O9 -","- C56 H77 N6 O9 -","- C112 H154 N12 O18 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54184","CuKα","","0.0844","0.0725","","","0.1925","0.2013","","","","","","1.037","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133939","12.8492","0.0011","14.4967","0.0012","16.6539","0.0014","102.285","0.004","91.716","0.004","112.279","0.004","2783.8","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H62 N6 O8 -","- C50 H62 N6 O8 -","- C100 H124 N12 O16 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54178","CuKα","","0.1597","0.0963","","","0.2107","0.2422","","","","","","1.078","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133940","12.0076","0.0006","14.8684","0.0007","17.0843","0.0008","73.739","0.002","86.373","0.003","68.275","0.002","2717.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H68 N6 O9 -","- C52 H68 N6 O9 -","- C104 H136 N12 O18 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54178","CuKα","","0.2511","0.125","","","0.2221","0.2804","","","","","","1.003","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133941","12.13","0.002","14.831","0.003","16.344","0.003","78.46","0.03","88.91","0.03","69.37","0.03","2691.9","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 Cl6 N6 O4 -","- C48 H57 Cl6 N6 O4 -","- C96 H114 Cl12 N12 O8 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","0.68875","synchrotron","","0.2016","0.1903","","","0.3995","0.4041","","","","","","1.016","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133942","11.0628","0.0002","26.8155","0.0004","9.3804","0.0001","90","","98.755","0.001","90","","2750.31","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N4 O4 -","- C30 H36 N4 O4 -","- C120 H144 N16 O16 -","4","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54178","CuKα","","0.065","0.0619","","","0.1635","0.1664","","","","","","1.028","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133943","11.7742","0.0005","17.2343","0.0008","13.6399","0.0006","90","","95.461","0.002","90","","2755.2","0.2","230","2","230.19","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.0849","0.0474","","","0.1035","0.1285","","","","","","1.025","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133944","11.6624","0.0004","17.1444","0.0005","13.6082","0.0004","90","","95.398","0.001","90","","2708.82","0.15","110","2","110.26","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.062","0.0424","","","0.0958","0.1104","","","","","","1.037","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133945","11.7141","0.0003","17.1834","0.0005","13.6219","0.0003","90","","95.444","0.001","90","","2729.56","0.12","170","2","170.2","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.0682","0.0434","","","0.0968","0.1161","","","","","","1.045","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133946","9.5948","0.0006","9.7067","0.0006","15.6253","0.0011","79.68","0.003","84.432","0.003","84.978","0.003","1421.28","0.16","297","2","296.79","","","","","","","","","2","P -1","-P 1","2","","","","- C40 H28 -","- C40 H28 -","- C80 H56 -","2","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.1615","0.0652","","","0.1163","0.1525","","","","","","1.004","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133947","11.8538","0.0005","17.2687","0.0007","13.6467","0.0006","90","","95.481","0.002","90","","2780.7","0.2","293","","296.79","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.114","0.0508","","","0.1131","0.1506","","","","","","1.002","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133954","43.512","0.006","43.512","0.006","27.788","0.005","90","","90","","120","","45562","12","100","2","100.15","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C48 H80 K2 O40 -","- C48 H80 K2 O40 -","- C864 H1440 K36 O720 -","18","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","1.54178","CuKα","","0.0779","0.0665","","","0.1939","0.2115","","","","","","1.044","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133955","31.089","0.002","31.089","0.002","61.485","0.006","90","","90","","90","","59427","8","100","2","100.1","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C186 H283 K6 O142 -","- C186 H283 K6 O142 -","- C1488 H2264 K48 O1136 -","8","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","1.54178","CuKα","","0.0936","0.0732","","","0.1932","0.2073","","","","","","1.004","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133956","31.212","0.0012","31.212","0.0012","61.302","0.003","90","","90","","90","","59720","4","100","2","100.01","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C193 H311 K6 O154 -","- C193 H311 K6 O154 -","- C1544 H2488 K48 O1232 -","8","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","0.71073","MoKα","","0.1452","0.0736","","","0.1782","0.2147","","","","","","0.974","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133957","31.0134","0.0014","31.0134","0.0014","31.0134","0.0014","90","","90","","90","","29830","2","100","2","100.07","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C48 H80 K2 O40 -","- C48 H80 K2 O40 -","- C576 H960 K24 O480 -","12","0.25","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","0.71073","MoKα","","0.1369","0.1085","","","0.3079","0.341","","","","","","1.347","","","","has coordinates","247525","2020-10-21","18:00:00",""
"4133958","26.397","0.002","12.179","0.0011","16.274","0.0018","90","","96.21","0.003","90","","5201.2","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H62 Cl2 O10 -","- C66 H62 Cl2 O10 -","- C264 H248 Cl8 O40 -","4","0.5","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.0729","0.0528","","","0.1324","0.1477","","","","","","1.026","","","","has coordinates","247528","2020-10-21","18:00:00",""
"4133959","8.593","0.003","18.778","0.006","19.167","0.005","62.663","0.01","84.421","0.011","85.31","0.03","2732","1.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H60 O10 -","- C65 H60 O10 -","- C130 H120 O20 -","2","1","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.1935","0.1213","","","0.3163","0.3725","","","","","","1.021","","","","has coordinates,has disorder","247528","2020-10-21","18:00:00",""
"4133960","16.777","0.008","32.962","0.013","19.166","0.007","90","","91.3","0.2","90","","10596","8","373","2","373","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C65 H60 O10 -","- C65 H60 O10 -","- C520 H480 O80 -","8","2","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.1535","0.089","","","0.2247","0.2667","","","","","","1.02","","","","has coordinates,has disorder","247528","2020-10-21","18:00:00",""
"4133961","13.171","0.003","13.404","0.0013","17.673","0.0011","76.093","0.007","80.772","0.006","88.492","0.004","2989.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H66 Cl6 O10 -","- C68 H66 Cl6 O10 -","- C136 H132 Cl12 O20 -","2","1","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.0468","0.0436","","","0.1143","0.1169","","","","","","1.052","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133962","10.323","0.0015","13.772","0.0008","21.117","0.0006","107.381","0.003","86.9","0.01","99.769","0.01","2823.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66.9 H63.8 Cl3.8 O10 -","- C66.9 H63.8 Cl3.8 O10 -","- C133.8 H127.6 Cl7.6 O20 -","2","1","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.0492","0.044","","","0.1164","0.1209","","","","","","1.023","","","","has coordinates,has disorder","247528","2020-10-21","18:00:00",""
"4133963","16.0633","0.0014","13.4867","0.0011","18.5991","0.0014","90","","90","","90","","4029.3","0.6","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","[mCH]Cu(O2N)(ClO4)2","","","- C35 H49 Cl2 Cu N7 O13 -","- C35 H49 Cl2 Cu N7 O13 -","- C140 H196 Cl8 Cu4 N28 O52 -","4","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0734","0.0441","","","0.0785","0.0884","","","","","","1.018","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133964","13.007","0.004","16.788","0.005","18.574","0.006","90","","103.666","0.009","90","","3941","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[mCH]CuCl(ClO4)2","","","- C35 H49 Cl3 Cu N6 O11 -","- C35 H49 Cl3 Cu N6 O11 -","- C140 H196 Cl12 Cu4 N24 O44 -","4","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0746","0.0447","","","0.1067","0.1219","","","","","","1.019","","","","has coordinates,has disorder","247532","2020-10-21","18:00:00",""
"4133965","12.2345","0.0019","12.3329","0.0018","13.275","0.002","112.421","0.004","110.003","0.005","96.959","0.005","1665.3","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[mC]Cu(O2N)(ClO4)","","","- C33 H45.35 Cl Cu N6 O9.17 -","- C33 H45.348 Cl Cu N6 O9.174 -","- C66 H90.696 Cl2 Cu2 N12 O18.348 -","2","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0371","0.0305","","","0.0731","0.0765","","","","","","1.056","","","","has coordinates,has disorder","247532","2020-10-21","18:00:00",""
"4133966","21.826","0.002","14.923","0.0015","21.694","0.002","90","","104.035","0.003","90","","6855","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[mC]Zn(O2N)(ClO4)","","","- C33 H45 Cl N6 O9 Zn -","- C33 H45 Cl N6 O9 Zn -","- C264 H360 Cl8 N48 O72 Zn8 -","8","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.1747","0.0665","","","0.1144","0.134","","","","","","0.935","","","","has coordinates,has disorder","301835","2025-08-20","18:54:29",""
"4133967","7.1737","0.0004","9.0077","0.0005","11.2753","0.0006","78.169","0.004","76.779","0.005","84.426","0.004","693.25","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0335","0.029","","","0.0684","0.0718","","","","","","1.097","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133968","7.1724","0.0005","9.0455","0.0005","11.3389","0.0007","78.035","0.005","76.862","0.006","84.337","0.005","699.8","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0483","0.0381","","","0.0875","0.0962","","","","","","1.084","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133969","7.1985","0.0006","9.0868","0.0006","11.4367","0.0008","77.856","0.006","76.835","0.006","84.259","0.006","711.06","0.09","200","","200","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0457","0.0329","","","0.0737","0.0812","","","","","","1.057","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133970","7.1977","0.0005","9.1039","0.0005","11.47","0.0007","77.76","0.005","76.956","0.005","84.228","0.005","714.46","0.08","225","","225","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0404","0.0322","","","0.0736","0.0786","","","","","","1.052","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133971","7.2034","0.0005","9.1326","0.0005","11.5371","0.0007","77.61","0.005","76.995","0.005","84.19","0.005","721.17","0.08","250","","250","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0464","0.0329","","","0.0746","0.083","","","","","","1.03","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133972","7.2072","0.0005","9.1517","0.0005","11.5869","0.0006","77.501","0.005","77.039","0.005","84.118","0.005","725.96","0.08","265","","265","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0437","0.0357","","","0.09","0.0973","","","","","","1.042","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133973","7.2024","0.0004","9.176","0.0005","11.6626","0.0007","77.256","0.005","77.158","0.005","84.012","0.004","731.74","0.07","285","","285","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0448","0.0345","","","0.0849","0.0928","","","","","","1.047","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133974","7.2034","0.0004","9.1958","0.0006","11.7123","0.0008","77.17","0.006","77.261","0.005","83.959","0.005","736.55","0.08","290","","290","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0457","0.0357","","","0.0969","0.1065","","","","","","1.037","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133975","7.199","0.0004","9.2156","0.0005","11.7675","0.0008","76.977","0.005","77.346","0.006","83.954","0.005","740.85","0.08","295","","295","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0557","0.0404","","","0.0963","0.1095","","","","","","1.046","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133976","7.1877","0.0005","9.2267","0.0006","11.815","0.0008","76.824","0.006","77.466","0.006","83.877","0.005","743.4","0.09","297.5","0.1","297.5","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0651","0.0462","","","0.1276","0.1465","","","","","","1.044","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133977","7.167","0.0004","9.2494","0.0006","11.888","0.001","76.621","0.006","77.687","0.006","83.786","0.005","747.6","0.09","300","","300","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0377","0.0368","","","0.0994","0.1004","","","","","","1.044","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133978","7.1618","0.0005","9.2536","0.0006","11.8972","0.0009","76.583","0.006","77.727","0.006","83.757","0.005","747.94","0.09","302.5","","302.5","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0389","0.0381","","","0.0989","0.0996","","","","","","1.079","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133979","7.1683","0.0005","9.2643","0.0006","11.916","0.0008","76.588","0.006","77.763","0.006","83.749","0.006","750.78","0.09","304","","304","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0415","0.0407","","","0.1135","0.1146","","","","","","1.07","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133980","7.0229","0.0001","8.8503","0.0002","12.7614","0.0002","90","","90","","90","","793.18","0.02","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Bis(cyclopentadienyl)ruthenium(II)","","- C10 H10 Ru -","- C10 H10 Ru -","- C40 H40 Ru4 -","4","0.5","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","1.54184","CuKα","","0.019","0.0189","","","0.0531","0.0533","","","","","","1.102","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133981","11.9001","0.0003","15.8666","0.0004","22.7472","0.0005","90","","102.9","0.007","90","","4186.6","0.2","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","spiroCC","","","- C57 H40 Cl4 -","- C57 H40 Cl4 -","- C228 H160 Cl16 -","4","0.5","","Hamada, Hiroyoshi; Itabashi, Yuki; Shang, Rui; Nakamura, Eiichi","Axially Chiral Spiro-Conjugated Carbon-Bridged <i>p</i>-Phenylenevinylene Congeners: Synthetic Design and Materials Properties.","Journal of the American Chemical Society","2020","142","4","2059","2067","10.1021/jacs.9b13019","","","1.54187","CuKα","","0.0457","0.036","","","0.0867","0.0907","","","","","","1.04","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4133982","22.8962","0.00004","22.8962","0.00004","22.8962","0.00004","90","","90","","90","","12003","0.04","293","","293","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Ga27 Rb8 Sb19 -","- Ga27 Rb8 Sb19 -","- Ga216 Rb64 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","powder diffraction","x-ray","0.41275","synchrotron","","0.0514","0.0426","","0.0508","0.0499","","","","1.32","","","","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133983","22.9497","0.0008","22.9497","0.0008","22.9497","0.0008","90","","90","","90","","12087.3","0.7","100","2","100","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Cs8 Ga27 Sb19 -","- Cs8 Ga27 Sb19 -","- Cs64 Ga216 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","","","0.71073","MoKα","","0.1654","0.0715","","","0.1194","0.149","","","","","","1.031","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133984","24.462","0.0008","24.462","0.0008","24.462","0.0008","90","","90","","90","","14637.8","0.8","100","2","100","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Cs8 In27 Sb19 -","- Cs8 In27 Sb19 -","- Cs64 In216 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","","","0.71073","MoKα","","0.0334","0.0241","","","0.0533","0.0588","","","","","","1.219","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133985","24.4593","0.0007","24.4593","0.0007","24.4593","0.0007","90","","90","","90","","14633","0.7","10","2","10","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Cs8 In27 Sb19 -","- Cs8 In27 Sb19 -","- Cs64 In216 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","","","0.24797","synchrotron","","0.0134","0.0112","","","0.0331","0.0384","","","","","","1.193","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4134002","5.8422","0.0001","9.8585","0.0002","31.3192","0.0006","90","","90","","90","","1803.84","0.06","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O -","- C20 H24 Br N O -","- C80 H96 Br4 N4 O4 -","4","1","","Green, Jacob C.; Zanghi, Joseph M.; Meek, Simon J.","Diastereo- and Enantioselective Synthesis of Homoallylic Amines Bearing Quaternary Carbon Centers.","Journal of the American Chemical Society","2020","142","4","1704","1709","10.1021/jacs.9b11529","","","1.54178","CuKα","","0.0209","0.0201","","0.047","0.0467","0.047","","","","","","1.0015","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134008","11.7287","0.0006","11.3446","0.0006","12.7178","0.0007","90","","97.519","0.003","90","","1677.65","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0738","0.0454","","","0.0973","0.109","","","","","","1.015","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134009","12.5418","0.0007","14.2968","0.0008","10.9243","0.0006","90","","98.314","0.004","90","","1938.22","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 F3 N2 O2 -","- C24 H19 F3 N2 O2 -","- C96 H76 F12 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0694","0.0427","","","0.0926","0.1041","","","","","","1.024","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134010","10.1059","0.0002","14.1498","0.0003","14.8124","0.0003","64.5952","0.0011","86.5106","0.0011","71.9003","0.0012","1812.14","0.07","200","2","200.01","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","2","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0655","0.0414","","","0.101","0.1132","","","","","","1.018","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134011","6.2016","0.0003","22.6245","0.0017","13.4647","0.0007","90","","98.531","0.003","90","","1868.3","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.104","0.0625","","","0.1475","0.1665","","","","","","1.053","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134012","7.422","0.0003","27.9118","0.0009","10.1865","0.0003","90","","110.241","0.002","90","","1979.93","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl3 N2 O2 -","- C20 H19 Cl3 N2 O2 -","- C80 H76 Cl12 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0563","0.0397","","","0.0856","0.0929","","","","","","1.033","","","","has coordinates,has disorder","301835","2025-08-20","18:54:29",""
"4134013","5.9996","0.0001","11.7006","0.0002","25.9222","0.0005","90","","95.015","0.002","90","","1812.74","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0731","0.0465","","","0.1036","0.1172","","","","","","1.01","","","","has coordinates,has disorder","301835","2025-08-20","18:54:29",""
"4134014","10.2646","0.0004","10.6815","0.0004","18.9544","0.0006","90","","101.145","0.002","90","","2038.99","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0665","0.0466","","","0.0998","0.1104","","","","","","1.014","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134097","10.024","0.0004","11.6749","0.0004","11.9422","0.0004","88.059","0.001","78.739","0.001","76.405","0.001","1332.17","0.08","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C46 H74 B2 Li2 N2 O14 S2 -","- C46 H74 B2 Li2 N2 O14 S2 -","- C46 H74 B2 Li2 N2 O14 S2 -","1","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.0399","0.0346","","","0.0874","0.0907","","","","","","1.029","","","","has coordinates","247474","2020-10-21","18:00:00",""
"4134098","11.3506","0.0008","21.435","0.0015","11.6494","0.0007","90","","118.503","0.003","90","","2490.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 B Li N O6 -","- C24 H33 B Li N O6 -","- C96 H132 B4 Li4 N4 O24 -","4","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.0656","0.0394","","","0.0852","0.0947","","","","","","1.052","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134099","10.566","0.0008","17.8925","0.0015","25.953","0.002","90","","101.234","0.003","90","","4812.5","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H67 B Cu N3 O5 -","- C51 H67 B Cu N3 O5 -","- C204 H268 B4 Cu4 N12 O20 -","4","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.087","0.053","","","0.1184","0.1331","","","","","","1.035","","","","has coordinates,has disorder","247476","2020-10-21","18:00:00",""
"4134100","13.1375","0.0009","7.6331","0.0005","17.7668","0.0011","90","","90","","90","","1781.7","0.2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1151","0.0985","","","0.2697","0.2873","","","","","","1.002","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134101","13.1772","0.0009","7.6745","0.0005","17.759","0.002","90","","90","","90","","1795.9","0.3","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1267","0.1068","","","0.286","0.309","","","","","","1.002","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134102","13.1942","0.0012","7.7179","0.0006","17.793","0.003","90","","90","","90","","1811.9","0.4","273","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1281","0.1046","","","0.2894","0.3123","","","","","","1.003","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134103","11.6748","0.0007","15.0381","0.001","36.178","0.002","90","","90","","90","","6351.7","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H43 N3 -","- C40 H43 N3 -","- C320 H344 N24 -","8","1","","An, Feng; Maji, Biplab; Min, Elizabeth; Ofial, Armin R.; Mayr, Herbert","Basicities and Nucleophilicities of Pyrrolidines and Imidazolidinones Used as Organocatalysts.","Journal of the American Chemical Society","2020","142","3","1526","1547","10.1021/jacs.9b11877","","","0.71073","MoKα","","0.0801","0.0486","","","0.088","0.0979","","","","","","1.066","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134104","11.7135","0.0014","14.8409","0.0015","12.0272","0.0013","90","","106.018","0.004","90","","2009.6","0.4","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br N3 -","- C25 H22 Br N3 -","- C100 H88 Br4 N12 -","4","1","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.0543","0.0481","","","0.13","0.1363","","","","","","1.044","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134105","6.1625","0.0005","8.0217","0.0007","12.3804","0.0011","91.478","0.007","97.316","0.007","111.443","0.008","563.27","0.09","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H25 Br N2 O -","- C27 H25 Br N2 O -","- C27 H25 Br N2 O -","1","1","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.0639","0.0545","","","0.1365","0.1418","","","","","","1.029","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134106","9.9079","0.0014","17.101","0.003","21.218","0.004","90","","97.44","0.005","90","","3564.8","1","273","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 -","- C23 H24 N2 -","- C184 H192 N16 -","8","2","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.1241","0.0926","","","0.2525","0.2996","","","","","","1.1796","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134107","51.021","0.003","8.3783","0.0007","8.2874","0.0006","90","","90","","90","","3542.6","0.4","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C40 H144 Br40 N16 Sn12 -","4","0.5","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.1423","0.1029","","","0.2531","0.2775","","","","","","1.103","","","","has coordinates","247485","2020-10-21","18:00:00",""
"4134108","5.9165","0.0008","5.9165","0.0008","51.658","0.007","90","","90","","90","","1808.3","0.4","373","2","373","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C20 H72 Br20 N8 Sn6 -","2","0.125","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.0836","0.0431","","","0.0924","0.1123","","","","","","1.03","","","","has coordinates,has disorder","247486","2020-10-21","18:00:00",""
"4134109","8.3285","0.0003","51.1418","0.0017","8.3709","0.0003","90","","90","","90","","3565.5","0.2","330","2","330","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C40 H144 Br40 N16 Sn12 -","4","0.25","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.089","0.0628","","","0.175","0.2008","","","","","","1.007","","","","has coordinates","247487","2020-10-21","18:00:00",""
"4134110","28.1578","0.0002","10.3555","0.0001","12.9667","0.0001","90","","93.156","0.001","90","","3775.2","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C176 H208 N16 O24 -","8","1","","Haelsig, Karl T.; Xuan, Jun; Maimone, Thomas J.","Total Synthesis of (-)-Curvulamine.","Journal of the American Chemical Society","2020","142","3","1206","1210","10.1021/jacs.9b12546","","","1.54184","CuKα","","0.0415","0.0393","","","0.1061","0.1079","","","","","","1.07","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134114","4.5618","0.0004","16.2462","0.0015","24.088","0.002","90","","91.259","0.01","90","","1784.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","o-phenanthroline / 1,4-diiodotetrafluorobenzene","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0763","0.048","","","0.103","0.1092","","","","","","1.029","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134115","10.4907","0.0002","5.5679","0.0001","23.0787","0.0004","90","","90.765","0.001","90","","1347.93","0.04","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","acr-tfib 2/1","acridine-tetrafluoro-1,4-dioodobenzene 2/1","","- C32 H18 F4 I2 N2 -","- C32 H18 F4 I2 N2 -","- C64 H36 F8 I4 N4 -","2","0.5","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0514","0.0346","","","0.096","0.1249","","","","","","1.214","","","","has coordinates","247493","2020-10-21","18:00:00",""
"4134116","11.0573","0.0004","5.7031","0.0002","14.0136","0.0006","90","","106.908","0.003","90","","845.51","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,3,5,6-tetramethylpyrazine / 1,4-diiodotetrafluorobenzene","2,3,5,6-tetramethylpyrazine / 1,4-diiodotetrafluorobenzene","","- C14 H12 F4 I2 N2 -","- C14 H12 F4 I2 N2 -","- C28 H24 F8 I4 N4 -","2","0.5","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0586","0.0297","","","0.0675","0.0785","","","","","","1","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134117","8.6329","0.0012","9.156","0.0013","12.5796","0.0018","99.119","0.002","100.021","0.003","90.017","0.002","966.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","5-fluorouracil","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C32 H24 F8 N16 O16 -","8","4","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0661","0.0491","","","0.1112","0.1216","","","","","","1.017","","","","has coordinates","247495","2020-10-21","18:00:00",""
"4134118","16.8553","0.0004","12.3832","0.0003","37.1996","0.0008","90","","93.846","0.002","90","","7746.9","0.3","170","0.1","170","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H51 N O2 -","- C49 H51 N O2 -","- C392 H408 N8 O16 -","8","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1141","0.0818","","","0.2209","0.2584","","","","","","1.042","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134119","14.2903","0.0005","17.0847","0.0004","17.5892","0.0005","90","","97.972","0.003","90","","4252.8","0.2","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H52 Cl3 N -","- C51 H52 Cl3 N -","- C204 H208 Cl12 N4 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1603","0.1252","","","0.3612","0.3981","","","","","","1.471","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134120","33.0129","0.0012","14.4043","0.0005","25.2944","0.001","90","","112.475","0.004","90","","11114.6","0.8","100.2","0.9","100.2","0.9","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C67.53 H61.29 Cl3.64 -","- C67.557 H61.294 Cl3.647 -","- C540.456 H490.352 Cl29.176 -","8","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1453","0.1151","","","0.3206","0.3593","","","","","","1.294","","","","has coordinates,has disorder","247498","2020-10-21","18:00:00",""
"4134121","10.5901","0.0001","13.8435","0.0002","26.7612","0.0004","90","","94.326","0.001","90","","3912.12","0.09","169.99","0.11","169.99","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H59 O2 -","- C50 H59 O2 -","- C200 H236 O8 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.107","0.0703","","","0.1856","0.2035","","","","","","1.097","","","","has coordinates","247499","2020-10-21","18:00:00",""
"4134122","17.5666","0.0004","11.9458","0.0002","21.4091","0.0005","90","","111.119","0.003","90","","4190.89","0.18","169.98","0.1","169.98","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 -","- C48 H68 -","- C192 H272 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.0727","0.0702","","","0.1776","0.18","","","","","","1.076","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134123","14.1678","0.0002","17.2717","0.0003","17.8226","0.0002","90","","97.914","0.001","90","","4319.69","0.11","170","0.1","170","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H59 N -","- C50 H59 N -","- C200 H236 N4 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.0773","0.0616","","","0.1735","0.1885","","","","","","1.066","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134124","17.7064","0.0003","18.1407","0.0003","19.7159","0.0004","90","","108.079","0.002","90","","6020.2","0.2","169.99","0.11","169.99","0.11","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C82 H80 -","- C82 H80 -","- C328 H320 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1004","0.0734","","","0.1966","0.2213","","","","","","1.042","","","","has coordinates","247502","2020-10-21","18:00:00",""
"4134125","18.4244","0.0005","10.1229","0.0002","42.563","0.001","90","","99.643","0.002","90","","7826.2","0.3","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C98 H98 Cl6 -","- C98 H98 Cl6 -","- C392 H392 Cl24 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1845","0.1406","","","0.3849","0.4208","","","","","","1.421","","","","has coordinates,has disorder","247503","2020-10-21","18:00:00",""
"4134130","26.8848","0.0011","18.2115","0.0008","28.4594","0.0013","90","","90","","90","","13934.1","1.1","90","","90","","","","","","","","","8","P c a 21","P 2c -2ac","29","","C75H72BCl8F4N4O3Ru","","- C75 H71 B Cl8 F4 N4 O3 Ru -","- C75 H71 B Cl8 F4 N4 O3 Ru -","- C600 H568 B8 Cl64 F32 N32 O24 Ru8 -","8","2","","Zhang, Yutong; Diver, Steven T.","A Macrocyclic Ruthenium Carbene for Size-Selective Alkene Metathesis.","Journal of the American Chemical Society","2020","142","7","3371","3374","10.1021/jacs.0c00081","","","0.71073","MoKα","","0.0916","0.0687","","","0.1789","0.1981","","","","","","1.036","","","","has coordinates,has disorder","248710","2020-10-21","18:00:00",""
"4134138","9.587","0.0002","13.1727","0.0003","16.0211","0.0003","91.788","0.002","91.228","0.001","91.613","0.002","2020.96","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Pd(PCy3)2(OAc)2","","","- C40 H72 O4 P2 Pd -","- C40 H72 O4 P2 Pd -","- C80 H144 O8 P4 Pd2 -","2","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0306","0.026","","","0.0641","0.0659","","","","","","1.053","","","","has coordinates,has disorder","301835","2025-08-20","18:54:29",""
"4134139","10.2937","0.0003","13.7632","0.0003","17.3117","0.0004","87.089","0.002","73.891","0.002","76.606","0.002","2291.99","0.1","169.97","0.18","169.97","0.18","","","","","","","","6","P -1","-P 1","2","Pd(PCy3)2(OAc)(SO2C6H4Me)","","","- C45 H76 O4 P2 Pd S -","- C45 H76 O4 P2 Pd S -","- C90 H152 O8 P4 Pd2 S2 -","2","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0304","0.0259","","","0.0622","0.0642","","","","","","1.053","","","","has coordinates","248712","2020-10-21","18:00:00",""
"4134140","10.0029","0.0002","29.0336","0.0008","11.5546","0.0003","90","","97.295","0.002","90","","3328.53","0.14","169.98","0.1","169.98","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Pd(PCy3)(SO2C5H3N)2","","","- C29 H43 Cl2 N2 O4 P Pd S2 -","- C29 H43 Cl2 N2 O4 P Pd S2 -","- C116 H172 Cl8 N8 O16 P4 Pd4 S8 -","4","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0326","0.0252","","","0.0535","0.0559","","","","","","1.019","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134141","13.3684","0.0004","24.2919","0.0006","9.5064","0.0002","90","","99.501","0.002","90","","3044.8","0.14","169.99","0.1","169.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(4-F-C6H4)Pd(PCy3)(SO2C6H4Me)]2","","","- C62 H88 F2 O4 P2 Pd2 S2 -","- C62 H88 F2 O4 P2 Pd2 S2 -","- C124 H176 F4 O8 P4 Pd4 S4 -","2","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0541","0.0408","","","0.0769","0.0802","","","","","","1.163","","","","has coordinates","248712","2020-10-21","18:00:00",""
"4134142","13.5764","0.001","24.6","0.002","9.5037","0.0006","90","","100.444","0.007","90","","3121.5","0.4","150","0.19","150","0.19","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(4-F-C6H4)Pd(PCy3)(SO2C6H4CF3)]2","","","- C62 H82 F8 O4 P2 Pd2 S2 -","- C62 H82 F8 O4 P2 Pd2 S2 -","- C124 H164 F16 O8 P4 Pd4 S4 -","2","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0669","0.0611","","","0.1464","0.1502","","","","","","1.071","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134143","33.707","0.002","9.0995","0.0003","27.7743","0.0018","90","","130.842","0.011","90","","6444.6","1.2","169.98","0.1","169.98","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","(4-F-C6H4)Pd(PCy3)(SO2C6H4N)","","","- C32 H48 F N O2 P Pd S -","- C32 H48 F N O2 P Pd S -","- C256 H384 F8 N8 O16 P8 Pd8 S8 -","8","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0588","0.0386","","","0.0814","0.0886","","","","","","1.059","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134144","8.8944","0.0003","10.3439","0.0003","17.8359","0.0007","79.425","0.003","82.298","0.003","78.361","0.002","1571.88","0.1","150.01","0.12","150.01","0.12","","","","","","","","9","P -1","-P 1","2","(4-F-C6H4)Pd(PCy3)(SO2C6H3NOMe)","","","- C30.5 H44 Cl F N O3 P Pd S -","- C30.5 H44 Cl F N O3 P Pd S -","- C61 H88 Cl2 F2 N2 O6 P2 Pd2 S2 -","2","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0341","0.0292","","","0.0703","0.0734","","","","","","1.037","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134145","12.1932","0.0007","13.162","0.0007","13.4651","0.0008","64.568","0.005","86.354","0.005","77.968","0.005","1907.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","9","P -1","-P 1","2","(4-F-C6H4)Pd(PCy3)(SO2C6H3NtBu)","","","- C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -","- C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -","- C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -","1","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.057","0.0463","","","0.1187","0.1324","","","","","","1.034","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134146","9.7818","0.0003","13.9735","0.0004","33.9579","0.0009","90","","90","","90","","4641.6","0.2","169.98","0.1","169.98","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","(4-F-C6H4)Pd(PCy3)2(SO2C6H4Me)","","","- C47.95 H75.95 Br0.15 F O1.7 P2 Pd S0.85 -","- C47.95 H75.95 Br0.15 F O1.7 P2 Pd S0.85 -","- C191.8 H303.8 Br0.6 F4 O6.8 P8 Pd4 S3.4 -","4","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.055","0.0468","","","0.0989","0.102","","","","","","1.108","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134147","9.5185","0.0006","13.3787","0.0006","14.2586","0.0008","62.876","0.005","78.221","0.005","78.401","0.004","1569.84","0.17","150.01","0.11","150.01","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C62 H88 F2 O6 P2 Pd2 S2 -","- C62 H88 F2 O6 P2 Pd2 S2 -","- C62 H88 F2 O6 P2 Pd2 S2 -","1","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0851","0.0685","","","0.1942","0.2221","","","","","","1.055","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134148","10.5859","0.0001","20.2148","0.0002","28.1308","0.0003","90","","95.53","0.001","90","","5991.75","0.1","150","0.13","150","0.13","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 F4 N O2 P Pd S -","- C30 H40 F4 N O2 P Pd S -","- C240 H320 F32 N8 O16 P8 Pd8 S8 -","8","2","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0315","0.0275","","","0.0663","0.0687","","","","","","1.051","","","","has coordinates","248712","2020-10-21","18:00:00",""
"4134149","11.2702","0.0007","11.8317","0.0007","12.8794","0.001","100.208","0.003","90.767","0.003","110.714","0.003","1575.56","0.19","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H90 N6 O4 Ru -","- C72 H90 N6 O4 Ru -","- C72 H90 N6 O4 Ru -","1","0.5","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH<sub>3</sub> through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","x-ray","0.71073","MoKα","","0.0876","0.0643","","","0.1407","0.1521","","","","","","1.027","","","","has coordinates,has disorder","301835","2025-08-20","18:54:29",""
"4134150","9.6158","0.0009","10.5411","0.001","13.8499","0.0014","99.752","0.003","106.021","0.004","98.98","0.004","1299","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H36 O -","- C33 H36 O -","- C66 H72 O2 -","2","1","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH<sub>3</sub> through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","","0.71073","MoKα","","0.0666","0.0521","","","0.132","0.1433","","","","","","1.031","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134151","9.8007","0.0008","15.2538","0.001","18.072","0.0012","90","","90.781","0.003","90","","2701.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H73 N O2 -","- C68 H73 N O2 -","- C136 H146 N2 O4 -","2","1","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH<sub>3</sub> through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","","0.71073","MoKα","","0.0592","0.0501","","","0.12","0.1263","","","","","","1.016","","","","has coordinates","248711","2020-10-21","18:00:00",""
"4134159","25.574","0.005","27.719","0.006","29.313","0.006","90","","108.43","0.03","90","","19714","8","153","2","153","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H133 F12 N2 O12 P2 -","- C102 H133 F12 N2 O12 P2 -","- C816 H1064 F96 N16 O96 P16 -","8","1","","Jia, Fei; Schröder, Hendrik V; Yang, Liu-Pan; von Essen, Carolina; Sobottka, Sebastian; Sarkar, Biprajit; Rissanen, Kari; Jiang, Wei; Schalley, Christoph A.","Redox-Responsive Host-Guest Chemistry of a Flexible Cage with Naphthalene Walls.","Journal of the American Chemical Society","2020","142","7","3306","3310","10.1021/jacs.9b11685","","","0.71073","MoKα","","0.1368","0.077","","","0.1705","0.2076","","","","","","1.02","","","","has coordinates","248709","2020-10-21","18:00:00",""
"4134164","10.0903","0.0005","16.1879","0.0007","14.6275","0.0006","90","","90","","90","","2389.27","0.19","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H34 Co N7 O2 -","- C18 H34 Co N7 O2 -","- C72 H136 Co4 N28 O8 -","4","0.5","","Wang, Junhao; Zakrzewski, Jakub J.; Heczko, Michal; Zychowicz, Mikolaj; Nakagawa, Kosuke; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Proton Conductive Luminescent Thermometer Based on Near-Infrared Emissive {YbCo<sub>2</sub>} Molecular Nanomagnets.","Journal of the American Chemical Society","2020","142","8","3970","3979","10.1021/jacs.9b13147","","x-ray","0.71075","MoKα","","0.1824","0.1617","","","0.2585","0.2664","","","","","","1.417","","","","has coordinates,has disorder","248703","2020-10-21","18:00:00",""
"4134165","12.7427","0.001","12.7427","0.001","19.2613","0.0007","90","","90","","90","","3127.6","0.4","90","2","90","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C36 H83 Co2 N24 O8 P4 Yb -","- C36 H83 Co2 N24 O8 P4 Yb -","- C72 H166 Co4 N48 O16 P8 Yb2 -","2","0.0625","","Wang, Junhao; Zakrzewski, Jakub J.; Heczko, Michal; Zychowicz, Mikolaj; Nakagawa, Kosuke; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Proton Conductive Luminescent Thermometer Based on Near-Infrared Emissive {YbCo<sub>2</sub>} Molecular Nanomagnets.","Journal of the American Chemical Society","2020","142","8","3970","3979","10.1021/jacs.9b13147","","x-ray","0.71075","MoKα","","0.0678","0.0672","","","0.1696","0.1704","","","","","","1.098","","","","has coordinates,has disorder","248703","2020-10-21","18:00:00",""
"4134166","9.9436","0.0003","10.0616","0.0003","33.1823","0.001","90","","94.971","0.001","90","","3307.35","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H32 B2 N2 O2 -","- C23 H32 B2 N2 O2 -","- C138 H192 B12 N12 O12 -","6","3","","Viereck, Peter; Krautwald, Simon; Pabst, Tyler P.; Chirik, Paul J.","A Boron Activating Effect Enables Cobalt-Catalyzed Asymmetric Hydrogenation of Sterically Hindered Alkenes.","Journal of the American Chemical Society","2020","142","8","3923","3930","10.1021/jacs.9b12214","","","1.54178","CuKα","","0.0483","0.0461","","","0.1253","0.1281","","","","","","1.123","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134167","12.8184","0.0005","14.4126","0.0006","13.8468","0.0005","90","","98.915","0.001","90","","2527.24","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 B3 N4 O2 -","- C28 H31 B3 N4 O2 -","- C112 H124 B12 N16 O8 -","4","2","","Viereck, Peter; Krautwald, Simon; Pabst, Tyler P.; Chirik, Paul J.","A Boron Activating Effect Enables Cobalt-Catalyzed Asymmetric Hydrogenation of Sterically Hindered Alkenes.","Journal of the American Chemical Society","2020","142","8","3923","3930","10.1021/jacs.9b12214","","","1.54178","CuKα","","0.0467","0.0464","","","0.1247","0.1251","","","","","","1.038","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134168","13.6508","0.0005","6.5437","0.0002","16.043","0.0005","90","","96.376","0.003","90","","1424.2","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 B O2 -","- C16 H21 B O2 -","- C64 H84 B4 O8 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0681","0.0504","","","0.1082","0.1172","","","","","","1.031","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134169","16.4821","0.0011","11.7361","0.0007","12.1569","0.0007","90","","110.168","0.007","90","","2207.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B2 O4 -","- C22 H32 B2 O4 -","- C88 H128 B8 O16 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0936","0.0713","","","0.1815","0.1906","","","","","","0.99","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134170","12.6555","0.0004","11.109","0.0004","9.1227","0.0004","90","","98.759","0.004","90","","1267.6","0.08","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F3 -","- C17 H13 F3 -","- C68 H52 F12 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0629","0.0464","","","0.0975","0.1063","","","","","","1.063","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134171","6.0297","0.0002","17.3499","0.0005","18.4258","0.0007","69.193","0.003","84.17","0.003","86.052","0.003","1791.46","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C96 H78 N6 O12 -","6","3","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1","0.0576","","","0.1145","0.1306","","","","","","1.013","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134172","6.1082","0.0002","7.4449","0.0002","13.477","0.0005","90","","94.885","0.003","90","","610.64","0.03","150","0.14","150","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O -","- C17 H16 O -","- C34 H32 O2 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0518","0.0425","","","0.0871","0.0907","","","","","","1.026","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134173","14.0151","0.0005","6.2442","0.0002","24.7473","0.0008","90","","101.462","0.004","90","","2122.52","0.13","150","2","150","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C14 H12 S -","- C14 H12 S -","- C112 H96 S8 -","8","2","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0478","0.0397","","","0.0832","0.087","","","","","","1.028","","","","has coordinates,has disorder","248706","2020-10-21","18:00:00",""
"4134174","9.8589","0.0007","7.7089","0.0005","48.243","0.003","90","","90","","90","","3666.5","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 F6 -","- C24 H16 F6 -","- C192 H128 F48 -","8","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1475","0.0879","","","0.1446","0.1673","","","","","","1.11","","","","has coordinates,has disorder","301835","2025-08-20","18:54:29",""
"4134175","10.598","0.0004","11.569","0.0005","14.0558","0.0006","90","","91.353","0.004","90","","1722.88","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O4 -","- C22 H16 N2 O4 -","- C88 H64 N8 O16 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1072","0.0557","","","0.0943","0.1125","","","","","","1.007","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134176","5.9688","0.0003","9.4191","0.0005","12.889","0.0006","109.12","0.005","92.769","0.004","96.001","0.004","678.27","0.06","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C36 H28 N8 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0741","0.0473","","","0.0912","0.1007","","","","","","1.039","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134177","11.54","0.003","23.458","0.005","6.0948","0.0011","90","","92.458","0.018","90","","1648.4","0.6","150","0.14","150","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F3 -","- C23 H17 F3 -","- C92 H68 F12 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.2016","0.1052","","","0.2526","0.3094","","","","","","1.027","","","","has coordinates,has disorder","301835","2025-08-20","18:54:29",""
"4134178","6.0199","0.0005","10.2544","0.0008","13.5415","0.001","77.465","0.006","79.509","0.006","86.865","0.006","802.26","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 F3 N2 -","- C21 H15 F3 N2 -","- C42 H30 F6 N4 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1036","0.0587","","","0.0964","0.1117","","","","","","1.049","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134179","14.6017","0.001","10.0834","0.0007","13.3292","0.0008","90","","90.884","0.007","90","","1962.3","0.2","149.9","0.2","149.9","0.2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C28 H22 -","- C28 H22 -","- C112 H88 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0885","0.0554","","","0.0967","0.1102","","","","","","1.017","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134180","12.0859","0.0008","14.622","0.0008","11.3077","0.0007","90","","90","","90","","1998.3","0.2","150.1","0.2","150.1","0.2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 -","- C13 H12 N2 -","- C104 H96 N16 -","8","2","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0753","0.0525","","","0.0929","0.1027","","","","","","1.031","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4134181","5.9975","0.0003","10.0967","0.0005","13.1405","0.0008","108.776","0.005","90.715","0.005","96.917","0.004","746.78","0.07","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C22 H18 -","- C22 H18 -","- C44 H36 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0547","0.0445","","","0.1004","0.1066","","","","","","1.04","","","","has coordinates","301835","2025-08-20","18:54:30",""
"4134182","10.8015","0.0002","17.679","0.0003","19.6851","0.0014","90","","90","","90","","3759.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H34 Au Cl O5 P2 -","- C41 H34 Au Cl O5 P2 -","- C164 H136 Au4 Cl4 O20 P8 -","4","1","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","","1.54187","CuKα","","0.0386","0.0362","","","0.0839","0.0869","","","","","","1.082","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134183","11.26267","0.00018","19.0781","0.0004","31.7278","0.0006","90","","90","","90","","6817.4","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H25 Au Cl2 O3 P2 -","- C38 H25 Au Cl2 O3 P2 -","- C304 H200 Au8 Cl16 O24 P16 -","8","2","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","x-ray","0.71073","MoKα","","0.0661","0.0437","","","0.0874","0.0927","","","","","","1.045","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134184","6.6896","0.0003","8.6995","0.0003","28.863","0.002","90","","90","","90","","1679.72","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","","1.54187","CuKα","","0.0326","0.0297","","","0.0747","0.0789","","","","","","1.075","","","","has coordinates","301835","2025-08-20","18:54:30",""
"4134185","8.2617","0.0002","10.119","0.0003","19.4887","0.0005","90","","90","","90","","1629.26","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.0404","0.0372","","","0.0967","0.1003","","","","","","1.026","","","","has coordinates","301835","2025-08-20","18:54:30",""
"4134186","10.8561","0.0001","10.8561","0.0001","41.1767","0.0006","90","","90","","90","","4852.88","0.09","179.99","0.1","179.99","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C25 H36 O6 Si -","- C25 H36 O6 Si -","- C200 H288 O48 Si8 -","8","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0359","0.0334","","","0.0873","0.0888","","","","","","1.017","","","","has coordinates","301835","2025-08-20","18:54:30",""
"4134187","10.2109","0.0002","13.271","0.0002","14.7561","0.0002","90","","90","","90","","1999.58","0.06","180","0.2","180","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Br O5 -","- C22 H27 Br O5 -","- C88 H108 Br4 O20 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0294","0.0266","","","0.0682","0.0696","","","","","","1.05","","","","has coordinates","301835","2025-08-20","18:54:30",""
"4134188","13.6338","0.0005","11.3956","0.0003","16.6242","0.0005","90","","110.443","0.004","90","","2420.16","0.15","180","0.1","180","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 O9 -","- C26 H38 O9 -","- C104 H152 O36 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0608","0.045","","","0.1075","0.114","","","","","","1.041","","","","has coordinates","301835","2025-08-20","18:54:30",""
"4134189","7.2201","0.0003","16.362","0.0009","34.0093","0.0018","90","","90","","90","","4017.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C176 H224 O40 -","8","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.072","0.0421","","","0.0857","0.093","","","","","","1.052","","","","has coordinates","301835","2025-08-20","18:54:30",""
"4134190","7.0005","0.0003","7.3078","0.0003","10.9418","0.0003","71.334","0.003","87.561","0.003","84.38","0.003","527.73","0.04","179.99","0.1","179.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C23 H37 N O5 -","- C23 H37 N O5 -","- C23 H37 N O5 -","1","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0308","0.0291","","","0.0806","0.0823","","","","","","1.056","","","","has coordinates","301835","2025-08-20","18:54:30",""
"4134191","14.1237","0.0003","12.3532","0.0003","20.8073","0.0004","90","","90","","90","","3630.31","0.14","180","0.1","180","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C176 H224 O40 -","8","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.0481","0.0417","","","0.1121","0.1188","","","","","","1.029","","","","has coordinates","301835","2025-08-20","18:54:30",""
"4134192","13.5823","0.0002","10.5419","0.0002","19.9707","0.0003","90","","91.607","0.002","90","","2858.35","0.08","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 O5 Si2 -","- C28 H44 O5 Si2 -","- C112 H176 O20 Si8 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0458","0.0383","","","0.1015","0.1058","","","","","","1.015","","","","has coordinates","301835","2025-08-20","18:54:30",""
"4134193","12.7153","0.0003","8.016","0.0002","14.8477","0.0004","90","","105.261","0.002","90","","1460","0.07","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H18 Br2 O3 -","- C14 H18 Br2 O3 -","- C56 H72 Br8 O12 -","4","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.042","0.0362","","","0.0774","0.0793","","","","","","1.015","","","","has coordinates","301835","2025-08-20","18:54:30",""
"4134194","8.4588","0.0011","14.545","0.002","20.429","0.003","90","","90","","90","","2513.4","0.6","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O2 S -","- C30 H27 N O2 S -","- C120 H108 N4 O8 S4 -","4","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0492","0.0405","","","0.0918","0.0967","","","","","","1.046","","","","has coordinates","301835","2025-08-20","18:54:30",""
"4134195","8.6108","0.0009","16.6846","0.0017","17.8727","0.0019","90","","90","","90","","2567.7","0.5","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O3 S -","- C27 H30 N2 O3 S -","- C108 H120 N8 O12 S4 -","4","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0449","0.0388","","","0.0886","0.0914","","","","","","1.07","","","","has coordinates","301835","2025-08-20","18:54:30",""
"4134196","8.4797","0.0014","9.7632","0.0017","13.361","0.002","90","","101.819","0.007","90","","1082.7","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O5 S2 -","- C23 H23 N O5 S2 -","- C46 H46 N2 O10 S4 -","2","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0431","0.0421","","","0.1074","0.1084","","","","","","1.034","","","","has coordinates","301835","2025-08-20","18:54:30",""
"4134197","11.04683","0.00014","9.43212","0.00012","16.266","0.0002","90","","96.9247","0.0012","90","","1682.47","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O9 -","- C37 H45 N O9 -","- C74 H90 N2 O18 -","2","1","","Mayfield, Andrew B.; Metternich, Jan B.; Trotta, Adam H.; Jacobsen, Eric N.","Stereospecific Furanosylations Catalyzed by Bis-thiourea Hydrogen-Bond Donors.","Journal of the American Chemical Society","2020","142","8","4061","4069","10.1021/jacs.0c00335","","","1.54178","CuKα","","0.0352","0.0341","","","0.0905","0.0913","","","","","","1.069","","","","has coordinates","301835","2025-08-20","18:54:30",""
"4134198","52.0158","0.0016","8.9727","0.0003","8.9745","0.0003","90","","90","","90","","4188.6","0.2","298","2","298.01","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","0.5","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","","0.71073","MoKα","","0.0599","0.0444","","","0.1257","0.1425","","","","","","1.077","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134199","52.169","0.006","8.9731","0.0006","8.9417","0.0011","90","","90.073","0.009","90","","4185.8","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","x-ray","0.71073","MoKα","","0.0851","0.0778","","","0.087","0.0872","","","","4.89","4.89","4.59","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134200","52.424","0.01","8.9841","0.0018","8.9429","0.0018","90","","90.15","0.03","90","","4211.9","1.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H36 I10 N4 Pb3 -","- C10 H36 I10 N4 Pb3 -","- C40 H144 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","","0.71073","MoKα","","0.1587","0.0862","","","0.227","0.3164","","","","","","0.993","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134201","52.209","0.006","8.9061","0.0006","8.94","0.0011","90","","90.002","0.009","90","","4156.9","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H36 I10 N4 Pb3 -","- C10 H36 I10 N4 Pb3 -","- C40 H144 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","x-ray","0.71073","MoKα","","0.1597","0.1086","","","0.1095","0.1127","","","","5.38","5.38","4.78","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134283","15.5578","0.0001","18.7553","0.0001","43.8495","0.0003","90","","90","","90","","12794.9","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132.001 H176.002 Br2.0004 O13.0002 -","- C528.003 H704.006 Br8.0016 O52.0008 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0601","0.0536","","","0.1493","0.1554","","","","","","1.034","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134284","15.5918","0.0001","18.7392","0.0001","43.8114","0.0002","90","","90","","90","","12800.7","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Cl2 O13 -","- C132 H176 Cl2 O13 -","- C528 H704 Cl8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0542","0.0506","","","0.1463","0.1504","","","","","","1.028","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134285","15.5129","0.0004","18.7006","0.0006","44.5116","0.0019","90","","90","","90","","12912.8","0.8","100","0.01","100","0.01","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C135 H184 O13 -","- C135 H184 O13 -","- C540 H736 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.1758","0.127","","","0.3005","0.3375","","","","","","1.068","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134286","15.6034","0.0001","18.747","0.0002","43.6221","0.0004","90","","90","","90","","12760.2","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C129.98 H171.96 Cl0.99 O12.5 -","- C129.98 H171.96 Cl0.99 O12.495 -","- C519.92 H687.84 Cl3.96 O49.98 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0837","0.0713","","","0.1983","0.2112","","","","","","1.036","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134287","15.6135","0.0001","18.7515","0.0001","43.6512","0.0002","90","","90","","90","","12780","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Cl2 O13 -","- C132 H176 Cl2 O13 -","- C528 H704 Cl8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0757","0.0718","","","0.2119","0.2171","","","","","","1.028","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134288","43.9914","0.0003","18.7402","0.0001","15.6122","0.0001","90","","90","","90","","12870.8","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0933","0.0902","","","0.2706","0.2754","","","","","","1.286","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134289","43.9781","0.0005","18.7317","0.0002","15.60869","0.00016","90","","90","","90","","12858.2","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132 H176 Br2 O13 -","- C528 H704 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.089","0.0819","","","0.2392","0.2469","","","","","","1.022","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134290","15.5569","0.0001","18.739","0.0001","43.9862","0.0003","90","","90","","90","","12822.9","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.76 H173.51 Cl1.38 O12.69 -","- C130.756 H173.512 Cl1.378 O12.689 -","- C523.024 H694.048 Cl5.512 O50.756 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0686","0.0625","","","0.1783","0.1853","","","","","","1.031","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134291","15.6058","0.0001","18.7366","0.0001","43.8709","0.0003","90","","90","","90","","12827.8","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132 H176 Br2 O13 -","- C528 H704 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0865","0.0821","","","0.2409","0.2481","","","","","","1.036","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134292","15.6092","0.0001","18.736","0.0001","44.0628","0.0003","90","","90","","90","","12886.3","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0679","0.0653","","","0.1875","0.1912","","","","","","1.024","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134293","15.5652","0.0001","18.7578","0.0001","43.9214","0.0003","90","","90","","90","","12823.7","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.65 H173.29 Br1.32 O12.66 -","- C130.644 H173.288 Br1.322 O12.661 -","- C522.576 H693.152 Br5.288 O50.644 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0963","0.089","","","0.256","0.2664","","","","","","1.022","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134294","44.1945","0.0002","18.7815","0.0001","15.5563","0.0001","90","","90","","90","","12912.3","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.057","0.0528","","","0.1485","0.1522","","","","","","1.024","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134295","15.4103","0.0001","18.6023","0.0001","44.9029","0.0002","90","","90","","90","","12872.2","0.12","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C134 H182 O13 -","- C134 H182 O13 -","- C536 H728 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0381","0.0366","","","0.0997","0.1011","","","","","","1.065","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134296","15.5483","0.0001","18.7836","0.0001","44.2547","0.0003","90","","90","","90","","12924.7","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0647","0.0515","","","0.1339","0.1432","","","","","","1.027","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134297","15.6234","0.0001","18.7658","0.0001","43.5913","0.0002","90","","90","","90","","12780.3","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.13 H172.26 Br1.07 O12.53 -","- C130.128 H172.256 Br1.064 O12.532 -","- C520.512 H689.024 Br4.256 O50.128 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.077","0.0733","","","0.2104","0.2149","","","","","","1.025","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134298","15.5193","0.0001","18.6716","0.0001","44.6387","0.0006","90","","90","","90","","12935","0.2","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C135 H184 O13 -","- C135 H184 O13 -","- C540 H736 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0668","0.0525","","","0.1366","0.1473","","","","","","1.032","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134313","12.5544","0.001","15.5553","0.0011","8.5423","0.0006","90","","102.753","0.008","90","","1627.1","0.2","143","2","143","2","","","","","","","","5","C 1 c 1","C -2yc","9","RM681","","","- C18 H14 I N O3 -","- C18 H14 I N O3 -","- C72 H56 I4 N4 O12 -","4","1","","Mayer, Robert J.; Ofial, Armin R.; Mayr, Herbert; Legault, Claude Y.","Lewis Acidity Scale of Diaryliodonium Ions toward Oxygen, Nitrogen, and Halogen Lewis Bases.","Journal of the American Chemical Society","2020","142","11","5221","5233","10.1021/jacs.9b12998","","","0.71073","MoKα","","0.0328","0.0272","","","0.0395","0.0421","","","","","","1.004","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134314","13.9493","0.0005","14.2632","0.0005","16.4732","0.0006","90","","101.861","0.001","90","","3207.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RM686","","","- C19 H15 I O2 -","- C19 H15 I O2 -","- C152 H120 I8 O16 -","8","2","","Mayer, Robert J.; Ofial, Armin R.; Mayr, Herbert; Legault, Claude Y.","Lewis Acidity Scale of Diaryliodonium Ions toward Oxygen, Nitrogen, and Halogen Lewis Bases.","Journal of the American Chemical Society","2020","142","11","5221","5233","10.1021/jacs.9b12998","","","0.71073","MoKα","","0.0264","0.0193","","","0.037","0.0409","","","","","","1.11","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134364","12.0579","0.0003","6.4915","0.0002","13.4589","0.0004","90","","108.766","0.003","90","","997.48","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H15 Cl I N O -","- C7 H15 Cl I N O -","- C28 H60 Cl4 I4 N4 O4 -","4","1","","Prusinowski, Allen F.; Twumasi, Raymond K.; Wappes, Ethan A.; Nagib, David A.","<i>Vicinal</i>, Double C-H Functionalization of Alcohols via an Imidate Radical-Polar Crossover Cascade.","Journal of the American Chemical Society","2020","142","11","5429","5438","10.1021/jacs.0c01318","","","0.71073","MoKα","","0.0224","0.0211","","","0.0542","0.0548","","","","","","1.056","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134365","5.7822","0.0005","14.207","0.0011","26.733","0.002","90","","90","","90","","2196.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O6 -","- C24 H34 O6 -","- C96 H136 O24 -","4","1","","Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan","Bioinspired Synthesis of Nortriterpenoid Propindilactone G.","Journal of the American Chemical Society","2020","142","11","5007","5012","10.1021/jacs.0c00363","","","1.54178","CuKα","","0.093","0.0805","","","0.2093","0.227","","","","","","1.037","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134366","6.221","0.0004","18.4005","0.0011","20.3992","0.0015","90","","90","","90","","2335.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O7 -","- C24 H38 O7 -","- C96 H152 O28 -","4","1","","Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan","Bioinspired Synthesis of Nortriterpenoid Propindilactone G.","Journal of the American Chemical Society","2020","142","11","5007","5012","10.1021/jacs.0c00363","","","1.54178","CuKα","","0.1384","0.0667","","","0.1709","0.2302","","","","","","1.044","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134372","13.2381","0.0011","13.2381","0.0011","4.0646","0.0003","90","","90","","90","","712.31","0.1","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs4 Cu20 Se12 -","4","0.25","","Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming","α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.","Journal of the American Chemical Society","2020","142","11","5293","5303","10.1021/jacs.0c00062","","","0.71073","MoKα","","0.0872","0.0653","","","0.1351","0.1435","","","","","","1.232","","","","has coordinates","250068","2020-10-21","18:00:00",""
"4134373","13.2692","0.0007","13.2692","0.0007","4.0748","0.0003","90","","90","","90","","717.46","0.08","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs4 Cu20 Se12 -","4","0.25","","Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming","α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.","Journal of the American Chemical Society","2020","142","11","5293","5303","10.1021/jacs.0c00062","","","0.71073","MoKα","","0.0549","0.0468","","","0.1173","0.1237","","","","","","1.079","","","","has coordinates","250068","2020-10-21","18:00:00",""
"4134374","13.2026","0.0012","13.2026","0.0012","4.0499","0.0003","90","","90","","90","","705.93","0.1","100","2","100","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs4 Cu20 Se12 -","4","0.25","","Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming","α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.","Journal of the American Chemical Society","2020","142","11","5293","5303","10.1021/jacs.0c00062","","","0.71073","MoKα","","0.0717","0.0518","","","0.0941","0.1042","","","","","","1.124","","","","has coordinates","250068","2020-10-21","18:00:00",""
"4134375","12.723","0.003","12.723","0.003","25.81","0.007","90","","90","","120","","3618.2","1.6","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H50 Cu6 N6 O34.47 S8 -","- C12 H50 Cu6 N6 O34.474 S8 -","- C36 H150 Cu18 N18 O103.422 S24 -","3","0.166667","","Sorolla, 2nd, Maurice; Wang, Xiqu; Koo, Hyun-Joo; Whangbo, Myung-Hwan; Jacobson, Allan J.","Synthesis of the Elusive <i>S</i> = <sup>1</sup>/<sub>2</sub> Star Structure: A Possible Quantum Spin Liquid Candidate.","Journal of the American Chemical Society","2020","142","11","5013","5016","10.1021/jacs.0c00901","","","0.71073","MoKα","","0.0288","0.0258","","","0.0686","0.0699","","","","","","1.223","","","","has coordinates,has disorder","250070","2020-10-21","18:00:00",""
"4134376","32.134","0.005","5.583","0.0004","20.509","0.003","90","","109.643","0.007","90","","3465.3","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Marek147 (Veeru)","","","- C18 H25 F O2 -","- C18 H25 F O2 -","- C144 H200 F8 O16 -","8","1","","Lanke, Veeranjaneyulu; Marek, Ilan","Nucleophilic Substitution at Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2020","142","12","5543","5548","10.1021/jacs.0c01133","","","0.71073","MoKα","","0.161","0.0827","","","0.1537","0.1804","","","","","","1.057","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134377","5.893","0.004","9.976","0.007","13.552","0.006","108.412","0.002","94.764","0.001","104.611","0.003","719.9","0.8","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Marek155b (Veeru)","","","- C30 H44 F2 O4 -","- C30 H44 F2 O4 -","- C30 H44 F2 O4 -","1","0.5","","Lanke, Veeranjaneyulu; Marek, Ilan","Nucleophilic Substitution at Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2020","142","12","5543","5548","10.1021/jacs.0c01133","","","0.71073","MoKα","","0.0822","0.051","","","0.1196","0.1332","","","","","","1.017","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134378","8.8382","0.0007","15.3641","0.0016","28.9948","0.0019","92.772","0.006","97.63","0.003","96.14","0.004","3872.2","0.6","152","2","152.1","","","","","","","","","6","P -1","-P 1","2","","","","- C168 H198 Cl4 Ge4 N16 O -","- C168 H198 Cl4 Ge4 N16 O -","- C168 H198 Cl4 Ge4 N16 O -","1","0.5","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.1007","0.0838","","","0.197","0.2073","","","","","","1.071","","","","has coordinates,has disorder","250073","2020-10-21","18:00:00",""
"4134379","8.939","0.0018","17.513","0.004","26.736","0.005","90","","97.91","0.03","90","","4145.7","1.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 Cl4 Ge2 N4 -","- C41 H46 Cl4 Ge2 N4 -","- C164 H184 Cl16 Ge8 N16 -","4","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.68879","synchrotron","","0.0738","0.0705","","","0.2508","0.2576","","","","","","1.017","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134380","9.0522","0.0006","12.8275","0.0009","25.9222","0.0019","85.175","0.003","82.476","0.003","78.104","0.003","2914.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H50 Cl12 Ge N4 O4 -","- C55 H50 Cl12 Ge N4 O4 -","- C110 H100 Cl24 Ge2 N8 O8 -","2","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.0658","0.053","","","0.1112","0.1174","","","","","","1.067","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134381","27.994","0.004","8.6238","0.0012","40.445","0.006","90","","109.698","0.011","90","","9193","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 F5 Ge N5 -","- C52 H52 F5 Ge N5 -","- C416 H416 F40 Ge8 N40 -","8","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.1306","0.0593","","","0.106","0.1258","","","","","","1.011","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134382","11.1696","0.0006","18.5499","0.001","22.1637","0.0011","75.451","0.002","77.193","0.002","74.606","0.003","4226","0.4","150","2","150.02","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H51 Ge I N4 -","- C47 H51 Ge I N4 -","- C188 H204 Ge4 I4 N16 -","4","2","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.0744","0.0532","","","0.1","0.1082","","","","","","1.152","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134383","13.9768","0.0002","14.7308","0.0003","22.7506","0.0004","90","","91.163","0.001","90","","4683.14","0.14","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H58 Ge N4 -","- C53 H58 Ge N4 -","- C212 H232 Ge4 N16 -","4","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.0547","0.0347","","","0.0814","0.09","","","","","","1.018","","","","has coordinates,has disorder","250073","2020-10-21","18:00:00",""
"4134385","19.931","0.002","5.9364","0.0007","27.721","0.003","90","","104.107","0.002","90","","3181","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Br2 N O2 -","- C22 H25 Br2 N O2 -","- C132 H150 Br12 N6 O12 -","6","3","","Lin, Yingfu; Hirschi, William J.; Kunadia, Anuj; Paul, Anirudra; Ghiviriga, Ion; Abboud, Khalil A.; Karugu, Rachael W.; Vetticatt, Mathew J.; Hirschi, Jennifer S.; Seidel, Daniel","A Selenourea-Thiourea Brønsted Acid Catalyst Facilitates Asymmetric Conjugate Additions of Amines to α,β-Unsaturated Esters.","Journal of the American Chemical Society","2020","142","12","5627","5635","10.1021/jacs.9b12457","","","0.71073","MoKα","","0.0609","0.0586","","","0.1215","0.1223","","","","","","1.196","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134387","22.4784","0.0003","24.2398","0.0003","25.1777","0.0003","90","","90","","90","","13718.6","0.3","140","0.1","140","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C77 H67.5 N2.5 O4 Pr Si4 -","- C77 H67.5 N2.5 O4 Pr Si4 -","- C616 H540 N20 O32 Pr8 Si32 -","8","2","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","0.71073","MoKα","","0.0472","0.0406","","","0.1008","0.1075","","","","","","1.076","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4134388","13.1036","0.0008","14.9076","0.001","22.4578","0.0012","83.344","0.005","81.037","0.005","64.588","0.006","3908.2","0.5","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H84 K O7 Pr Si4 -","- C84 H84 K O7 Pr Si4 -","- C168 H168 K2 O14 Pr2 Si8 -","2","1","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","1.54184","CuKα","","0.1321","0.1108","","","0.2981","0.3102","","","","","","1.133","","","","has coordinates,has disorder","250080","2020-10-21","18:00:00",""
"4134389","25.6668","0.0003","15.04611","0.00014","33.6749","0.0003","90","","95.9196","0.0009","90","","12935.4","0.2","139.99","0.1","139.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H198 Cl3 K3 O26 Pr2 Si10 -","- C84 H198 Cl3 K3 O26 Pr2 Si10 -","- C336 H792 Cl12 K12 O104 Pr8 Si40 -","4","0.5","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","1.54184","CuKα","","0.0439","0.0433","","","0.1131","0.1136","","","","","","1.123","","","","has coordinates,has disorder","250080","2020-10-21","18:00:00",""
"4134390","13.6969","0.0003","5.6945","0.0001","22.0831","0.0006","90","","93.3","0.001","90","","1719.56","0.07","163","2","163.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 I N -","- C19 H22 I N -","- C76 H88 I4 N4 -","4","1","","Cong, Xuefeng; Zhan, Gu; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Diastereodivergent [3 + 2] Annulation of Aromatic Aldimines with Alkenes via C-H Activation by Half-Sandwich Rare-Earth Catalysts.","Journal of the American Chemical Society","2020","142","12","5531","5537","10.1021/jacs.0c01171","","","0.71073","MoKα","","0.018","0.0173","","","0.0422","0.0426","","","","","","1.109","","","","has coordinates","250075","2020-10-21","18:00:00",""
"4134391","8.8516","0.0012","9.0513","0.0012","13.0251","0.0018","92.455","0.004","108.753","0.004","115.373","0.004","872.7","0.2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 I N -","- C19 H22 I N -","- C38 H44 I2 N2 -","2","1","","Cong, Xuefeng; Zhan, Gu; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Diastereodivergent [3 + 2] Annulation of Aromatic Aldimines with Alkenes via C-H Activation by Half-Sandwich Rare-Earth Catalysts.","Journal of the American Chemical Society","2020","142","12","5531","5537","10.1021/jacs.0c01171","","","0.71073","MoKα","","0.0368","0.034","","","0.0909","0.0931","","","","","","1.047","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134392","35.2184","0.0004","33.427","0.0004","37.3137","0.0004","90","","95.8588","0.001","90","","43697.9","0.9","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C724 H819 B48 Cl8 F192 N97 O110 Pd24 -","- C724 H819 B48 Cl8 F192 N97 O110 Pd24 -","- C1448 H1638 B96 Cl16 F384 N194 O220 Pd48 -","2","0.5","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","1.54178","CuKα","","0.2005","0.0905","","","0.2412","0.3146","","","","","","0.979","","","","has coordinates,has disorder","250083","2020-10-21","18:00:00",""
"4134393","10.02","0.002","11.554","0.002","16.035","0.003","74.125","0.003","84.067","0.003","85.833","0.003","1774.1","0.6","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O6 -","- C21 H18 O6 -","- C84 H72 O24 -","4","2","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","0.71073","MoKα","","0.1","0.0678","","","0.1853","0.2057","","","","","","1.053","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134394","40.908","0.011","40.908","0.011","28.479","0.008","90","","90","","90","","47659","2","90","2","90","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C713.58 H804.32 N114.89 O350.35 Pd24 -","- C713.576 H804.32 N114.888 O350.346 Pd23.992 -","- C1427.15 H1608.64 N229.776 O700.693 Pd47.984 -","2","0.125","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","0.71073","MoKα","","0.1422","0.0858","","","0.2218","0.2719","","","","","","1.013","","","","has coordinates,has disorder","250083","2020-10-21","18:00:00",""
"4134395","9.2394","0.0013","16.054","0.002","13.4313","0.0018","90","","104.686","0.009","90","","1927.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H36 B N O3 -","- C17 H36 B N O3 -","- C68 H144 B4 N4 O12 -","4","1","","Hari, Durga Prasad; Abell, Joseph C.; Fasano, Valerio; Aggarwal, Varinder K.","Ring-Expansion Induced 1,2-Metalate Rearrangements: Highly Diastereoselective Synthesis of Cyclobutyl Boronic Esters.","Journal of the American Chemical Society","2020","142","12","5515","5520","10.1021/jacs.0c00813","","","0.71073","MoKα","","0.1097","0.0548","","","0.1148","0.1371","","","","","","1.02","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134396","16.8872","0.0012","9.0985","0.0006","14.5635","0.001","90","","102.237","0.001","90","","2186.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 B Cl0.74 I0.26 N O2 -","- C20 H33 B Cl0.7435 I0.2565 N O2 -","- C80 H132 B4 Cl2.974 I1.026 N4 O8 -","4","1","","Hari, Durga Prasad; Abell, Joseph C.; Fasano, Valerio; Aggarwal, Varinder K.","Ring-Expansion Induced 1,2-Metalate Rearrangements: Highly Diastereoselective Synthesis of Cyclobutyl Boronic Esters.","Journal of the American Chemical Society","2020","142","12","5515","5520","10.1021/jacs.0c00813","","","0.71073","MoKα","","0.0556","0.0366","","","0.0828","0.0902","","","","","","1.028","","","","has coordinates,has disorder","250076","2020-10-21","18:00:00",""
"4134397","7.4511","0.001","12.8249","0.001","18.6937","0.001","90","","94.11","0.01","90","","1781.8","0.3","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Rh -","- C20 H26 Cl Rh -","- C80 H104 Cl4 Rh4 -","4","1","","Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B.","The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.","Journal of the American Chemical Society","2020","142","12","5842","5851","10.1021/jacs.0c01069","","x-ray","0.71073","MoKα","","0.0221","0.0201","","","0.0477","0.0482","","","","","","1.197","","","","has coordinates","250078","2020-10-21","18:00:00",""
"4134398","9.0845","0.00013","26.7256","0.0004","10.28003","0.00015","90","","94.911","0.0013","90","","2486.71","0.06","102","4","102","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 N O2 Rh S -","- C27 H34 N O2 Rh S -","- C108 H136 N4 O8 Rh4 S4 -","4","1","","Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B.","The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.","Journal of the American Chemical Society","2020","142","12","5842","5851","10.1021/jacs.0c01069","","x-ray","0.71073","MoKα","","0.0334","0.0269","","","0.0666","0.0689","","","","","","1.035","","","","has coordinates","250078","2020-10-21","18:00:00",""
"4134399","7.2611","0.0002","14.6975","0.0003","18.0948","0.0005","90","","95.564","0.002","90","","1921.98","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 O2 Rh -","- C22 H29 O2 Rh -","- C88 H116 O8 Rh4 -","4","1","","Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B.","The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.","Journal of the American Chemical Society","2020","142","12","5842","5851","10.1021/jacs.0c01069","","x-ray","0.71073","MoKα","","0.0371","0.028","","","0.0624","0.0649","","","","","","1.049","","","","has coordinates","250078","2020-10-21","18:00:00",""
"4134410","23.5179","0.0018","41.767","0.004","43.084","0.004","84.628","0.005","89.02","0.005","79.679","0.005","41453","6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C166 H164 N24 O24 Se8 -","- C166 H163.75 N24 O24 Se8 -","- C1328 H1310 N192 O192 Se64 -","8","4","","Rahman, Faiz-Ur; Tzeli, Demeter; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Ballester, Pablo; Rebek, Jr, Julius; Yu, Yang","Chalcogen Bonding and Hydrophobic Effects Force Molecules into Small Spaces.","Journal of the American Chemical Society","2020","142","12","5876","5883","10.1021/jacs.0c01290","","","1.34139","GaKα","","0.2449","0.1521","","","0.357","0.4054","","","","","","1.002","","","","has coordinates,has disorder","250086","2020-10-21","18:00:00",""
"4134411","10.5324","0.0003","10.3157","0.0003","18.7208","0.0005","90","","90","","90","","2034","0.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C96 H136 N8 O16 -","8","1","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.71073","MoKα","","0.0607","0.0538","","","0.1271","0.1321","","","","","","1.111","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134412","60.281","0.012","4.917","0.001","14.155","0.003","90","","93.84","0.03","90","","4186.1","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 F6 N O4 -","- C24 H15 F6 N O4 -","- C192 H120 F48 N8 O32 -","8","1","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.7","synchrotron","","0.0782","0.0688","","","0.2008","0.2105","","","","","","1.113","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134413","7.0148","0.0012","11.8848","0.0018","12.981","0.002","90","","90.395","0.005","90","","1082.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O2 -","- C11 H17 N O2 -","- C44 H68 N4 O8 -","4","2","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.71073","MoKα","","0.0722","0.052","","","0.1095","0.1182","","","","","","1.043","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134419","11.5551","0.0019","12.353","0.003","13.32","0.003","85.773","0.016","69.85","0.01","81.738","0.013","1765.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H50 B F6 N3 -","- C37 H50 B F6 N3 -","- C74 H100 B2 F12 N6 -","2","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0591","0.0393","","","0.0903","0.0983","","","","","","1.028","","","","has coordinates","250077","2020-10-21","18:00:00",""
"4134420","12.566","0.003","8.2909","0.0008","20.179","0.004","90","","104.595","0.016","90","","2034.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B Br2 F6 N2 -","- C17 H19 B Br2 F6 N2 -","- C68 H76 B4 Br8 F24 N8 -","4","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0206","0.0179","","","0.0436","0.0446","","","","","","1.025","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134421","24.208","0.009","16.72","0.008","20.187","0.007","90","","130.261","0.007","90","","6235","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 B F6 N O2 -","- C34 H38 B F6 N O2 -","- C272 H304 B8 F48 N8 O16 -","8","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.093","0.061","","","0.1459","0.1663","","","","","","1.027","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134422","8.849","0.003","10.927","0.004","10.94","0.004","114.541","0.018","102.1","0.03","97.48","0.03","912.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 B2 F12 N4 -","- C34 H38 B2 F12 N4 -","- C34 H38 B2 F12 N4 -","1","0.5","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.1323","0.0795","","","0.1767","0.2092","","","","","","1.034","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134423","10.477","0.007","11.414","0.008","21.469","0.018","75.85","0.015","85.729","0.008","72.776","0.019","2378","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 B2 Br2 F12 N4 -","- C46 H50 B2 Br2 F12 N4 -","- C92 H100 B4 Br4 F24 N8 -","2","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.1041","0.0518","","","0.096","0.1131","","","","","","1.014","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134424","8.465","0.0019","11.3157","0.0018","23.879","0.005","90","","90","","90","","2287.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 B F6 N2 O2 -","- C23 H23 B F6 N2 O2 -","- C92 H92 B4 F24 N8 O8 -","4","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0302","0.0257","","","0.0638","0.0651","","","","","","1.034","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134425","15.8864","0.0006","9.1579","0.0003","42.8822","0.0016","90","","99.783","0.001","90","","6148","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 B Cl2 F6 N -","- C31 H37 B Cl2 F6 N -","- C248 H296 B8 Cl16 F48 N8 -","8","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0671","0.035","","","0.0807","0.0878","","","","","","1.054","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134426","20.475","0.002","7.6092","0.0008","12.4167","0.0013","90","","124.988","0.002","90","","1584.9","0.3","130","","130","","","","","","","","Leonidas Dimitrios Syntrivanis","4","C 1 2 1","C 2y","5","","","","- C16 H25 N3 O -","- C16 H25 N3 O -","- C64 H100 N12 O4 -","4","1","","Syntrivanis, Leonidas-Dimitrios; Némethová, Ivana; Schmid, Dario; Levi, Shani; Prescimone, Alessandro; Bissegger, Fabian; Major, Dan T.; Tiefenbacher, Konrad","Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis.","Journal of the American Chemical Society","2020","142","12","5894","5900","10.1021/jacs.0c01464","","x-ray","1.54178","CuKα","","0.028","0.028","","","0.0739","0.074","","","","","","1.057","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134427","16.2888","0.0011","16.2888","0.0011","20.502","0.0015","90","","90","","90","","5439.7","0.7","130","","130","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C15 H26 O -","- C15 H26 O -","- C240 H416 O16 -","16","2","","Syntrivanis, Leonidas-Dimitrios; Némethová, Ivana; Schmid, Dario; Levi, Shani; Prescimone, Alessandro; Bissegger, Fabian; Major, Dan T.; Tiefenbacher, Konrad","Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis.","Journal of the American Chemical Society","2020","142","12","5894","5900","10.1021/jacs.0c01464","","x-ray","1.54178","CuKα","","0.0553","0.0538","","","0.1403","0.1419","","","","","","1.064","","","","has coordinates,has disorder","250082","2020-10-21","18:00:00",""
"4134428","13.065","0.0004","29.3865","0.0009","11.9523","0.0004","90","","90","","90","","4588.9","0.3","120","2","120","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C84 H80 F24 Fe2 N20 P4 -","- C84 H80 F24 Fe2 N20 P4 -","- C168 H160 F48 Fe4 N40 P8 -","2","0.5","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 × 2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.069","0.0652","","","0.1489","0.1511","","","","","","1.081","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134429","21.0032","0.0007","16.044","0.0005","21.1775","0.0007","90","","111.551","0.001","90","","6637.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 Cl8 Cu2 N8 O12 -","- C66 H54 Cl8 Cu2 N8 O12 -","- C264 H216 Cl32 Cu8 N32 O48 -","4","1","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 × 2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","0.71073","MoKα","","0.0801","0.0586","","","0.1474","0.1639","","","","","","1.059","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134430","24.5777","0.0008","25.8125","0.0008","35.2575","0.0011","90","","107.858","0.002","90","","21290.1","1.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C258 H226 B4 Cu4 N16 O8 -","- C258 H226 B4 Cu4 N16 O8 -","- C1032 H904 B16 Cu16 N64 O32 -","4","0.5","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.0973","0.081","","","0.21","0.2241","","","","","","1.027","","","","has coordinates,has disorder","250084","2020-10-21","18:00:00",""
"4134431","20.5323","0.0006","20.5323","0.0006","41.7019","0.0017","90","","90","","90","","17580.5","1","120","2","120","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C144 H108 B6 F24 N28 Zn4 -","- C144 H108 B6 F24 N28 Zn4 -","- C576 H432 B24 F96 N112 Zn16 -","4","0.25","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.0708","0.069","","","0.2097","0.2122","","","","","","1.054","","","","has coordinates","250084","2020-10-21","18:00:00",""
"4134432","9.5366","0.0007","5.7321","0.0004","14.9406","0.0013","90","","91.557","0.003","90","","816.42","0.11","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C34 H42 N2 O6 S2 -","2","1","","Uwamori, Masahiro; Osada, Ryunosuke; Sugiyama, Ryoji; Nagatani, Kotaro; Nakada, Masahisa","Enantioselective Total Synthesis of Cotylenin A.","Journal of the American Chemical Society","2020","142","12","5556","5561","10.1021/jacs.0c01774","","","0.71075","MoKα","","","0.038","","","","0.0949","","","","","","1.104","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134433","13.025","0.002","17.695","0.003","17.75","0.003","90","","99.93","0.003","90","","4029.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Au N3 O -","- C40 H56 Au N3 O -","- C160 H224 Au4 N12 O4 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0259","0.0189","","","0.0457","0.0478","","","","","","1.041","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134434","10.1743","0.0014","17.827","0.003","18.078","0.003","90","","90.286","0.002","90","","3278.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Au N2 O2 -","- C36 H45 Au N2 O2 -","- C144 H180 Au4 N8 O8 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0297","0.0275","","","0.0732","0.075","","","","","","1.037","","","","has coordinates,has disorder","250054","2020-10-21","18:00:00",""
"4134435","11.072","0.003","15.898","0.004","24.215","0.006","90.721","0.004","94.132","0.004","102.353","0.004","4151.2","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Au N3 O -","- C48 H54 Au N3 O -","- C192 H216 Au4 N12 O4 -","4","2","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0828","0.0687","","","0.188","0.1955","","","","","","1.035","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134436","16.597","0.003","14.75","0.002","18.101","0.003","90","","100.144","0.003","90","","4362","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 Au N3 O -","- C44 H60 Au N3 O -","- C176 H240 Au4 N12 O4 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0354","0.0229","","","0.0483","0.0511","","","","","","1.008","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134437","11.018","0.007","14.238","0.009","14.308","0.009","113.992","0.008","98.581","0.011","95.042","0.009","2000","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 Au N3 O2 -","- C48 H52 Au N3 O2 -","- C96 H104 Au2 N6 O4 -","2","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.1285","0.0967","","","0.2614","0.2894","","","","","","1.019","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134438","11.38","0.002","14.959","0.003","15.152","0.003","98.414","0.003","102.154","0.003","101.174","0.003","2426.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Au N3 O2 -","- C48 H54 Au N3 O2 -","- C96 H108 Au2 N6 O4 -","2","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0173","0.0162","","","0.0408","0.0412","","","","","","1.009","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134439","11.264","0.0016","23.609","0.003","13.2861","0.0019","90","","99.42","0.002","90","","3485.6","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 Au N3 O -","- C37 H52 Au N3 O -","- C148 H208 Au4 N12 O4 -","4","0.5","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0387","0.0322","","","0.0778","0.0811","","","","","","1.065","","","","has coordinates,has disorder","250054","2020-10-21","18:00:00",""
"4134440","10.233","0.003","17.846","0.004","17.766","0.004","90","","93.463","0.004","90","","3238.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 Au N2 O -","- C36 H47 Au N2 O -","- C144 H188 Au4 N8 O4 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.027","0.0256","","","0.0711","0.0719","","","","","","1.049","","","","has coordinates,has disorder","250054","2020-10-21","18:00:00",""
"4134441","7.78","0.0001","8.1061","0.0001","29.6389","0.0005","90","","90","","90","","1869.19","0.05","173","2","172.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N6 O10 -","- C14 H24 N6 O10 -","- C56 H96 N24 O40 -","4","1","","Wang, Fei; Zhang, Wen-He; Zhao, Juan; Kang, Wen-Jia; Wang, Shengyang; Yu, Biao; Pan, Hai-Xue; Tang, Gong-Li","Characterization of Miharamycin Biosynthesis Reveals a Hybrid NRPS-PKS to Synthesize High-Carbon Sugar from a Complex Nucleoside.","Journal of the American Chemical Society","2020","142","13","5996","6000","10.1021/jacs.0c01778","","","1.34139","GaKα","","0.0288","0.0283","","","0.0747","0.0752","","","","","","1.063","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134442","26.798","0.0009","12.5063","0.0004","25.5113","0.0009","90","","119.089","0.001","90","","7471.5","0.4","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H88 Cl N O12 -","- C71 H88 Cl N O12 -","- C284 H352 Cl4 N4 O48 -","4","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","1.34139","GaKα","","0.125","0.1166","","","0.2949","0.2995","","","","","","0.983","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134443","26.5236","0.0008","12.5602","0.0004","25.6641","0.0011","90","","119.075","0.001","90","","7472.4","0.5","173.01","","173.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H92 Cl2 N2 O12 -","- C76 H92 Cl2 N2 O12 -","- C304 H368 Cl8 N8 O48 -","4","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","1.54178","CuKα","","0.1035","0.0935","","","0.2842","0.2947","","","","","","1.064","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134444","13.847","0.001","23.25","0.002","25.631","0.002","80.16","0.003","90.001","0.001","90.001","0.001","8130.3","1.1","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C299 H316 Br48 Cl7 N7 O49 -","- C299 H316 Br48 Cl7 N7 O49 -","- C299 H316 Br48 Cl7 N7 O49 -","1","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","0.71073","MoKα","","0.1437","0.0974","","","0.2912","0.3231","","","","","","1.098","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134445","13.3514","0.0003","13.3868","0.0003","13.8133","0.0003","117.91","0.001","100.421","0.001","94.45","0.001","2108","0.08","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H76 Br12 Cl N O12 -","- C71 H76 Br12 Cl N O12 -","- C71 H76 Br12 Cl N O12 -","1","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","1.34139","GaKα","","0.1226","0.1186","","","0.302","0.3048","","","","","","1.072","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134447","12.3452","0.0004","12.739","0.0004","18.1766","0.0005","85.899","0.002","89.229","0.002","63.881","0.003","2559.55","0.15","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H60 Li O2 P3 Ru -","- C62 H60 Li O2 P3 Ru -","- C124 H120 Li2 O4 P6 Ru2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","1.54184","CuKα","","0.0483","0.04","","","0.096","0.1005","","","","","","1.015","","","","has coordinates","250052","2020-10-21","18:00:00",""
"4134448","14.8201","0.0003","16.2071","0.0004","17.1082","0.0003","94.116","0.002","93.148","0.002","112.751","0.002","3764.44","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H94 Li O8 P3 Ru -","- C88 H94 Li O8 P3 Ru -","- C176 H188 Li2 O16 P6 Ru2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","","0.71073","MoKα","","0.0644","0.0427","","","0.0886","0.0982","","","","","","1.024","","","","has coordinates","250052","2020-10-21","18:00:00",""
"4134449","41.0356","0.0005","13.7554","0.0002","19.4148","0.0002","90","","99.045","0.001","90","","10822.6","0.2","200","0.1","200","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H63 Mg O2 P3 Ru -","- C63 H63 Mg O2 P3 Ru -","- C504 H504 Mg8 O16 P24 Ru8 -","8","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","1.54184","CuKα","","0.0414","0.0316","","","0.0715","0.0756","","","","","","1.025","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134450","12.3478","0.0003","12.6936","0.0003","20.7422","0.0004","78.102","0.002","81.745","0.002","64.053","0.002","2855.31","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C67 H71 O3 P3 Ru Zn -","- C67 H71 O3 P3 Ru Zn -","- C134 H142 O6 P6 Ru2 Zn2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","1.54184","CuKα","","0.0305","0.0275","","","0.0682","0.0705","","","","","","1.036","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134451","12.3741","0.0004","12.7084","0.0004","20.744","0.0006","78.007","0.003","81.63","0.003","63.847","0.003","2858.8","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66.65 H69.95 Cl0.35 O3 P3 Ru Zn -","- C66.65 H69.95 Cl0.35 O3 P3 Ru Zn -","- C133.3 H139.9 Cl0.7 O6 P6 Ru2 Zn2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","0.71073","MoKα","","0.0525","0.0369","","","0.0734","0.0796","","","","","","1.041","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134452","11.2221","0.0003","13.0503","0.0004","16.6725","0.0005","85.312","0.003","73.891","0.003","72.861","0.003","2241.67","0.12","150","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C55 H47 P3 Ru Zn -","- C55 H47 P3 Ru Zn -","- C110 H94 P6 Ru2 Zn2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","0.71073","MoKα","","0.0456","0.033","","","0.0676","0.0727","","","","","","1.025","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134453","13.4442","0.0004","17.6572","0.0005","18.2564","0.0005","90.385","0.002","99.08","0.003","104.878","0.002","4131","0.2","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C88 H62 B F24 P3 Ru Zn2 -","- C88 H62 B F24 P3 Ru Zn2 -","- C176 H124 B2 F48 P6 Ru2 Zn4 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","0.71073","MoKα","","0.0627","0.0395","","","0.0837","0.0947","","","","","","1.025","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134454","8.612","0.003","14.566","0.006","15.189","0.005","90","","90","","90","","1905.3","1.2","103","2","103","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C18 H11 F10 N2 O0.5 Pd -","- C18 H11 F10 N2 O0.5 Pd -","- C72 H44 F40 N8 O2 Pd4 -","4","0.5","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.044","0.031","","","0.0734","0.0794","","","","","","1.074","","","","has coordinates,has disorder","250055","2020-10-21","18:00:00",""
"4134455","40.0791","0.0008","13.0995","0.0003","3.698","0.0001","90","","90","","90","","1941.51","0.08","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C12 H4 F6 -","- C12 H4 F6 -","- C96 H32 F48 -","8","0.5","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","x-ray","1.54184","CuKα","","0.0321","0.0317","","","0.0808","0.0813","","","","","","1.056","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134456","9.1923","0.0003","8.9775","0.0002","9.5988","0.0003","90","","90.225","0.003","90","","792.12","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 F4 N2 Pd -","- C16 H12 F4 N2 Pd -","- C32 H24 F8 N4 Pd2 -","2","1","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","x-ray","0.71073","MoKα","","0.0307","0.0266","","","0.0574","0.0588","","","","","","1.044","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134457","10.994","0.003","8.897","0.004","20.967","0.003","90","","90","","90","","2050.9","1.1","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H2 F8 -","- C12 H2 F8 -","- C96 H16 F64 -","8","1","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.037","0.0319","","","0.0861","0.09","","","","","","1.041","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134458","9.55","0.0015","17.778","0.005","19.108","0.003","90","","90.415","0.007","90","","3244.1","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 F6 N2 Pd -","- C16 H10 F6 N2 Pd -","- C128 H80 F48 N16 Pd8 -","8","2","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.0392","0.0294","","","0.0718","0.077","","","","","","1.063","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134460","7.2242","0.0003","8.8678","0.0004","15.7698","0.0007","90","","90","","90","","1010.26","0.08","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 F N Zn -","- C4 H11 Cl3 F N Zn -","- C16 H44 Cl12 F4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0421","0.0397","","","0.0999","0.1013","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134461","7.1947","0.0002","8.718","0.0002","15.6452","0.0005","90","","90","","90","","981.32","0.05","93","2","93","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 F N Zn -","- C4 H11 Cl3 F N Zn -","- C16 H44 Cl12 F4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0243","0.0241","","","0.0626","0.0627","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134462","7.1748","0.0004","9.1116","0.0005","17.2922","0.001","90","","90","","90","","1130.46","0.11","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Br Cl3 N Zn -","- C4 H11 Br Cl3 N Zn -","- C16 H44 Br4 Cl12 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0712","0.0611","","","0.1633","0.1693","","","","","","1.043","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134463","7.174","0.0003","9.1468","0.0004","17.7179","0.0006","90","","90","","90","","1162.63","0.08","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 I N Zn -","- C4 H11 Cl3 I N Zn -","- C16 H44 Cl12 I4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0548","0.0512","","","0.1217","0.1234","","","","","","1.174","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134464","28.8906","0.001","7.1178","0.0002","10.2641","0.0003","90","","90","","90","","2110.68","0.11","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H22 Cl8 N2 Zn2 -","- C8 H22 Cl8 N2 Zn2 -","- C32 H88 Cl32 N8 Zn8 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0207","0.0198","","","0.0522","0.0525","","","","","","1","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134465","7.1698","0.0003","14.6397","0.0005","10.3561","0.0004","90","","90","","90","","1087.01","0.07","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C4 H11 Cl4 N Zn -","- C4 H11 Cl4 N Zn -","- C16 H44 Cl16 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0498","0.0475","","","0.1322","0.1341","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134466","7.2453","0.0003","8.8632","0.0004","15.4226","0.0008","90","","90","","90","","990.39","0.08","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C4 H12 Cl3 N Zn -","- C4 H12 Cl3 N Zn -","- C16 H48 Cl12 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0338","0.0333","","","0.0839","0.0842","","","","","","1.058","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134467","6.2036","0.0009","8.1137","0.0011","15.041","0.003","90","","96.162","0.01","90","","752.7","0.2","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C38 H42 N2 O2 -","2","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0594","0.0415","","","0.0915","0.0978","","","","","","1.037","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134468","8.353","0.0004","5.8263","0.0002","10.678","0.0004","90","","109.178","0.005","90","","490.83","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Cl S -","- C11 H9 Cl S -","- C22 H18 Cl2 S2 -","2","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0489","0.0471","","","0.1216","0.1237","","","","","","1.082","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134469","23.636","0.005","7.7229","0.0016","6.3397","0.0011","90","","94.829","0.011","90","","1153.1","0.4","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H13 Cl -","- C15 H13 Cl -","- C60 H52 Cl4 -","4","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0564","0.0424","","","0.0864","0.0888","","","","","","1.01","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134470","7.9411","0.0003","11.3394","0.0005","6.033","0.0003","90","","90","","90","","543.26","0.04","307","2","307","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0507","0.0428","","","0.095","0.0999","","","","","","1.21","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134471","7.9344","0.0003","11.3381","0.0004","6.0281","0.0002","90","","90","","90","","542.29","0.03","280","2","280","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0525","0.0418","","","0.0896","0.095","","","","","","1.14","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134472","7.9296","0.0003","11.3383","0.0004","6.0243","0.0003","90","","90","","90","","541.63","0.04","260","2","260","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0459","0.0351","","","0.0839","0.0904","","","","","","1.002","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134473","7.9292","0.0002","11.3401","0.0004","6.0235","0.0002","90","","90","","90","","541.62","0.03","252","2","252","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0409","0.0321","","","0.0713","0.076","","","","","","1.089","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134474","6.0598","0.0004","7.8788","0.0005","11.2274","0.0007","90","","92.234","0.002","90","","535.63","0.06","238","2","238","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.1055","0.0947","","","0.2063","0.2118","","","","","","1.246","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134475","6.0581","0.0004","7.8735","0.0005","11.2215","0.0007","90","","92.254","0.003","90","","534.83","0.06","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.1006","0.0886","","","0.1993","0.205","","","","","","1.249","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134476","6.0577","0.0004","7.8714","0.0005","11.2223","0.0007","90","","92.255","0.002","90","","534.69","0.06","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.1077","0.097","","","0.207","0.212","","","","","","1.289","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134477","7.9345","0.0009","11.0298","0.0013","5.9653","0.0008","90","","90","","90","","522.06","0.11","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.45 K0.39 N1.61 O3 P -","- F H6.268 K0.433 N1.567 O3 P -","- F4 H25.072 K1.732 N6.268 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0518","0.0463","","","0.0979","0.1002","","","","","","1.139","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134478","7.9362","0.0009","11.2076","0.0011","6.0017","0.0007","90","","90","","90","","533.83","0.1","303","2","303","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F0.8 H6.4 K0.13 N1.47 O2.4 P0.8 -","- F0.8 H6.4 K0.128 N1.472 O2.4 P0.8 -","- F4 H32 K0.64 N7.36 O12 P4 -","5","1.25","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0425","0.0345","","","0.1044","0.1142","","","","","","0.903","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134479","7.9368","0.0004","11.2965","0.0006","6.0229","0.0003","90","","90","","90","","540","0.05","306","2","306","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.04 N1.96 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0442","0.0405","","","0.0941","0.0957","","","","","","1.157","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134480","7.9319","0.0003","11.295","0.0004","6.019","0.0002","90","","90","","90","","539.25","0.03","280","2","280","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.01 N2 O3 P -","- F H8 K0.032 N1.968 O3 P -","- F4 H32 K0.128 N7.872 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0445","0.0414","","","0.0925","0.0938","","","","","","1.162","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134481","7.9299","0.0003","11.2968","0.0004","6.0169","0.0002","90","","90","","90","","539.01","0.03","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F0.8 H6.4 K0.03 N1.57 O2.4 P0.8 -","- F0.8 H6.4 K0.0304 N1.5696 O2.4 P0.8 -","- F4 H32 K0.152 N7.848 O12 P4 -","5","1.25","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0462","0.0416","","","0.1119","0.1172","","","","","","0.975","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134482","7.9285","0.0003","11.3009","0.0004","6.0152","0.0002","90","","90","","90","","538.96","0.03","240","2","240","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.02 N1.98 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0443","0.0396","","","0.1074","0.1123","","","","","","0.938","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134483","6.041","0.0002","7.874","0.0003","11.1841","0.0004","90","","92.26","0.001","90","","531.58","0.03","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.04 N1.96 O3 P -","- F H8 K0.042 N1.958 O3 P -","- F4 H32 K0.168 N7.832 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0551","0.05","","","0.1422","0.1464","","","","","","1.216","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134484","6.0404","0.0002","7.8708","0.0002","11.1807","0.0003","90","","92.268","0.001","90","","531.15","0.03","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.06 N1.94 O3 P -","- F H8 K0.039 N1.961 O3 P -","- F4 H32 K0.156 N7.844 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0445","0.0396","","","0.0896","0.092","","","","","","1.164","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134485","6.0398","0.0002","7.8673","0.0003","11.1779","0.0004","90","","92.279","0.001","90","","530.72","0.03","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.05 N1.94 O3 P -","- F H8 K0.055 N1.945 O3 P -","- F4 H32 K0.22 N7.78 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0487","0.0426","","","0.1234","0.1292","","","","","","1.088","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134486","6.0398","0.0002","7.8659","0.0003","11.1767","0.0004","90","","92.289","0.001","90","","530.56","0.03","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.05 N1.95 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0516","0.048","","","0.1049","0.1063","","","","","","1.189","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134487","6.0395","0.0002","7.8631","0.0003","11.1748","0.0005","90","","92.309","0.001","90","","530.25","0.04","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.06 N1.94 O3 P -","- F H8 K0.039 N1.961 O3 P -","- F4 H32 K0.156 N7.844 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0493","0.0455","","","0.1008","0.1026","","","","","","1.187","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134488","7.9297","0.0011","11.1111","0.0019","5.982","0.001","90","","90","","90","","527.06","0.15","304","2","304","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.29 N1.71 O3 P -","- F H8 K0.284 N1.716 O3 P -","- F4 H32 K1.136 N6.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0707","0.0601","","","0.1225","0.1267","","","","","","1.155","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134489","7.9247","0.0003","11.1134","0.0004","5.9812","0.0003","90","","90","","90","","526.77","0.04","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.28 N1.72 O3 P -","- F H8 K0.263 N1.737 O3 P -","- F4 H32 K1.052 N6.948 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0661","0.0572","","","0.1063","0.1091","","","","","","1.115","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134490","7.9171","0.0003","11.109","0.0005","5.9766","0.0003","90","","90","","90","","525.65","0.04","220","2","220","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.3 N1.71 O3 P -","- F H8 K0.291 N1.709 O3 P -","- F4 H32 K1.164 N6.836 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0686","0.0551","","","0.1164","0.122","","","","","","1.113","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134491","7.9076","0.0003","11.0973","0.0005","5.9692","0.0003","90","","90","","90","","523.82","0.04","190","2","190","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.28 N1.72 O3 P -","- F H8 K0.28 N1.72 O3 P -","- F4 H32 K1.12 N6.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0725","0.0622","","","0.1256","0.1298","","","","","","1.146","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134492","7.9057","0.0003","11.0964","0.0004","5.9676","0.0002","90","","90","","90","","523.51","0.03","170","2","170","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.89 K0.28 N1.72 O3 P -","- F H6.892 K0.277 N1.723 O3 P -","- F4 H27.568 K1.108 N6.892 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0733","0.0612","","","0.1123","0.1166","","","","","","1.151","","","","has coordinates,has disorder","250063","2020-10-21","18:00:00",""
"4134493","7.9048","0.0003","11.0997","0.0005","5.9682","0.0002","90","","90","","90","","523.66","0.04","140","2","140","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.86 K0.28 N1.72 O3 P -","- F H6.864 K0.284 N1.716 O3 P -","- F4 H27.456 K1.136 N6.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0724","0.0604","","","0.1106","0.1148","","","","","","1.119","","","","has coordinates,has disorder","250063","2020-10-21","18:00:00",""
"4134494","5.9813","0.0002","7.8672","0.0002","10.9965","0.0004","90","","91.916","0.002","90","","517.16","0.03","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.27 N1.73 O3 P -","- F H8 K0.272 N1.728 O3 P -","- F4 H32 K1.088 N6.912 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0908","0.0755","","","0.1886","0.1959","","","","","","1.432","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134495","5.9756","0.0003","7.862","0.0003","10.9873","0.0005","90","","91.939","0.002","90","","515.89","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.27 N1.73 O3 P -","- F H8 K0.267 N1.733 O3 P -","- F4 H32 K1.068 N6.932 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0941","0.0801","","","0.1509","0.1564","","","","","","1.223","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134496","5.9761","0.0003","7.8611","0.0003","10.987","0.0005","90","","91.941","0.002","90","","515.86","0.04","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.27 N1.73 O3 P -","- F H8 K0.266 N1.734 O3 P -","- F4 H32 K1.064 N6.936 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0904","0.0779","","","0.1429","0.1472","","","","","","1.213","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134497","7.9303","0.0004","10.8767","0.0007","5.933","0.0003","90","","90","","90","","511.75","0.05","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H5.27 K0.68 N1.32 O3 P -","- F H5.272 K0.682 N1.318 O3 P -","- F4 H21.088 K2.728 N5.272 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0843","0.0768","","","0.1381","0.141","","","","","","1.26","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134498","7.9395","0.0013","11.3139","0.0019","6.0289","0.0009","90","","90","","90","","541.56","0.15","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.03 N1.97 O3 P -","- F4 H32 K0.12 N7.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0555","0.05","","","0.1312","0.1351","","","","","","0.99","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134499","7.9325","0.0002","11.313","0.0003","6.0242","0.0002","90","","90","","90","","540.61","0.03","280","2","280","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.01 N1.99 O3 P -","- F H8 K0.02 N1.98 O3 P -","- F4 H32 K0.08 N7.92 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0391","0.0349","","","0.0825","0.0843","","","","","","1.124","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134500","7.9299","0.0002","11.3151","0.0003","6.0217","0.0002","90","","90","","90","","540.31","0.03","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.026 N1.974 O3 P -","- F4 H32 K0.104 N7.896 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0453","0.0416","","","0.1049","0.1067","","","","","","1.149","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134501","6.0443","0.0002","7.8705","0.0003","11.1958","0.0005","90","","92.271","0.002","90","","532.18","0.04","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0 N2 O3 P -","- F H8 K0.028 N1.972 O3 P -","- F4 H32 K0.112 N7.888 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0852","0.0779","","","0.1936","0.198","","","","","","1.605","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134502","6.0447","0.0002","7.8661","0.0003","11.1926","0.0005","90","","92.297","0.002","90","","531.76","0.04","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.01 N1.99 O3 P -","- F H8 K0.012 N1.988 O3 P -","- F4 H32 K0.048 N7.952 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.077","0.0663","","","0.1378","0.1416","","","","","","1.252","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134503","6.0454","0.0002","7.8617","0.0003","11.189","0.0004","90","","92.319","0.001","90","","531.35","0.03","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.032 N1.968 O3 P -","- F4 H32 K0.128 N7.872 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0781","0.0731","","","0.188","0.1903","","","","","","1.57","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134504","6.0442","0.0002","7.8558","0.0003","11.1835","0.0004","90","","92.34","0.001","90","","530.57","0.03","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.03 N1.97 O3 P -","- F4 H32 K0.12 N7.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0751","0.0677","","","0.1748","0.1785","","","","","","1.466","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134505","6.043","0.0002","7.8506","0.0003","11.178","0.0004","90","","92.373","0.001","90","","529.84","0.03","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.04 N1.97 O3 P -","- F H8 K0.036 N1.964 O3 P -","- F4 H32 K0.144 N7.856 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0688","0.064","","","0.1686","0.1707","","","","","","1.424","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134506","10.8379","0.0013","15.0057","0.0014","7.9077","0.001","90","","107.595","0.013","90","","1225.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H11 I3 N2 Pb -","- C2 H11 I3 N2 Pb -","- C8 H44 I12 N8 Pb4 -","4","1","","Huang, Xiaofeng; Chen, Ruihao; Deng, Guocheng; Han, Faming; Ruan, Pengpeng; Cheng, Fangwen; Yin, Jun; Wu, Binghui; Zheng, Nanfeng","Methylamine-Dimer-Induced Phase Transition toward MAPbI<sub>3</sub> Films and High-Efficiency Perovskite Solar Modules.","Journal of the American Chemical Society","2020","142","13","6149","6157","10.1021/jacs.9b13443","","","0.71073","MoKα","","0.1398","0.0726","","","0.1375","0.1844","","","","","","1.003","","","","has coordinates","250065","2020-10-21","18:00:00",""
"4134507","13.7722","0.0004","14.9103","0.0004","19.1625","0.0008","90","","69.247","0.004","90","","3679.7","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H40 Cl0.23 I8.77 N7 Pb2 -","- C7 H40 Cl0.232 I8.768 N7 Pb2 -","- C28 H160 Cl0.928 I35.072 N28 Pb8 -","4","1","","Huang, Xiaofeng; Chen, Ruihao; Deng, Guocheng; Han, Faming; Ruan, Pengpeng; Cheng, Fangwen; Yin, Jun; Wu, Binghui; Zheng, Nanfeng","Methylamine-Dimer-Induced Phase Transition toward MAPbI<sub>3</sub> Films and High-Efficiency Perovskite Solar Modules.","Journal of the American Chemical Society","2020","142","13","6149","6157","10.1021/jacs.9b13443","","x-ray","0.71073","MoKα","","0.103","0.0621","","","0.1389","0.1633","","","","","","1.039","","","","has coordinates,has disorder","250065","2020-10-21","18:00:00",""
"4134508","11.3793","0.0001","11.8884","0.0002","12.7447","0.0002","90","","90","","90","","1724.12","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- F3 K Mo O2 -","- F3 K Mo O2 -","- F48 K16 Mo16 O32 -","16","4","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","x-ray","0.71073","MoKα","","0.0235","0.022","","","0.0457","0.0463","","","","","","1.045","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134509","11.3563","0.0005","11.8657","0.0005","12.7391","0.0006","90","","90","","90","","1716.6","0.13","100","","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- F3 K Mo O2 -","- F3 K Mo O2 -","- F48 K16 Mo16 O32 -","16","4","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.013","0.0129","","","0.0314","0.0314","","","","","","1.192","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134510","8.4691","0.0006","13.3818","0.0009","28.188","0.002","90","","95.692","0.004","90","","3178.8","0.4","100","","100.04","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F3 Mo O2 Rb -","- F3 Mo O2 Rb -","- F84 Mo28 O56 Rb28 -","28","3.5","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.0266","0.026","","","0.06","0.0603","","","","","","1.225","","","","has coordinates,has disorder","250056","2020-10-21","18:00:00",""
"4134511","8.3492","0.0003","13.4494","0.0005","28.2717","0.001","90","","95.004","0.002","90","","3162.6","0.2","100","2","99.96","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F3 Mo O2 Tl -","- F3 Mo O2 Tl -","- F84 Mo28 O56 Tl28 -","28","3.5","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.066","0.056","","","0.131","0.1369","","","","","","1.018","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134512","8.4774","0.0001","13.3966","0.0001","28.4385","0.0003","90","","95.073","0.001","90","","3217.06","0.06","200.01","0.1","200.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F3 Mo N O2 -","- F3 Mo N O2 -","- F84 Mo28 N28 O56 -","28","3.5","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","x-ray","0.71073","MoKα","","0.0227","0.0207","","","0.0502","0.051","","","","","","1.116","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134513","7.4499","0.0002","10.1587","0.0003","19.0266","0.0005","90","","90","","90","","1439.96","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CR-172","","","- C12 H20 N2 O2 S2 -","- C12 H20 N2 O2 S2 -","- C48 H80 N8 O8 S8 -","4","1","","Roos, Casey B.; Demaerel, Joachim; Graff, David E.; Knowles, Robert R.","Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2020","142","13","5974","5979","10.1021/jacs.0c01332","","","1.54178","CuKα","","0.0243","0.0231","","","0.0595","0.0601","","","","","","1.09","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134514","7.5385","0.0003","11.336","0.0004","17.2319","0.0006","90","","90","","90","","1472.58","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CR-173","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Roos, Casey B.; Demaerel, Joachim; Graff, David E.; Knowles, Robert R.","Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2020","142","13","5974","5979","10.1021/jacs.0c01332","","","1.54178","CuKα","","0.0227","0.0224","","","0.0582","0.0583","","","","","","1.096","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134515","26.4032","0.0009","17.2822","0.0009","15.4213","0.0006","90","","113.881","0.002","90","","6434.4","0.5","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H22 Au B Cl2 F4 N2 -","- C37 H22 Au B Cl2 F4 N2 -","- C296 H176 Au8 B8 Cl16 F32 N16 -","8","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","x-ray","0.71073","MoKα","","0.0461","0.0284","","","0.0644","0.0718","","","","","","1.034","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134516","32.117","0.015","12.282","0.006","8.293","0.004","90","","90","","90","","3271","3","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H20 Au2 Cl6 N2 O2 -","- C26 H20 Au2 Cl6 N2 O2 -","- C104 H80 Au8 Cl24 N8 O8 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","","0.71073","MoKα","","0.0947","0.0686","","","0.1449","0.1566","","","","","","1.03","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134517","26.339","0.003","15.8633","0.0015","20.316","0.002","90","","125.911","0.002","90","","6875.1","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C73 H42 Au4 Cl10 N4 -","- C73 H42 Au4 Cl10 N4 -","- C292 H168 Au16 Cl40 N16 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","","0.71073","MoKα","","0.0989","0.0648","","","0.1464","0.1656","","","","","","1.05","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134518","14.22334","0.00008","14.22334","0.00008","37.3147","0.0002","90","","90","","120","","6537.53","0.06","100.01","0.15","100.01","0.15","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C84 H12 Cu6 F42 O18 -","- C84 H12 Cu6 F42 O18 -","- C252 H36 Cu18 F126 O54 -","3","0.0833333","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.1183","0.1171","","","0.32","0.3211","","","","","","1.115","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134519","13.5207","0.0002","18.2853","0.0003","18.8367","0.0002","107.685","0.001","108.685","0.001","95.644","0.001","4103.1","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","7F-12","","","- C137 H32 Cl2 Cu13 F113 O42 -","- C137 H32 Cl2 Cu13 F113 O42 -","- C137 H32 Cl2 Cu13 F113 O42 -","1","0.5","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0958","0.0898","","","0.2559","0.2629","","","","","","1.046","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134520","17.717","0.0003","17.7627","0.0006","17.8073","0.0004","63.11","0.003","88.8395","0.0017","86.946","0.002","4990.9","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C148 H92 Cu24 F72 O78 -","- C148 H92 Cu24 F72 O78 -","- C148 H92 Cu24 F72 O78 -","1","0.5","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0623","0.0554","","","0.1647","0.17","","","","","","1.055","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134521","25.6664","0.0006","25.6664","0.0006","24.6267","0.0009","90","","90","","120","","14049.7","0.7","100","0.11","100","0.11","","","","","","","","5","R -3 :H","-R 3","148","","","","- C210 H162 Cl6 Cu24 O72 -","- C210 H162 Cl6 Cu24 O72 -","- C630 H486 Cl18 Cu72 O216 -","3","0.166667","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0598","0.0547","","","0.1495","0.1539","","","","","","1.07","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134525","42.4955","0.0011","42.4955","0.0011","42.4955","0.0011","90","","90","","90","","76741","3","150","2","150.01","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H114 N26 O22.33 P1.33 -","- C90 H114 N26 O22.3333 P1.33333 -","- C2160 H2735.99 N624 O536 P32 -","24","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1561","0.1173","","","0.3064","0.3463","","","","","","1.003","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134526","42.271","0.006","42.271","","42.271","","90","","90","","90","","75531","11","150","2","150.02","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H110 N26 O22.33 P1.33 -","- C90 H110 N26 O22.3333 P1.33333 -","- C2160 H2640 N624 O536 P32 -","24","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1427","0.108","","","0.2926","0.3237","","","","","","1.012","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134527","32.2178","0.0019","32.2178","0.0019","32.2178","0.0019","90","","90","","90","","33442","3","150","2","150.02","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C86 H108 N24 O22.33 P1.33 -","- C86 H87.9999 N24 O22.3333 P1.33333 -","- C1032 H1056 N288 O268 P16 -","12","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1445","0.1203","","","0.315","0.3444","","","","","","1.074","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134528","32.135","0.004","32.135","","32.135","","90","","90","","90","","33184","4","150","2","150.02","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C86 H89 N24 O22.33 P1.33 -","- C86 H88.9998 N24 O22.3333 P1.33333 -","- C1032 H1068 N288 O268 P16 -","12","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54184","CuKα","","0.0766","0.0725","","","0.2063","0.2144","","","","","","1.06","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134530","9.9447","0.0012","9.9447","0.0012","10.1091","0.0013","90","","90","","90","","999.8","0.2","299","2","299.45","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 Se -","- In8 Ir2 Se -","- In32 Ir8 Se4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","","0.71073","MoKα","","0.0286","0.0285","","","0.0639","0.0639","","","","","","1.187","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134531","10.005","0.004","10.007","0.004","10.196","0.004","90","","90","","89.991","0.008","1020.8","0.7","115","","115","","","","","","","","","3","P 1 1 m","P -2","6","","","","- In8 Ir2 Te -","- In8 Ir2 Te -","- In32 Ir8 Te4 -","4","2","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","x-ray","0.71073","MoKα","","0.1237","0.0747","","","0.1218","0.1314","","","","3.6","3.6","2.37","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134532","9.92","0.0006","9.9262","0.0006","10.1092","0.0006","90","","90","","89.9995","","995.43","0.1","120","","120","","","","","","","","","3","P 1 1 m","P -2","6","","","","- In8 Ir2 Se -","- In8 Ir2 Se -","- In32 Ir8 Se4 -","4","2","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","x-ray","0.71073","MoKα","","0.0749","0.0513","","","0.1085","0.1101","","","","3.32","3.32","2.45","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134533","9.92","0.0014","9.92","0.0014","10.14","0.002","90","","90","","90","","997.8","0.3","299","","299","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 S -","- In8 Ir2 S -","- In32 Ir8 S4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","","0.71073","MoKα","","0.0224","0.022","","","0.0463","0.0465","","","","","","1.162","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134534","10.124","0.008","10.124","0.008","10.291","0.009","90","","90","","90","","1054.8","1.5","299","","299","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 Te -","- In8 Ir2 Te -","- In32 Ir8 Te4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","","0.71073","MoKα","","0.0383","0.0254","","","0.0472","0.0511","","","","","","1.081","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134535","11.6067","0.0001","26.8486","0.0003","8.9726","0.0001","90","","90","","90","","2796.07","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C65.5 H61 Cl3 O2 -","- C65.5 H61 Cl3 O2 -","- C131 H122 Cl6 O4 -","2","0.5","","Miró, Javier; Gensch, Tobias; Ellwart, Mario; Han, Seo-Jung; Lin, Hsin-Hui; Sigman, Matthew S.; Toste, F. Dean","Enantioselective Allenoate-Claisen Rearrangement Using Chiral Phosphate Catalysts.","Journal of the American Chemical Society","2020","142","13","6390","6399","10.1021/jacs.0c01637","","","1.54184","CuKα","","0.0556","0.0537","","","0.1504","0.1522","","","","","","1.067","","","","has coordinates","250061","2020-10-21","18:00:00",""
"4134536","8.7338","0.0001","13.7551","0.0002","14.4231","0.0002","90","","90","","90","","1732.71","0.04","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B F4 N -","- C17 H24 B F4 N -","- C68 H96 B4 F16 N4 -","4","1","","Miró, Javier; Gensch, Tobias; Ellwart, Mario; Han, Seo-Jung; Lin, Hsin-Hui; Sigman, Matthew S.; Toste, F. Dean","Enantioselective Allenoate-Claisen Rearrangement Using Chiral Phosphate Catalysts.","Journal of the American Chemical Society","2020","142","13","6390","6399","10.1021/jacs.0c01637","","","1.54184","CuKα","","0.0419","0.0401","","","0.1056","0.1069","","","","","","1.042","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134537","8.8378","0.0002","12.492","0.0003","16.4162","0.0003","76.737","0.002","78.709","0.002","79.504","0.002","1711.92","0.07","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H58 Ni O P2 -","- C38 H58 Ni O P2 -","- C76 H116 Ni2 O2 P4 -","2","1","","Malapit, Christian A.; Borrell, Margarida; Milbauer, Michael W.; Brigham, Conor E.; Sanford, Melanie S.","Nickel-Catalyzed Decarbonylative Amination of Carboxylic Acid Esters.","Journal of the American Chemical Society","2020","142","13","5918","5923","10.1021/jacs.9b13531","","","1.54184","CuKα","","0.0411","0.0407","","","0.1111","0.1115","","","","","","1.062","","","","has coordinates","250064","2020-10-21","18:00:00",""
"4134538","13.1407","0.0002","18.4231","0.0004","16.9248","0.0003","90","","106.562","0.002","90","","3927.37","0.13","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H59 N Ni P2 -","- C40 H59 N Ni P2 -","- C160 H236 N4 Ni4 P8 -","4","1","","Malapit, Christian A.; Borrell, Margarida; Milbauer, Michael W.; Brigham, Conor E.; Sanford, Melanie S.","Nickel-Catalyzed Decarbonylative Amination of Carboxylic Acid Esters.","Journal of the American Chemical Society","2020","142","13","5918","5923","10.1021/jacs.9b13531","","","1.54184","CuKα","","0.0915","0.0808","","","0.2179","0.2327","","","","","","1.05","","","","has coordinates","250064","2020-10-21","18:00:00",""
"4134600","17.8071","0.0013","20.7861","0.0017","11.1015","0.0008","90","","90","","90","","4109.1","0.5","123","2","123","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C42.5 H32 Cl5 F3 N2 O Pd -","- C42.5 H32 Cl5 F3 N2 O Pd -","- C170 H128 Cl20 F12 N8 O4 Pd4 -","4","1","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","0.71073","MoKα","","0.0326","0.0287","","","0.0642","0.0663","","","","","","1.022","","","","has coordinates","251468","2020-10-21","18:00:00",""
"4134601","11.4494","0.0005","18.261","0.0009","19.2278","0.0009","91.268","0.002","95.438","0.002","95.772","0.002","3979.7","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H27 Cl4 F3 N2 O Pd -","- C44 H27 Cl4 F3 N2 O Pd -","- C176 H108 Cl16 F12 N8 O4 Pd4 -","4","2","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","1.54178","CuKα","","0.0317","0.0295","","","0.0787","0.0805","","","","","","1.025","","","","has coordinates","251468","2020-10-21","18:00:00",""
"4134602","11.3097","0.001","16.5092","0.0015","21.156","0.002","90","","91.13","0.001","90","","3949.4","0.6","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H26 Cl4 F6 N2 Ni O -","- C45 H26 Cl4 F6 N2 Ni O -","- C180 H104 Cl16 F24 N8 Ni4 O4 -","4","1","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","0.71073","MoKα","","0.0378","0.0309","","","0.0753","0.0787","","","","","","1.045","","","","has coordinates,has disorder","251468","2020-10-21","18:00:00",""
"4134607","40.116","0.003","20.2528","0.0012","23.0493","0.0015","90","","100.858","0.006","90","","18391","2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C198 H208 N8 O16 -","- C198 H208 N8 O16 -","- C792 H832 N32 O64 -","4","1","","Schuster, Nathaniel J.; Joyce, Leo A.; Paley, Daniel W.; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","The Structural Origins of Intense Circular Dichroism in a Waggling Helicene Nanoribbon.","Journal of the American Chemical Society","2020","142","15","7066","7074","10.1021/jacs.0c00646","","x-ray","1.54184","CuKα","","0.3035","0.1806","","","0.4585","0.5347","","","","","","1.327","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134612","21.493","0.006","29.212","0.008","36.334","0.011","90","","90","","90","","22812","11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C178 H179 F72 N24 O0.5 S6 Se6 -","- C178 H179 F72 N24 O0.5 S6 Se6 -","- C712 H716 F288 N96 O2 S24 Se24 -","4","1","","Lin, Yingfu; Hirschi, William J.; Kunadia, Anuj; Paul, Anirudra; Ghiviriga, Ion; Abboud, Khalil A.; Karugu, Rachael W.; Vetticatt, Mathew J.; Hirschi, Jennifer S.; Seidel, Daniel","A Selenourea-Thiourea Brønsted Acid Catalyst Facilitates Asymmetric Conjugate Additions of Amines to α,β-Unsaturated Esters.","Journal of the American Chemical Society","2020","142","12","5627","5635","10.1021/jacs.9b12457","","","0.71073","MoKα","","0.1539","0.0719","","","0.1654","0.1846","","","","","","1.003","","","","has coordinates,has disorder","250027","2020-10-21","18:00:00",""
"4134623","8.058","0.0004","8.2082","0.0004","19.263","0.001","81.733","0.0011","89.6948","0.001","80.2803","0.001","1242.51","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TJS-A-01","","","- C28 H28 N2 O5 S -","- C28 H28 N2 O5 S -","- C56 H56 N4 O10 S2 -","2","1","","Steiman, Talia J.; Liu, Junyi; Mengiste, Amanuella; Doyle, Abigail G.","Synthesis of β-Phenethylamines via Ni/Photoredox Cross-Electrophile Coupling of Aliphatic Aziridines and Aryl Iodides.","Journal of the American Chemical Society","2020","142","16","7598","7605","10.1021/jacs.0c01724","","","0.71073","MoKα","","0.0561","0.0448","","","0.1176","0.1246","","","","","","1.06","","","","has coordinates,has disorder","251460","2020-10-21","18:00:00",""
"4134635","13.3029","0.0003","14.1443","0.0003","15.9246","0.0004","112.076","0.002","111.146","0.002","92.244","0.002","2536.25","0.12","140","0.1","140","0.1","","","","","","","","6","P 1","P 1","1","","","","- C115 H97 Fe3 N17 Na6 O6 -","- C115 H97 Fe3 N17 Na6 O6 -","- C115 H97 Fe3 N17 Na6 O6 -","1","1","","Toniolo, Davide; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Assembly of High-Spin [Fe<sub>3</sub>] Clusters by Ligand-Based Multielectron Reduction.","Journal of the American Chemical Society","2020","142","16","7301","7305","10.1021/jacs.0c01664","","x-ray","0.71073","MoKα","","0.0894","0.0589","","","0.1098","0.1257","","","","","","1.028","","","","has coordinates,has disorder","251454","2020-10-21","18:00:00",""
"4134636","13.4845","0.0003","33.0195","0.0012","22.9829","0.0007","90","","105.404","0.003","90","","9865.6","0.5","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C176 H196 Fe6 N12 Na12 O26 -","- C176 H196 Fe6 N12 Na12 O26 -","- C352 H392 Fe12 N24 Na24 O52 -","2","0.5","","Toniolo, Davide; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Assembly of High-Spin [Fe<sub>3</sub>] Clusters by Ligand-Based Multielectron Reduction.","Journal of the American Chemical Society","2020","142","16","7301","7305","10.1021/jacs.0c01664","","x-ray","1.54184","CuKα","","0.1049","0.0958","","","0.257","0.264","","","","","","1.073","","","","has coordinates,has disorder","251454","2020-10-21","18:00:00",""
"4134637","38.585","0.01","38.585","0.01","38.585","0.01","90","","90","","90","","57445","3","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224","Hf-TBB","","- C72.29 H39.16 Hf6.02 N6.02 O32.13 -","- C72 H45 Hf6 N6 O32 -","- C576 H360 Hf48 N48 O256 -","8","0.0833333","","Luo, Taokun; Ni, Kaiyuan; Culbert, August; Lan, Guangxu; Li, Zhe; Jiang, Xiaomin; Kaufmann, Michael; Lin, Wenbin","Nanoscale Metal-Organic Frameworks Stabilize Bacteriochlorins for Type I and Type II Photodynamic Therapy.","Journal of the American Chemical Society","2020","142","16","7334","7339","10.1021/jacs.0c02129","","x-ray","0.41328","synchrotron","","0.1085","0.1041","","","0.2388","0.2417","","","","","","1.003","","","","has coordinates","251463","2020-10-21","18:00:00",""
"4134665","9.1462","0.0002","7.02845","0.00014","16.4441","0.0004","90","","90.62","0.002","90","","1057.02","0.04","174.99","0.1","174.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","C30H12F4N2","","- C30 H12 F4 N2 -","- C30 H12 F4 N2 -","- C60 H24 F8 N4 -","2","1","","Sun, Yanqiu; Lei, Yilong; Hu, Wenping; Wong, Wai-Yeung","Epitaxial Growth of Nanorod Meshes from Luminescent Organic Cocrystals via Crystal Transformation.","Journal of the American Chemical Society","2020","142","16","7265","7269","10.1021/jacs.0c00135","","x-ray","1.54184","CuKα","","0.0346","0.0323","","","0.1002","0.1021","","","","","","1.1","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134666","7.023","0.0014","33.943","0.007","17.584","0.004","90","","90.07","0.03","90","","4191.7","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F4 N2 -","- C30 H12 F4 N2 -","- C240 H96 F32 N16 -","8","2","","Sun, Yanqiu; Lei, Yilong; Hu, Wenping; Wong, Wai-Yeung","Epitaxial Growth of Nanorod Meshes from Luminescent Organic Cocrystals via Crystal Transformation.","Journal of the American Chemical Society","2020","142","16","7265","7269","10.1021/jacs.0c00135","","","0.71073","MoKα","","0.0731","0.0601","","","0.1644","0.2065","","","","","","1.051","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134667","23.2214","0.0003","20.51134","0.00017","17.808","0.0002","90","","109.079","0.0014","90","","8016.05","0.17","225","2","225","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 Cu2 F6 N4 O6 S2 -","- C32 H52 Cu2 F6 N4 O6 S2 -","- C256 H416 Cu16 F48 N32 O48 S16 -","8","1","","Sharninghausen, Liam S.; Brooks, Allen F.; Winton, Wade P.; Makaravage, Katarina J.; Scott, Peter J. H.; Sanford, Melanie S.","NHC-Copper Mediated Ligand-Directed Radiofluorination of Aryl Halides.","Journal of the American Chemical Society","2020","142","16","7362","7367","10.1021/jacs.0c02637","","","1.54184","CuKα","","0.0415","0.0407","","","0.107","0.1078","","","","","","1.056","","","","has coordinates,has disorder","251449","2020-10-21","18:00:00",""
"4134668","8.4835","0.0006","11.9653","0.0008","12.0408","0.0007","87.075","0.005","80.401","0.005","71.73","0.006","1144.37","0.14","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 Cl2 Cu F N2 -","- C24 H34 Cl2 Cu F N2 -","- C48 H68 Cl4 Cu2 F2 N4 -","2","1","","Sharninghausen, Liam S.; Brooks, Allen F.; Winton, Wade P.; Makaravage, Katarina J.; Scott, Peter J. H.; Sanford, Melanie S.","NHC-Copper Mediated Ligand-Directed Radiofluorination of Aryl Halides.","Journal of the American Chemical Society","2020","142","16","7362","7367","10.1021/jacs.0c02637","","x-ray","1.54184","CuKα","","0.0421","0.0396","","","0.1011","0.1057","","","","","","1.054","","","","has coordinates","251449","2020-10-21","18:00:00",""
"4134669","8.9286","0.0002","16.9996","0.0004","22.4884","0.0005","90","","90","","90","","3413.35","0.13","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Br Fe N5 O -","- C36 H46 Br Fe N5 O -","- C144 H184 Br4 Fe4 N20 O4 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0241","0.0218","","","0.0488","0.0498","","","","","","1.072","","","","has coordinates","251450","2020-10-21","18:00:00",""
"4134670","8.77732","0.00019","17.1427","0.0003","22.6633","0.0005","90","","90","","90","","3410.08","0.12","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Cl Fe N5 O -","- C36 H46 Cl Fe N5 O -","- C144 H184 Cl4 Fe4 N20 O4 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0257","0.0238","","","0.0541","0.055","","","","","","1.055","","","","has coordinates","251450","2020-10-21","18:00:00",""
"4134671","12.6479","0.0004","13.0462","0.0004","21.3658","0.0007","90","","101.978","0.003","90","","3448.75","0.19","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46.99 Br1.01 Fe N5 O1.99 -","- C36 H46.9886 Br1.0114 Fe N5 O1.9886 -","- C144 H187.954 Br4.0456 Fe4 N20 O7.9544 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0566","0.0388","","","0.0816","0.0889","","","","","","1.033","","","","has coordinates,has disorder","251450","2020-10-21","18:00:00",""
"4134672","32.8869","0.0009","11.113","0.0003","23.5812","0.0005","90","","90.019","0.002","90","","8618.3","0.4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Cl2 Fe N5 O3 -","- C44 H62 Cl2 Fe N5 O3 -","- C352 H496 Cl16 Fe8 N40 O24 -","8","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0371","0.0322","","","0.0764","0.079","","","","","","1.045","","","","has coordinates,has disorder","251450","2020-10-21","18:00:00",""
"4134673","12.6925","0.0003","13.0034","0.0003","21.3161","0.0005","90","","102.247","0.002","90","","3438.06","0.14","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 Cl1.06 Fe N5 O1.94 -","- C36 H47 Cl1.058 Fe N5 O1.942 -","- C144 H188 Cl4.232 Fe4 N20 O7.768 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0527","0.0422","","","0.1036","0.1101","","","","","","1.051","","","","has coordinates,has disorder","251450","2020-10-21","18:00:00",""
"4134674","14.4887","0.0002","22.9828","0.0002","21.1268","0.0002","90","","103.175","0.001","90","","6849.86","0.13","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C103 H207 Mo10 N4 Nb2 O42 P -","- C103 H207 Mo10 N4 Nb2 O42 P -","- C206 H414 Mo20 N8 Nb4 O84 P2 -","2","1","","Zhang, Guanyun; Gadot, Eyal; Gan-Or, Gal; Baranov, Mark; Tubul, Tal; Neyman, Alevtina; Li, Mu; Clotet, Anna; Poblet, Josep M.; Yin, Panchao; Weinstock, Ira A.","Self-Assembly and Ionic-Lattice-like Secondary Structure of a Flexible Linear Polymer of Highly Charged Inorganic Building Blocks.","Journal of the American Chemical Society","2020","142","16","7295","7300","10.1021/jacs.0c01486","","","0.71073","MoKα","","0.0666","0.0621","","","0.1503","0.1541","","","","","","1.02","","","","has coordinates,has disorder","251451","2020-10-21","18:00:00",""
"4134675","18.6068","0.0014","7.2917","0.0006","20.2774","0.0015","90","","110.916","0.002","90","","2569.9","0.3","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28 H26 I2 N O2 P -","- C28 H26 I2 N O2 P -","- C112 H104 I8 N4 O8 P4 -","4","1","","Yan, Shengyi; Xia, Wang; Li, Shaoyu; Song, Qiuling; Xiang, Shao-Hua; Tan, Bin","Michael Reaction Inspired Atroposelective Construction of Axially Chiral Biaryls.","Journal of the American Chemical Society","2020","142","16","7322","7327","10.1021/jacs.0c01963","","x-ray","0.71073","MoKα","","0.0557","0.0501","","","0.1168","0.1197","","","","","","1.025","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134676","20.539","0.0019","14.8908","0.0014","15.0531","0.0015","90","","90","","90","","4603.9","0.8","100","2","99.93","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 N4 O2.5 Zr -","- C20 H18 Cu F6 N4 O2.5 Zr -","- C160 H144 Cu8 F48 N32 O20 Zr8 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0341","0.0317","","","0.0785","0.08","","","","","","1.044","","","","has coordinates,has disorder","251456","2020-10-21","18:00:00",""
"4134677","20.555","0.0007","14.8898","0.0005","15.0487","0.0005","90","","90","","90","","4605.8","0.3","100","2","100.04","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 Hf N4 O2.5 -","- C20 H18 Cu F6 Hf N4 O2.5 -","- C160 H144 Cu8 F48 Hf8 N32 O20 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0304","0.0248","","","0.0503","0.052","","","","","","1.042","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134678","7.1475","0.0003","9.9867","0.0004","10.8497","0.0004","91.854","0.002","106.408","0.002","104.499","0.002","714.81","0.05","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Cu2 F12 N4 O4 Zr2 -","- C20 H24 Cu2 F12 N4 O4 Zr2 -","- C20 H24 Cu2 F12 N4 O4 Zr2 -","1","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0259","0.0217","","","0.0514","0.0531","","","","","","1.041","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134679","6.259","0.0003","9.2167","0.0005","12.2518","0.0007","90","","90.846","0.002","90","","706.7","0.07","100","","100.11","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C10 H12 Cu F6 Hf N2 O2 -","- C10 H12 Cu F6 Hf N2 O2 -","- C20 H24 Cu2 F12 Hf2 N4 O4 -","2","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0166","0.0162","","","0.0425","0.0428","","","","","","1.12","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134680","20.3754","0.0006","14.6737","0.0005","14.8668","0.0005","90","","90","","90","","4444.9","0.2","100","","100.07","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 N4 O2.5 Ti -","- C20 H18 Cu F6 N4 O2.5 Ti -","- C160 H144 Cu8 F48 N32 O20 Ti8 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0688","0.0424","","","0.0902","0.1021","","","","","","1.028","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134681","7.727","0.0001","14.3219","0.0003","12.3521","0.0003","90","","90","","90","","1366.95","0.05","100","2","99.97","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F6 N2 O2 Ti -","- C10 H12 Cu F6 N2 O2 Ti -","- C40 H48 Cu4 F24 N8 O8 Ti4 -","4","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0254","0.0225","","","0.0607","0.0622","","","","","","1.052","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134682","9.718","0.0019","10.43","0.002","10.479","0.002","109.11","0.03","102.3","0.03","96.78","0.03","960.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 F4 O -","- C25 H18 F4 O -","- C50 H36 F8 O2 -","2","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.7","synchrotron","","0.0716","0.0568","","","0.1666","0.178","","","","","","1.109","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134683","9.609","0.004","15.344","0.006","21.494","0.009","90","","90","","90","","3169","2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 F4 O5 -","- C36 H38 F4 O5 -","- C144 H152 F16 O20 -","4","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.71073","MoKα","","0.1517","0.1053","","","0.1829","0.2036","","","","","","1.192","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134684","11.057","0.002","15.078","0.003","22.516","0.005","90","","92.95","0.03","90","","3748.8","1.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 F4 O -","- C23 H20 F4 O -","- C184 H160 F32 O8 -","8","2","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.75","synchrotron","","0.2105","0.1425","","","0.326","0.3523","","","","","","1.714","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134685","13.666","0.003","8.146","0.0016","16.531","0.003","90","","98.73","0.03","90","","1819","0.6","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F4 O -","- C23 H18 F4 O -","- C92 H72 F16 O4 -","4","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.73","synchrotron","","0.0989","0.0521","","","0.1656","0.1883","","","","","","1","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134686","34.417","0.003","34.417","0.003","26.544","0.002","90","","90","","120","","27230","4","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C300 H420 Mg24 O138 -","- C300 H330 Mg24 O138 -","- C900 H990 Mg72 O414 -","3","0.166667","","Shao, Li; Hua, Bin; Hu, Xiangquan; Stalla, David; Kelley, Steven P.; Atwood, Jerry L.","Construction of Polymeric Metal-Organic Nanocapsule Networks via Supramolecular Coordination-Driven Self-Assembly.","Journal of the American Chemical Society","2020","142","16","7270","7275","10.1021/jacs.0c00640","","","0.71073","MoKα","","0.1325","0.081","","","0.2118","0.2488","","","","","","1.023","","","","has coordinates,has disorder","251458","2020-10-21","18:00:00",""
"4134687","37.025","0.005","36.916","0.005","26.53","0.004","90","","94.801","0.004","90","","36134","9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C265 H296 Mg24 N2 O129 -","- C265 H261 Mg24 N2 O129 -","- C1060 H1044 Mg96 N8 O516 -","4","1","","Shao, Li; Hua, Bin; Hu, Xiangquan; Stalla, David; Kelley, Steven P.; Atwood, Jerry L.","Construction of Polymeric Metal-Organic Nanocapsule Networks via Supramolecular Coordination-Driven Self-Assembly.","Journal of the American Chemical Society","2020","142","16","7270","7275","10.1021/jacs.0c00640","","","0.71073","MoKα","","0.1382","0.089","","","0.2539","0.2987","","","","","","1.027","","","","has coordinates","251458","2020-10-21","18:00:00",""
"4134688","9.4673","0.0008","11.3216","0.0009","32.085","0.003","90","","97.472","0.003","90","","3409.8","0.5","100.04","","100.04","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 Ni O -","- C24 H16 N2 Ni O -","- C192 H128 N16 Ni8 O8 -","8","2","","Wong, Yip-Sang; Tang, Man-Chung; Ng, Maggie; Yam, Vivian Wing-Wah","Toward the Design of Phosphorescent Emitters of Cyclometalated Earth-Abundant Nickel(II) and Their Supramolecular Study.","Journal of the American Chemical Society","2020","142","16","7638","7646","10.1021/jacs.0c02172","","x-ray","0.71073","MoKα","","0.057","0.0481","","","0.1165","0.1204","","","","","","1.167","","","","has coordinates","251459","2020-10-21","18:00:00",""
"4134689","9.772","0.003","14.573","0.004","9.077","0.004","90","","95.29","0.03","90","","1287.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 Cl N2 Ni -","- C16 H11 Cl N2 Ni -","- C64 H44 Cl4 N8 Ni4 -","4","0.5","","Wong, Yip-Sang; Tang, Man-Chung; Ng, Maggie; Yam, Vivian Wing-Wah","Toward the Design of Phosphorescent Emitters of Cyclometalated Earth-Abundant Nickel(II) and Their Supramolecular Study.","Journal of the American Chemical Society","2020","142","16","7638","7646","10.1021/jacs.0c02172","","","0.65295","Synchrotron","","0.0474","0.044","","","0.1184","0.122","","","","","","1.066","","","","has coordinates","251459","2020-10-21","18:00:00",""
"4134690","7.66791","0.00014","35.5294","0.0006","18.9331","0.0003","90","","90.5243","0.0017","90","","5157.85","0.15","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H108 Mn4 N20 O22 -","- C82 H108 Mn4 N20 O22 -","- C164 H216 Mn8 N40 O44 -","2","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","1.54184","CuKα","","0.0573","0.0525","","","0.1446","0.1488","","","","","","1.048","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134691","14.5195","0.0007","47.357","0.002","14.8983","0.0007","90","","101.308","0.001","90","","10045.2","0.8","120","2","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C166 H174 Mn4 N38 O16 -","- C166 H174 Mn4 N38 O16 -","- C332 H348 Mn8 N76 O32 -","2","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.1036","0.0793","","","0.2406","0.2541","","","","","","1.065","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134692","47.019","0.002","8.0598","0.0003","41.8518","0.0019","90","","123.828","0.004","90","","13175.4","1.1","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H84 Cl6 Co4 N24 O38 -","- C90 H92 Cl6 Co4 N24 O38 -","- C360 H368 Cl24 Co16 N96 O152 -","4","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","1.54178","CuKα","","0.174","0.1293","","","0.3523","0.3894","","","","","","1.228","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134693","14.8683","0.0017","35.964","0.004","15.7673","0.0018","90","","115.88","0.003","90","","7585.6","1.5","120","2","119.99","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C37 H34 F3 N10 O10 S Zn2 -","- C37 H34 F3 N10 O10 S Zn2 -","- C148 H136 F12 N40 O40 S4 Zn8 -","4","1","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.2173","0.1471","","","0.423","0.4519","","","","","","1.329","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134694","10.8346","0.0004","16.7939","0.0006","19.7458","0.0007","107.577","0.002","92.476","0.002","97.574","0.002","3382.1","0.2","120","2","120.02","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H94 Mn4 N32 O18 -","- C136 H94 Mn4 N32 O18 -","- C136 H94 Mn4 N32 O18 -","1","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.126","0.0817","","","0.2608","0.2928","","","","","","1.094","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134695","20.6977","0.0009","20.6977","0.0009","14.1093","0.0007","90","","90","","120","","5234.6","0.4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C60 H120 N16 P4 U -","- C60 H120 N16 P4 U -","- C180 H360 N48 P12 U3 -","3","0.333333","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0579","0.057","","","0.1453","0.1469","","","","","","1.059","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134696","20.77","0.003","20.77","0.003","13.975","0.002","90","","90","","120","","5221","1.3","103.58","","103.58","","","","","","","","","6","R 3 :H","R 3","146","","","","- C60 H120 N16 O P4 U -","- C60 H120 N16 O P4 U -","- C180 H360 N48 O3 P12 U3 -","3","0.333333","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0651","0.0605","","","0.1498","0.1561","","","","","","1.101","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134697","14.9753","0.0017","22.266","0.003","47.714","0.006","90","","97.018","0.005","90","","15791","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H131 N17 P4 U -","- C69 H131 N17 P4 U -","- C552 H1048 N136 P32 U8 -","8","2","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0693","0.0534","","","0.122","0.1312","","","","","","1.035","","","","has coordinates,has disorder","251462","2020-10-21","18:00:00",""
"4134698","6.43","0.0001","12.1818","0.0001","25.8958","0.0002","90","","96.497","0.001","90","","2015.36","0.04","200","0.1","200","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","Lu, Zhiwu; Hu, Xu-Dong; Zhang, Hui; Zhang, Xiao-Wen; Cai, Jinhui; Usman, Muhammad; Cong, Hengjiang; Liu, Wen-Bo","Enantioselective Assembly of Cycloenones with a Nitrile-Containing All-Carbon Quaternary Center from Malononitriles Enabled by Ni Catalysis.","Journal of the American Chemical Society","2020","142","16","7328","7333","10.1021/jacs.0c02075","","x-ray","1.54184","CuKα","","0.0409","0.0394","","","0.1009","0.102","","","","","","1.026","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134699","23.866","0.002","6.6629","0.0006","13.5743","0.0011","90","","94.136","0.003","90","","2152.9","0.3","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H20 Br N O -","- C26 H20 Br N O -","- C104 H80 Br4 N4 O4 -","4","1","","Lu, Zhiwu; Hu, Xu-Dong; Zhang, Hui; Zhang, Xiao-Wen; Cai, Jinhui; Usman, Muhammad; Cong, Hengjiang; Liu, Wen-Bo","Enantioselective Assembly of Cycloenones with a Nitrile-Containing All-Carbon Quaternary Center from Malononitriles Enabled by Ni Catalysis.","Journal of the American Chemical Society","2020","142","16","7328","7333","10.1021/jacs.0c02075","","","1.54178","CuKα","","0.0331","0.0324","","","0.0863","0.0874","","","","","","1.045","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134700","12.657","0.004","12.75","0.004","13.869","0.005","108.039","0.001","115.597","0.008","93.053","0.003","1873","1.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H31 B Cl2 N8 O -","- C45 H31 B Cl2 N8 O -","- C90 H62 B2 Cl4 N16 O2 -","2","1","","Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States.","Journal of the American Chemical Society","2020","142","17","7920","7929","10.1021/jacs.0c01646","","","1.54187","CuKα","","0.0909","0.0597","","","0.1714","0.1878","","","","","","1.064","","","","has coordinates,has disorder","251437","2020-10-21","18:00:00",""
"4134701","11.0129","0.0014","13.4588","0.0016","15.067","0.002","108.158","0.006","90.077","0.007","94.144","0.006","2115.8","0.5","270","2","270","2","","","","","","","","5","P -1","-P 1","2","SubPTCBDaniline_axial_E2","","","- C49.5 H32 B Cl N8 -","- C49.5 H32 B Cl N8 -","- C99 H64 B2 Cl2 N16 -","2","1","","Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States.","Journal of the American Chemical Society","2020","142","17","7920","7929","10.1021/jacs.0c01646","","","0.71073","MoKα","","0.2096","0.0977","","","0.2772","0.3459","","","","","","1.024","","","","has coordinates","251437","2020-10-21","18:00:00",""
"4134702","10.6906","0.0002","12.2749","0.0002","28.911","0.0006","90","","92.992","0.002","90","","3788.7","0.12","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H31 B N8 -","- C49 H31 B N8 -","- C196 H124 B4 N32 -","4","1","","Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States.","Journal of the American Chemical Society","2020","142","17","7920","7929","10.1021/jacs.0c01646","","","1.54184","CuKα","","0.0685","0.0509","","","0.1416","0.1533","","","","","","1.046","","","","has coordinates","251437","2020-10-21","18:00:00",""
"4134703","4.4481","0.0002","14.2679","0.0006","20.974","0.0012","90","","92.061","0.002","90","","1330.25","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cl2 N O -","- C15 H11 Cl2 N O -","- C60 H44 Cl8 N4 O4 -","4","1","","Cui, Wen-Jun; Wu, Zhi-Jie; Gu, Qing; You, Shu-Li","Divergent Synthesis of Tunable Cyclopentadienyl Ligands and Their Application in Rh-Catalyzed Enantioselective Synthesis of Isoindolinone.","Journal of the American Chemical Society","2020","142","16","7379","7385","10.1021/jacs.0c02813","","","0.71073","MoKα","","0.0466","0.0375","","","0.0901","0.0976","","","","","","1.019","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134704","13.4491","0.0011","16.3991","0.0014","20.2594","0.0015","90","","90","","90","","4468.3","0.6","125","2","125","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Cp2TitBuNCHNtBuOTf","","","- C20 H29 F3 N2 O3 S Ti -","- C20 H29 F3 N2 O3 S Ti -","- C160 H232 F24 N16 O24 S8 Ti8 -","8","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0684","0.0499","","","0.0984","0.1054","","","","","","1.073","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134705","15.4192","0.0007","8.5253","0.0004","14.8104","0.0007","90","","112.358","0.002","90","","1800.52","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cp2TitBuNCNtBu","","","- C19 H28 N2 Ti -","- C19 H28 N2 Ti -","- C76 H112 N8 Ti4 -","4","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0349","0.0287","","","0.0771","0.0803","","","","","","1.042","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134706","10.6267","0.0005","13.3909","0.0006","23.1232","0.0011","90","","101.037","0.002","90","","3229.6","0.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cp2TiCyNCNCyTiCp2","","","- C39 H48 N2 O0 Ti2 -","- C39 H48 N2 Ti2 -","- C156 H192 N8 Ti8 -","4","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0763","0.0621","","","0.1507","0.1598","","","","","","1.082","","","","has coordinates,has disorder","251439","2020-10-21","18:00:00",""
"4134707","10.4518","0.0016","19.916","0.003","21.075","0.003","99.063","0.006","104.113","0.007","90.366","0.005","4196.8","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Cp4Ti2CyNCNCy","","","- C33 H42 N2 Ti2 -","- C33 H42 N2 Ti2 -","- C198 H252 N12 Ti12 -","6","3","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0872","0.0731","","","0.1747","0.1806","","","","","","1.186","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134708","11.7346","0.0007","30.286","0.002","15.7125","0.0011","90","","107.969","0.003","90","","5311.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp2TiTEMPO2","","","- C28 H46 N2 O2 Ti -","- C28 H46 N2 O2 Ti -","- C224 H368 N16 O16 Ti8 -","8","2","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.114","0.0573","","","0.1239","0.1461","","","","","","1.018","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134709","14.933","0.006","8.546","0.003","15.746","0.005","90","","114.223","0.013","90","","1832.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cp2TitBuNCHNtBu","","","- C19 H29 N2 Ti -","- C19 H29 N2 Ti -","- C76 H116 N8 Ti4 -","4","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0877","0.0508","","","0.1016","0.1155","","","","","","1.034","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134710","15.4482","0.0005","11.305","0.0004","10.4848","0.0004","90","","90","","90","","1831.09","0.11","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cp2TitBuNCSNtBu","","","- C19 H28 N2 S Ti -","- C19 H28 N2 S Ti -","- C76 H112 N8 S4 Ti4 -","4","0.5","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0357","0.0283","","","0.0696","0.0755","","","","","","1.084","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134711","12.38233","0.00011","12.66874","0.00012","7.66215","0.00006","90","","90","","90","","1201.95","0.018","300","","300","","","","","","","","","4","P n 21 m","P -2 -2bc","31","","","","- Li0.687 Nb5 O15 Pb2.157 -","- Li0.685 Nb5 O15 Pb2.1565 -","- Li2.74 Nb20 O60 Pb8.626 -","4","1","","Lin, Kun; Gong, Pifu; Chu, Shihang; Li, Qiang; Lin, Zheshuai; Wu, Hui; Wang, Qingxiao; Wang, Jinguo; Kim, Moon J.; Kato, Kenichi; Wang, Chin-Wei; Liu, Xinzhi; Huang, Qingzhen; Chen, Jun; Zhu, He; Deng, Jinxia; Xing, Xianran","Strong Second Harmonic Generation in a Tungsten Bronze Oxide by Enhancing Local Structural Distortion.","Journal of the American Chemical Society","2020","142","16","7480","7486","10.1021/jacs.0c00133","powder diffraction","neutron","2.0775","neutron","","0.088","0.0787","","0.0653","0.0629","","","","2.13","","","","","","","has coordinates","251452","2020-10-21","18:00:00",""
"4134712","8.9632","0.0019","8.3819","0.0019","12.045","0.004","90","","107.15","0.03","90","","864.7","0.4","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 F O4 -","- C20 H17 F O4 -","- C40 H34 F2 O8 -","2","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.0526","0.0473","","","0.1274","0.1334","","","","","","1.061","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134713","29.794","0.002","19.1363","0.0013","16.7518","0.0011","90","","113.055","0.002","90","","8788.1","1","288","2","288","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C82 H106 Cl O14 P2 Pd2 -","- C82 H106 Cl O14 P2 Pd2 -","- C328 H424 Cl4 O56 P8 Pd8 -","4","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.0722","0.0535","","","0.138","0.1619","","","","","","1.089","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134714","11.6485","0.0003","7.7932","0.0002","11.8264","0.0003","90","","115.44","0.001","90","","969.49","0.04","301","2","301","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.038","0.0339","","","0.0917","0.0961","","","","","","1.041","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134715","8.4534","0.0002","8.7745","0.0002","26.1457","0.0006","90","","90","","90","","1939.34","0.08","302","2","301.97","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O5 -","- C23 H20 O5 -","- C92 H80 O20 -","4","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.34139","GaKα","","0.0472","0.0417","","","0.0959","0.0999","","","","","","1.052","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134716","9.9875","0.0001","11.3241","0.0001","46.9874","0.0003","90","","90","","90","","5314.25","0.08","100","0.3","100","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 N O3 S -","- C32 H31 N O3 S -","- C256 H248 N8 O24 S8 -","8","2","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0356","0.0348","","","0.0871","0.0876","","","","","","1.049","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134717","9.7618","0.0001","10.0699","0.0001","12.2302","0.0001","90","","101.541","0.001","90","","1177.93","0.02","99.8","0.9","99.8","0.9","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H27 N O3 S -","- C29 H27 N O3 S -","- C58 H54 N2 O6 S2 -","2","1","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0272","0.0265","","","0.0671","0.0675","","","","","","1.031","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134718","8.5056","0.0001","13.3487","0.0003","25.1954","0.0005","90","","90","","90","","2860.65","0.09","99.9","0.9","99.9","0.9","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 N O3 S -","- C35 H33 N O3 S -","- C140 H132 N4 O12 S4 -","4","1","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0665","0.0619","","","0.1546","0.1688","","","","","","1.136","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134719","17.4434","0.0012","5.892","0.0003","14.9985","0.001","90","","97.462","0.003","90","","1528.44","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 O3 P -","- C18 H15 O3 P -","- C72 H60 O12 P4 -","4","1","","Walton, Finlay; Bolling, John; Farrell, Andrew; MacEwen, Jamie; Syme, Christopher D.; Jiménez, Mario González; Senn, Hans M.; Wilson, Claire; Cinque, Gianfelice; Wynne, Klaas","Polyamorphism Mirrors Polymorphism in the Liquid-Liquid Transition of a Molecular Liquid.","Journal of the American Chemical Society","2020","142","16","7591","7597","10.1021/jacs.0c01712","","","0.71073","MoKα","","0.0509","0.0438","","","0.1036","0.1069","","","","","","1.07","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134723","9.3693","0.0002","9.1331","0.0002","12.3504","0.0002","90","","107.386","0.002","90","","1008.55","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Cl2 N O7 -","- C17 H27 Cl2 N O7 -","- C34 H54 Cl4 N2 O14 -","2","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0278","0.0274","","","0.0743","0.0745","","","","","","1.05","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134724","31.4309","0.0009","12.0536","0.0003","25.2006","0.0008","90","","118.833","0.004","90","","8363.8","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 Cl2 N O7.5 -","- C17 H26 Cl2 N O7.5 -","- C272 H416 Cl32 N16 O120 -","16","2","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0724","0.0652","","","0.1761","0.1817","","","","","","1.058","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134725","10.4482","0.0004","10.733","0.0004","10.9047","0.0004","91.558","0.002","113.438","0.002","118.425","0.002","950.51","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25 Cl2 N O7 -","- C17 H25 Cl2 N O7 -","- C34 H50 Cl4 N2 O14 -","2","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0505","0.0358","","","0.0773","0.0834","","","","","","1.061","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134726","24.6919","0.0015","7.6839","0.0004","9.7357","0.0006","90","","91.381","0.006","90","","1846.62","0.19","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H25 N O8 -","- C17 H25 N O8 -","- C68 H100 N4 O32 -","4","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0352","0.0338","","","0.0855","0.0864","","","","","","1.063","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134727","9.6479","0.0001","19.6056","0.0003","37.8797","0.0005","90","","90","","90","","7165.05","0.16","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cl2 N O5 -","- C16 H22 Cl2 N O5 -","- C256 H352 Cl32 N16 O80 -","16","2","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0359","0.032","","","0.0868","0.0895","","","","","","1.043","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134728","10.975","0.002","11.916","0.002","17.67","0.003","92.41","0.004","98.443","0.004","103.385","0.004","2216.8","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H15 Al F36 O4 S2 -","- C34 H15 Al F36 O4 S2 -","- C68 H30 Al2 F72 O8 S4 -","2","1","","Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.","Journal of the American Chemical Society","2020","142","16","7340","7344","10.1021/jacs.0c02141","","","0.71073","MoKα","","0.0802","0.053","","","0.1258","0.1416","","","","","","1.046","","","","has coordinates","251466","2020-10-21","18:00:00",""
"4134729","11.8539","0.0004","11.8577","0.0004","11.8905","0.0004","67.399","0.001","74.886","0.001","81.448","0.001","1487.4","0.09","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H30 S4 -","- C36 H30 S4 -","- C72 H60 S8 -","2","1","","Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.","Journal of the American Chemical Society","2020","142","16","7340","7344","10.1021/jacs.0c02141","","","1.34139","GaKα","","0.0354","0.0306","","","0.0806","0.084","","","","","","1.026","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134730","21.5825","0.0009","10.977","0.0006","30.8704","0.0013","90","","98.337","0.002","90","","7236.3","0.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H46 Al F36 O4 S4 -","- C66 H46 Al F36.0005 O4 S4 -","- C264 H184 Al4 F144.002 O16 S16 -","4","1","","Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.","Journal of the American Chemical Society","2020","142","16","7340","7344","10.1021/jacs.0c02141","","","0.71073","MoKα","","0.1341","0.0841","","","0.2027","0.2323","","","","","","1.039","","","","has coordinates,has disorder","251466","2020-10-21","18:00:00",""
"4134731","10.3835","0.0007","11.9083","0.0008","13.5373","0.001","80.634","0.004","88.346","0.004","76.95","0.004","1608.9","0.2","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","1","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","0.71073","MoKα","","0.0589","0.0435","","","0.1069","0.1165","","","","","","1.024","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134732","7.2668","0.0016","12.68","0.003","20.209","0.007","80.52","0.03","84.99","0.02","87.23","0.02","1828.6","0.9","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H64 F24 N6 P4 -","- C82 H64 F24 N6 P4 -","- C82 H64 F24 N6 P4 -","1","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.2287","0.1461","","","0.3218","0.3735","","","","","","1.096","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134733","41.838","0.006","12.659","0.0019","29.003","0.004","90","","94.518","0.003","90","","15313","4","100","2","100.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C544 H432 F192 N48 P32 -","8","1","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","0.71073","MoKα","","0.1516","0.1223","","","0.3618","0.3937","","","","","","1.573","","","","has coordinates","251441","2020-10-21","18:00:00",""
"4134734","12.0098","0.0009","34.634","0.003","39.679","0.003","90","","90","","90","","16504","2","100","2","100","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C544 H432 F192 N48 P32 -","8","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.0903","0.0752","","","0.204","0.2162","","","","","","1.044","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4134735","11.9331","0.0007","14.1803","0.0009","42.533","0.002","90","","90","","90","","7197.2","0.7","100","2","99.98","","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C65 H49.5 F24 N4.5 P4 -","- C65 H49.5 F24 N4.5 P4 -","- C260 H198 F96 N18 P16 -","4","1","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.2299","0.1971","","","0.4554","0.4836","","","","","","1.717","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4134743","11.483","0.002","11.901","0.002","18.093","0.004","90.88","0.03","96.38","0.03","91.6","0.03","2455.9","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H43 F18 N13 P3 V -","- C40 H43 F18 N13 P3 V -","- C80 H86 F36 N26 P6 V2 -","2","1","","Dorn, Matthias; Kalmbach, Jens; Boden, Pit; Päpcke, Ayla; Gómez, Sandra; Förster, Christoph; Kuczelinis, Felix; Carrella, Luca M.; Büldt, Laura A; Bings, Nicolas H.; Rentschler, Eva; Lochbrunner, Stefan; González, Leticia; Gerhards, Markus; Seitz, Michael; Heinze, Katja","A Vanadium(III) Complex with Blue and NIR-II Spin-Flip Luminescence in Solution.","Journal of the American Chemical Society","2020","142","17","7947","7955","10.1021/jacs.0c02122","","","0.71073","MoKα","","0.0548","0.0409","","","0.106","0.1126","","","","","","1.028","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134744","19.6982","0.0013","18.6978","0.0013","20.3197","0.0014","90","","90","","90","","7484","0.9","100","2","100.03","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38.88 H51.66 Ni P2 S Si -","- C38.884 H51.652 Ni P2 S Si -","- C311.072 H413.216 Ni8 P16 S8 Si8 -","8","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0547","0.0355","","","0.0793","0.0866","","","","","","1.02","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134745","10.579","0.0004","26.7073","0.0009","13.485","0.0005","90","","96.329","0.001","90","","3786.8","0.2","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 K Ni P2 S Si -","- C36 H45 K Ni P2 S Si -","- C144 H180 K4 Ni4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0429","0.0319","","","0.0739","0.0782","","","","","","1.023","","","","has coordinates,has disorder","251440","2020-10-21","18:00:00",""
"4134746","16.5609","0.0017","19.0517","0.001","24.6555","0.0018","90","","108.276","0.004","90","","7386.7","1","100","2","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 N Ni O P2 S Si -","- C40 H52 N Ni O P2 S Si -","- C320 H416 N8 Ni8 O8 P16 S8 Si8 -","8","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.063","0.0441","","","0.0901","0.0972","","","","","","1.067","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134747","10.6333","0.0009","23.759","0.004","13.7441","0.0013","90","","107.008","0.006","90","","3320.4","0.7","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Ni P2 S Si -","- C36 H44 Ni P2 S Si -","- C144 H176 Ni4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","1.54178","CuKα","","0.0597","0.0511","","","0.1213","0.1255","","","","","","1.153","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134748","11.6307","0.0006","24.5754","0.0012","17.3135","0.0007","90","","103.426","0.002","90","","4813.5","0.4","100","2","100.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 Li Ni O P2 S Si -","- C41 H57 Li Ni O P2 S Si -","- C164 H228 Li4 Ni4 O4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0927","0.0665","","","0.1457","0.1564","","","","","","1.059","","","","has coordinates,has disorder","251440","2020-10-21","18:00:00",""
"4134749","12.5356","0.0008","17.6421","0.0011","15.1447","0.0016","90","","91.473","0.005","90","","3348.2","0.5","100","2","100.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.87 H46.6 N0.26 Ni P2 S Si -","- C36.868 H46.604 N0.264 Ni P2 S Si -","- C147.472 H186.416 N1.056 Ni4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","1.54178","CuKα","","0.0459","0.0352","","","0.0868","0.0924","","","","","","1.023","","","","has coordinates,has disorder","251440","2020-10-21","18:00:00",""
"4134750","26.428","0.005","34.545","0.007","48.902","0.01","79.82","0.03","85.36","0.03","78.09","0.03","42951","16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C312 H210 Co6 F72 N72 O48 S24 -","- C296 H210 Co6 F24 N64 O16 S8 -","- C1184 H840 Co24 F96 N256 O64 S32 -","4","2","","Rizzuto, Felix J.; Nitschke, Jonathan R.","Narcissistic, Integrative, and Kinetic Self-Sorting within a System of Coordination Cages.","Journal of the American Chemical Society","2020","142","17","7749","7753","10.1021/jacs.0c02444","","","0.6889","Synchrotron","","0.2107","0.1698","","","0.3991","0.4249","","","","","","1.089","","","","has coordinates,has disorder","251444","2020-10-21","18:00:00",""
"4134757","15.6733","0.0003","23.5355","0.0004","26.0438","0.0004","90","","90","","90","","9607","0.3","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C94 H124 Al2 Cl4 Mn2 N4 O21 -","- C94 H124 Al2 Cl4 Mn2 N4 O21 -","- C376 H496 Al8 Cl16 Mn8 N16 O84 -","4","1","","Lamb, Jessica R.; Hubbell, Aran K.; MacMillan, Samantha N.; Coates, Geoffrey W.","Carbonylative, Catalytic Deoxygenation of 2,3-Disubstituted Epoxides with Inversion of Stereochemistry: An Alternative Alkene Isomerization Method.","Journal of the American Chemical Society","2020","142","17","8029","8035","10.1021/jacs.0c02653","","x-ray","0.71073","MoKα","","0.045","0.0404","","","0.1021","0.1044","","","","","","1.021","","","","has coordinates,has disorder","251443","2020-10-21","18:00:00",""
"4134758","7.0319","0.0004","8.2216","0.0003","22.6065","0.0012","100.434","0.004","91.333","0.005","93.497","0.004","1282.17","0.11","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 O2 Si -","- C20 H20 O2 Si -","- C40 H40 O4 Si2 -","2","1","","Tang, Jinghua; Liu, Liu Leo; Yang, Shangru; Cong, Xuefeng; Luo, Meiming; Zeng, Xiaoming","Chemoselective Cross-Coupling between Two Different and Unactivated C(aryl)-O Bonds Enabled by Chromium Catalysis.","Journal of the American Chemical Society","2020","142","17","7715","7720","10.1021/jacs.0c00283","","x-ray","0.71073","MoKα","","0.0911","0.0533","","","0.1321","0.1476","","","","","","0.978","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134868","20.4511","0.0003","20.4511","0.0003","25.0437","0.0007","90","","90","","120","","9071.2","0.3","253","2","253","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C64 H128 La4 N32 O80 Rb4 -","- C68 H40 La4 N28 O79.9992 Rb4 -","- C204 H120 La12 N84 O239.998 Rb12 -","3","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0923","0.0878","","","0.1714","0.1732","","","","","","1.144","","","","has coordinates,has disorder","252617","2020-10-21","18:00:00",""
"4134869","14.502","","14.502","","14.502","","90","","90","","90","","3049.89","","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C16 H34 La N8 O20 Rb -","- C17 H13.9999 La N7 O19.9998 Rb -","- C68 H55.9996 La4 N28 O79.9992 Rb4 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0604","0.0537","","","0.1398","0.1426","","","","","","1.231","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134870","14.549","","14.549","","14.549","","90","","90","","90","","3079.64","","350","2","350","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C16 H34 La N8 O20 Rb -","- C17 H13.9999 La N7 O19.9998 Rb -","- C68 H55.9996 La4 N28 O79.9992 Rb4 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0616","0.0535","","","0.1382","0.1417","","","","","","1.107","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134871","20.5225","0.0005","20.5225","0.0005","25.052","0.0007","90","","90","","120","","9137.6","0.4","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C64 H128 La4 N33.33 O80 -","- C68 H40 La4 N32 O79.9992 -","- C204 H120 La12 N96 O239.998 -","3","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0789","0.0729","","","0.1843","0.1867","","","","","","1.583","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134872","14.5479","0.0001","14.5479","0.0001","14.5479","0.0001","90","","90","","90","","3078.94","0.04","353","2","353","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C16 H36 La N9 O20 -","- C14 H13 La N8 O19.9998 -","- C56 H52 La4 N32 O79.9992 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0558","0.0489","","","0.1298","0.1355","","","","","","1.088","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134900","11.0535","0.0008","13.1232","0.0008","12.7009","0.0009","90","","108.368","0.002","90","","1748.5","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F6 I O2 -","- C16 H17 F6 I O2 -","- C64 H68 F24 I4 O8 -","4","1","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.0544","0.0378","","","0.0749","0.09","","","","","","1.298","","","","has coordinates","252607","2020-10-21","18:00:00",""
"4134901","16.2807","0.0004","12.2181","0.0002","21.3944","0.0004","90","","90","","90","","4255.76","0.15","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18.5 H14 Cl F6 I O2 -","- C18.501 H14.002 Cl1.002 F6 I O2 -","- C148.008 H112.016 Cl8.016 F48 I8 O16 -","8","2","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.1518","0.088","","","0.1499","0.174","","","","","","1.104","","","","has coordinates,has disorder","252607","2020-10-21","18:00:00",""
"4134902","7.442","0.0003","11.8848","0.0005","12.5542","0.0005","116.944","0.0013","95.0969","0.0014","102.62","0.0015","943.14","0.07","174","2","174","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 F6 I O2 Si -","- C15 H17 F6 I O2 Si -","- C30 H34 F12 I2 O4 Si2 -","2","1","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.0411","0.0302","","","0.0512","0.0556","","","","","","1.064","","","","has coordinates","252607","2020-10-21","18:00:00",""
"4134903","15.095","0.0004","12.5082","0.0003","20.9361","0.0005","90","","105.178","0.0009","90","","3815.08","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 F6 I O2 -","- C19 H15 F6 I O2 -","- C152 H120 F48 I8 O16 -","8","2","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.0632","0.0431","","","0.0606","0.0657","","","","","","1.136","","","","has coordinates","252607","2020-10-21","18:00:00",""
"4134907","24.8897","0.0002","50.19","0.0003","90.1828","0.0004","90","","90","","90","","112658","1.2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C438 H420 Cd6 F36 N60 O60 S12 -","- C433.71 H420 Cd6 F23.13 N60 O47.13 S7.71 -","- C3469.68 H3360 Cd48 F185.04 N480 O377.04 S61.68 -","8","1","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","0.6889","Synchrotron","","0.1742","0.1488","","","0.3915","0.4093","","","","","","1.172","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4134908","22.9361","0.0015","23.5657","0.0015","48.429","0.003","90.316","0.002","93.473","0.002","99.963","0.002","25731","3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C246.5 H171.75 Cd4 F24 N41.25 O36 S8 -","- C245.204 H170.25 Cd4 F20.1135 N41.25 O32.1135 S6.7045 -","- C980.818 H681 Cd16 F80.454 N165 O128.454 S26.818 -","4","2","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","1.54178","CuKα","","0.1323","0.0948","","","0.2524","0.2837","","","","","","1.007","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4134909","18.925","0.004","19.158","0.004","48.752","0.01","90","","93.26","0.03","90","","17647","6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C164 H117 F24 Fe2 N25 O16 S8 -","- C161.946 H117 F17.838 Fe2 N23.968 O11.892 S5.946 -","- C647.784 H468 F71.352 Fe8 N95.872 O47.568 S23.784 -","4","1","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","0.6889","Synchrotron","","0.1659","0.1303","","","0.3425","0.3686","","","","","","1.012","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4134913","10.17","0.005","18.68","0.005","10.35","0.005","90","","101.22","0.05","90","","1928.7","1.5","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C17 H15 Cu N3 O5 -","- C17 H15 Cu N3 O5 -","- C68 H60 Cu4 N12 O20 -","4","0.5","","Ortín-Rubio, Borja; Ghasempour, Hosein; Guillerm, Vincent; Morsali, Ali; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands.","Journal of the American Chemical Society","2020","142","20","9135","9140","10.1021/jacs.0c03404","","","0.82653","synchrotron","","0.0592","0.0566","","","0.1754","0.1785","","","","","","1.125","","","","has coordinates,has disorder","252609","2020-10-21","18:00:00",""
"4134914","17.29","0.005","17.43","0.005","24.11","0.005","90","","91.22","0.05","90","","7264","3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10.5 H6 O4.5 Tb0.75 -","- C10.5 H6 O4.5 Tb0.75 -","- C168 H96 O72 Tb12 -","16","4","","Ortín-Rubio, Borja; Ghasempour, Hosein; Guillerm, Vincent; Morsali, Ali; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands.","Journal of the American Chemical Society","2020","142","20","9135","9140","10.1021/jacs.0c03404","","","0.82653","synchrotron","","0.044","0.042","","","0.1244","0.1262","","","","","","1.091","","","","has coordinates","252609","2020-10-21","18:00:00",""
"4134915","6.9388","0.0002","15.0508","0.0003","32.586","0.0008","90","","90","","90","","3403.1","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Br Cl N3 O -","- C17 H17 Br Cl N3 O -","- C136 H136 Br8 Cl8 N24 O8 -","8","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","1.54178","CuKα","","0.0585","0.0459","","","0.0949","0.0996","","","","","","1.047","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134916","7.0227","0.0003","15.3766","0.0006","15.8486","0.0006","90","","99.589","0.003","90","","1687.5","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 Br Cl N3 O -","- C16 H21 Br Cl N3 O -","- C64 H84 Br4 Cl4 N12 O4 -","4","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","1.54178","CuKα","","0.0668","0.0648","","","0.1692","0.1712","","","","","","1.159","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134917","9.7525","0.0002","10.9189","0.0002","11.7345","0.0002","115.117","0.0011","96.8758","0.0012","106.146","0.0011","1045.39","0.04","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H24 Br F3 O2 Si -","- C19.9995 H24 Br F2.9985 O2 Si -","- C39.999 H48 Br2 F5.997 O4 Si2 -","2","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","0.71073","MoKα","","0.0247","0.0234","","","0.0582","0.0587","","","","","","1.029","","","","has coordinates,has disorder","252610","2020-10-21","18:00:00",""
"4134918","31.216","0.003","8.4388","0.0008","8.5385","0.0008","90","","93.3905","0.0017","90","","2245.3","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H28 Br Cl N3 O1.5 -","- C23 H28 Br Cl N3 O1.5 -","- C92 H112 Br4 Cl4 N12 O6 -","4","1","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","0.71073","MoKα","","0.0377","0.0327","","","0.0621","0.0636","","","","","","1.042","","","","has coordinates,has disorder","252610","2020-10-21","18:00:00",""
"4134935","6.8955","0.0002","15.5594","0.0004","21.9079","0.0006","90","","90","","90","","2350.5","0.11","100.01","","100.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5S*,10R*,12R*,14S*)-6-chloro-2-methyl-5,10-dihydro-1H-5,10-[2,3]epoxireno[1,2,4]triazolo[1,2-b]phthalazine-1,3(2H)-dione","","- C13 H10 Cl N3 O3 -","- C13 H10 Cl N3 O3 -","- C104 H80 Cl8 N24 O24 -","8","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0418","0.0335","","","0.0788","0.0826","","","","","","1.099","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134936","24.6871","0.0011","6.8296","0.0003","21.0493","0.0009","90","","119.699","0.001","90","","3082.8","0.2","99.99","","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(5R*,11S*,12S*,14R*)-4-chloro-8-methyl-2-(trifluoromethyl)-5,11-dihydro-7H-11,5-[2,3]epoxirenopyrido[2,3-d][1,2,4]triazolo[1,2-a]pyridazine-7,9(8H)-dione","","- C13.5 H9 Cl2 F3 N4 O3 -","- C13.5 H9 Cl2 F3 N4 O3 -","- C108 H72 Cl16 F24 N32 O24 -","8","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0294","0.0283","","","0.073","0.074","","","","","","1.038","","","","has coordinates,has disorder","257115","2020-10-21","18:00:00",""
"4134937","7.8858","0.0002","6.0451","0.0002","8.4347","0.0003","90","","114.305","0.001","90","","366.45","0.02","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","benzo[d]oxepine","","- C10 H8 O -","- C10 H8 O -","- C20 H16 O2 -","2","0.5","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.043","0.0421","","","0.112","0.1126","","","","","","1.166","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134938","7.5594","0.0007","15.3365","0.0014","7.7117","0.0007","90","","98.206","0.002","90","","884.9","0.14","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1aR*,2S*,8R*,8aS*)-5-methyl-1a,2,8,8a-tetrahydro-4H-2,8-ethenooxireno[2,3-d][1,2,4]triazolo[1,2-a]pyridazine-4,6(5H)-dione","","- C9 H9 N3 O3 -","- C9 H9 N3 O3 -","- C36 H36 N12 O12 -","4","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0469","0.0418","","","0.1242","0.1306","","","","","","1.036","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134949","5.9297","0.0004","9.0915","0.0006","19.9795","0.0014","90","","90","","90","","1077.09","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","YCL2-14","","","- C10 H16 Br N O2 -","- C10 H16 Br N O2 -","- C40 H64 Br4 N4 O8 -","4","1","","Lin, You-Chen; Ribaucourt, Aubert; Moazami, Yasamin; Pierce, Joshua G.","Concise Synthesis and Antimicrobial Evaluation of the Guanidinium Alkaloid Batzelladine D: Development of a Stereodivergent Strategy.","Journal of the American Chemical Society","2020","142","21","9850","9857","10.1021/jacs.0c04091","","","0.71073","MoKα","","0.0342","0.0247","","","0.0521","0.0547","","","","","","1.031","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134950","12.8389","0.0005","11.5893","0.0004","11.69","0.0004","90","","90.6262","0.0012","90","","1739.3","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 N O2 Si -","- C15 H29 N O2 Si -","- C60 H116 N4 O8 Si4 -","4","1","","Lin, You-Chen; Ribaucourt, Aubert; Moazami, Yasamin; Pierce, Joshua G.","Concise Synthesis and Antimicrobial Evaluation of the Guanidinium Alkaloid Batzelladine D: Development of a Stereodivergent Strategy.","Journal of the American Chemical Society","2020","142","21","9850","9857","10.1021/jacs.0c04091","","","0.71073","MoKα","","0.045","0.0339","","","0.0843","0.0901","","","","","","1.029","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134951","30.5594","0.0014","30.5594","0.0014","25.331","0.003","90","","90","","120","","20487","3","173","","173","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C58 H38 I0 N0 O17 Zr3 -","- C58 H38 O17 Zr3 -","- C522 H342 O153 Zr27 -","9","0.5","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","1.54178","CuKα","","0.0845","0.0685","","","0.1814","0.204","","","","","","1.058","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134952","30.654","0.004","30.654","0.004","24.9","0.007","90","","90","","120","","20263","7","173","","173","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C42 H30 O17 Zr3 -","- C42 H30 O17 Zr3 -","- C378 H270 O153 Zr27 -","9","0.5","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","1.54178","CuKα","","0.0979","0.0543","","","0.1178","0.1356","","","","","","0.931","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134953","16.031","0.002","36.971","0.005","44.102","0.005","90","","90","","90","","26138","6","173","","173","","","","","","","","","4","F m m m","-F 2 2","69","","","","- C56 H30 O20 Zr3 -","- C56 H30 O20 Zr3 -","- C448 H240 O160 Zr24 -","8","0.25","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","0.71073","MoKα","","0.1093","0.0764","","","0.1983","0.2325","","","","","","1.064","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134954","18.1834","0.0015","33.744","0.002","34.489","0.002","90","","90","","90","","21162","2","173","","173","","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H22 O20 Zr3 -","- C40 H22 O20 Zr3 -","- C320 H176 O160 Zr24 -","8","0.25","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","0.71073","MoKα","","0.0871","0.0547","","","0.172","0.1961","","","","","","1.128","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134955","13.2744","0.0003","14.5586","0.0004","16.0139","0.0005","74.834","0.003","76.745","0.002","81.664","0.002","2895.51","0.14","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H76 F6 N2 O13 -","- C58 H76 F6 N2 O13 -","- C116 H152 F12 N4 O26 -","2","1","","Tian, Chong; Fielden, Stephen D. P.; Pérez-Saavedra, Borja; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Single-Step Enantioselective Synthesis of Mechanically Planar Chiral [2]Rotaxanes Using a Chiral Leaving Group Strategy.","Journal of the American Chemical Society","2020","142","21","9803","9808","10.1021/jacs.0c03447","","x-ray","1.54184","CuKα","","0.0522","0.0455","","","0.1093","0.1132","","","","","","1.046","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134956","31.6505","0.0013","31.6505","0.0013","28.6511","0.0015","90","","90","","120","","24856.1","1.9","150","2","150","2","","","","","","","","7","P -3 m 1","-P 3 2""","164","","","","- C468 H396 Cu24 N12 O278 S24 Zr24 -","- C468 H396 Cu24 N12 O278 S24 Zr24 -","- C468 H396 Cu24 N12 O278 S24 Zr24 -","1","0.0833333","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.0971","0.0707","","","0.1967","0.2236","","","","","","1.026","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134957","35.9458","0.0006","35.9458","0.0006","28.285","0.0007","90","","90","","90","","36547.1","1.2","150","2","150","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C300 H348 Cu24 N36 O204 S24 -","- C300 H348 Cu24 N36 O204 S24 -","- C600 H696 Cu48 N72 O408 S48 -","2","0.125","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.1094","0.0924","","","0.2624","0.298","","","","","","1.021","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134958","35.291","0.003","17.2056","0.0014","35.416","0.002","90","","117.236","0.004","90","","19120","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H120 F12 O52 S4 Zr12 -","- C124 H120 F12 O52 S4 Zr12 -","- C496 H480 F48 O208 S16 Zr48 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.1079","0.0898","","","0.2168","0.2295","","","","","","0.977","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134959","36.587","0.004","36.587","0.004","36.587","0.004","90","","90","","90","","48976","9","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H120 Cl4 O40 Zr12 -","- C120 H120 Cl4.0002 O40 Zr12 -","- C960 H960 Cl32.0016 O320 Zr96 -","8","0.0416667","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.0905","0.0721","","","0.2016","0.2275","","","","","","1.076","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134960","43.599","0.004","43.599","0.004","43.599","0.004","90","","90","","90","","82876","13","103","2","103","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C400 H280 Cu24 O272 S24 Zr24 -","- C399.974 H279.974 Cu24 O272 S24 Zr24 -","- C1599.9 H1119.9 Cu96 O1088 S96 Zr96 -","4","0.0208333","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.2593","0.2023","","","0.5032","0.5595","","","","","","2.291","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134961","9.8817","0.0006","19.0615","0.0015","7.877","0.0005","90","","90","","90","","1483.71","0.17","190","2","189.96","","","","","","","","","8","C m m m","-C 2 2","65","","","","- C22 H26 Cu F6 N4 O4 S2 Si -","- C22 H26 Cu F6 N4 O4 S2 Si -","- C44 H52 Cu2 F12 N8 O8 S4 Si2 -","2","0.125","","Wang, Jun; Zhang, Yan; Zhang, Peixin; Hu, Jianbo; Lin, Rui-Biao; Deng, Qiang; Zeng, Zheling; Xing, Huabin; Deng, Shuguang; Chen, Banglin","Optimizing Pore Space for Flexible-Robust Metal-Organic Framework to Boost Trace Acetylene Removal.","Journal of the American Chemical Society","2020","142","21","9744","9751","10.1021/jacs.0c02594","","","1.34139","GaKα","","0.0751","0.0669","","","0.1928","0.2026","","","","","","1.078","","","","has coordinates,has disorder","252595","2020-10-21","18:00:00",""
"4134962","19.04","0.004","9.9063","0.0018","15.835","0.003","90","","90","","90","","2986.7","1","193","2","193","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C20 H28 Cu F6 N4 O6 S2 Si -","- C20 H28 Cu F6 N4 O6 S2 Si -","- C80 H112 Cu4 F24 N16 O24 S8 Si4 -","4","0.25","","Wang, Jun; Zhang, Yan; Zhang, Peixin; Hu, Jianbo; Lin, Rui-Biao; Deng, Qiang; Zeng, Zheling; Xing, Huabin; Deng, Shuguang; Chen, Banglin","Optimizing Pore Space for Flexible-Robust Metal-Organic Framework to Boost Trace Acetylene Removal.","Journal of the American Chemical Society","2020","142","21","9744","9751","10.1021/jacs.0c02594","","","1.34139","GaKα","","0.0862","0.0752","","","0.239","0.2579","","","","","","1.08","","","","has coordinates,has disorder","252595","2020-10-21","18:00:00",""
"4134963","8.9325","0.0002","10.847","0.0003","10.2984","0.0003","90","","96.103","0.001","90","","992.17","0.05","152","2","152","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O3 -","- C25 H24 O3 -","- C50 H48 O6 -","2","1","","Wang, Huanan; Luo, Hongwen; Zhang, Zhan-Ming; Zheng, Wei-Feng; Yin, Yu; Qian, Hui; Zhang, Junliang; Ma, Shengming","Pd-Catalyzed Enantioselective Syntheses of Trisubstituted Allenes via Coupling of Propargylic Benzoates with Organoboronic Acids.","Journal of the American Chemical Society","2020","142","21","9763","9771","10.1021/jacs.0c02876","","","1.54178","CuKα","","0.0324","0.0321","","","0.0905","0.0909","","","","","","1.113","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134968","18.7383","0.0003","11.5764","0.0003","22.1767","0.0005","90","","93.211","0.002","90","","4803.06","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","PTZ","","- C33 H21 N3 S -","- C33 H21 N3 S -","- C264 H168 N24 S8 -","8","1","","Usui, Ryosuke; Yamamoto, Katsuya; Okajima, Hajime; Mutoh, Katsuya; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi","Photochromic Radical Complexes That Show Heterolytic Bond Dissociation.","Journal of the American Chemical Society","2020","142","22","10132","10142","10.1021/jacs.0c02739","","x-ray","0.71073","MoKα","","0.0698","0.0547","","","0.1433","0.1545","","","","","","1.063","","","","has coordinates","257110","2020-10-21","18:00:00",""
"4134969","6.8256","0.0004","12.4886","0.0008","14.5776","0.0009","92.607","0.005","93.237","0.005","105.501","0.005","1193.14","0.13","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H21 N3 O -","- C33 H21 N3 O -","- C66 H42 N6 O2 -","2","1","","Usui, Ryosuke; Yamamoto, Katsuya; Okajima, Hajime; Mutoh, Katsuya; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi","Photochromic Radical Complexes That Show Heterolytic Bond Dissociation.","Journal of the American Chemical Society","2020","142","22","10132","10142","10.1021/jacs.0c02739","","x-ray","0.71073","MoKα","","0.0808","0.0533","","","0.1471","0.168","","","","","","1.037","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134970","16.6921","0.0002","24.5705","0.0004","30.887","0.0004","74.761","0.001","85.289","0.001","73.432","0.001","11714.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C242 H172 B F20 N10 O22 Pd2 -","- C242 H172 B F20 N10 O22 Pd2 -","- C484 H344 B2 F40 N20 O44 Pd4 -","2","1","","Kishida, Natsuki; Matsumoto, Kyosuke; Tanaka, Yuya; Akita, Munetaka; Sakurai, Hidehiro; Yoshizawa, Michito","Anisotropic Contraction of a Polyaromatic Capsule and Its Cavity-Induced Compression Effect.","Journal of the American Chemical Society","2020","142","21","9599","9603","10.1021/jacs.0c02932","","x-ray","1.54184","CuKα","","0.1638","0.1442","","","0.4296","0.4471","","","","","","1.819","","","","has coordinates,has disorder","252612","2020-10-21","18:00:00",""
"4134971","5.7339","0.0006","46.854","0.005","6.9754","0.0007","90","","96.287","0.006","90","","1862.7","0.3","298.08","","298.08","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Br F9 O2 S -","- C14 H12 Br F9 O2 S -","- C56 H48 Br4 F36 O8 S4 -","4","2","","Tu, Hai-Yong; Wang, Fang; Huo, Liping; Li, Yuanbo; Zhu, Shengqing; Zhao, Xian; Li, Huan; Qing, Feng-Ling; Chu, Lingling","Enantioselective Three-Component Fluoroalkylarylation of Unactivated Olefins through Nickel-Catalyzed Cross-Electrophile Coupling.","Journal of the American Chemical Society","2020","142","21","9604","9611","10.1021/jacs.0c03708","","","1.54178","CuKα","","0.0857","0.0599","","","0.1517","0.1694","","","","","","1.04","","","","has coordinates,has disorder","252616","2020-10-21","18:00:00",""
"4134972","12.8696","0.0002","12.8696","0.0002","27.1408","0.0006","90","","90","","120","","3892.99","0.12","123.15","","123.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C8 H5 Al0.333 F5 O0.333 P0.333 -","- C8 H5 Al0.333333 F5 O0.333333 P0.333333 -","- C144 H90 Al6 F90 O6 P6 -","18","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0309","0.0301","","","0.0778","0.0783","","","","","","1.0423","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134973","10.7445","0.0002","13.4502","0.0002","21.5779","0.0003","102.082","0.0014","99.1286","0.0014","109.539","0.0016","2783.81","0.09","123.15","","123.15","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H46 Al Cu F15 N2 O2 P -","- C45 H46 Al Cu F15 N2 O2 P -","- C90 H92 Al2 Cu2 F30 N4 O4 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0437","0.0417","","","0.1177","0.1194","","","","","","1.0344","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134974","10.7379","0.0001","13.4792","0.0002","21.5394","0.0002","102.294","0.001","98.951","0.001","108.873","0.001","2796.08","0.06","123.15","","123.15","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H48 Al Cu F15 N2 O2 P -","- C45 H48 Al Cu F15 N2 O2 P -","- C90 H96 Al2 Cu2 F30 N4 O4 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0456","0.0426","","","0.1218","0.1247","","","","","","1.0271","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134975","12.4894","0.0002","19.8533","0.0003","19.8687","0.0004","90","","104.524","0.002","90","","4769.12","0.15","123.15","","123.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 Al Cu F15 N2 O2 P -","- C39 H34 Al Cu F15 N2 O2 P -","- C156 H136 Al4 Cu4 F60 N8 O8 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0513","0.0463","","","0.1293","0.1347","","","","","","1.0194","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134976","10.6515","0.0003","12.2115","0.0003","18.7731","0.0005","77.285","0.002","87.441","0.002","77.196","0.002","2322.7","0.11","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H45 Al F15 N2 O P -","- C48 H45 Al F15 N2 O P -","- C96 H90 Al2 F30 N4 O2 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","0.71073","MoKα","","0.0662","0.0507","","","0.1343","0.1431","","","","","","1.0251","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134977","10.7276","0.0003","12.1842","0.0003","18.7183","0.0005","77.186","0.002","87.431","0.002","77.69","0.002","2330.83","0.11","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H47 Al F15 N2 O P -","- C48 H47 Al F15 N2 O P -","- C96 H94 Al2 F30 N4 O2 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","0.71073","MoKα","","0.0661","0.0495","","","0.1292","0.1393","","","","","","1.0327","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134978","23.7593","0.0003","13.3807","0.0002","21.4965","0.0003","90","","90","","90","","6834.08","0.16","123.15","","123.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H54 Cu N2 O3 P -","- C31 H54 Cu N2 O3 P -","- C248 H432 Cu8 N16 O24 P8 -","8","2","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0905","0.0805","","","0.2384","0.2845","","","","","","1.2656","","","","has coordinates","301408","2025-07-30","05:56:17",""
"4134979","10.478","0.0001","19.7596","0.0001","21.5187","0.0002","90","","103.503","0.001","90","","4332.1","0.06","123.15","","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Al F15 N2 O P -","- C44 H40 Al F15 N2 O P -","- C176 H160 Al4 F60 N8 O4 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0324","0.0307","","","0.0775","0.0786","","","","","","1.0385","","","","has coordinates,has disorder","252620","2020-10-21","18:00:00",""
"4134980","11.6018","0.0002","19.0189","0.0004","19.6291","0.0004","70.363","0.002","79.054","0.002","89.263","0.002","3999.03","0.15","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H35 Al F15 N2 O P -","- C39 H35 Al F15 N2 O P -","- C156 H140 Al4 F60 N8 O4 P4 -","4","2","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0374","0.0334","","","0.087","0.0894","","","","","","1.045","","","","has coordinates","301408","2025-07-30","05:56:21",""
"4134981","19.1617","0.0002","19.1616","0.0002","38.3323","0.0004","90","","90","","90","","14074.4","0.3","123.15","","123.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H83 Al Cu F15 N4 O3 P2 -","- C68 H83 Al Cu F15 N4 O3 P2 -","- C544 H664 Al8 Cu8 F120 N32 O24 P16 -","8","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0506","0.041","","","0.1003","0.1054","","","","","","1.0415","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134982","13.1271","0.0013","29.4891","0.0016","13.6529","0.0012","90","","115.889","0.011","90","","4754.7","0.8","123.15","","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H41 Al Cu F15 N2 O -","- C50 H41 Al Cu F15 N2 O -","- C200 H164 Al4 Cu4 F60 N8 O4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.1029","0.0768","","","0.1737","0.1888","","","","","","1.09","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134983","9.6259","0.0002","12.1938","0.0003","16.5765","0.0004","106.815","0.002","91.023","0.002","96.979","0.002","1845.82","0.08","123.15","","123.15","","","","","","","","","9","P -1","-P 1","2","","","","- C33 H34 Al Br Cu F10 N2 O2 P -","- C33 H34 Al Br Cu F10 N2 O2 P -","- C66 H68 Al2 Br2 Cu2 F20 N4 O4 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.028","0.0266","","","0.0678","0.0685","","","","","","1.0569","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134984","12.6447","0.0001","17.084","0.0001","13.2667","0.0001","90","","91.894","0.001","90","","2864.33","0.04","123.15","","123.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C46 H62 Al Br7 Cu4 N4 O2 P2 -","- C46 H62 Al Br7 Cu4 N4 O2 P2 -","- C92 H124 Al2 Br14 Cu8 N8 O4 P4 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.024","0.0235","","","0.0627","0.0635","","","","","","1.0429","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134985","7.0283","0.0016","16.024","0.004","12.874","0.003","90","","92.36","0.014","90","","1448.7","0.6","170","2","170.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cu F6 N2 -","- C13 H11 Cu F6 N2 -","- C52 H44 Cu4 F24 N8 -","4","1","","Liu, Shuanshuan; Liu, He; Liu, Shihan; Lu, Zehai; Lu, Changhui; Leng, Xuebing; Lan, Yu; Shen, Qilong","C(sp<sup>3</sup>)-CF<sub>3</sub> Reductive Elimination from a Five-Coordinate Neutral Copper(III) Complex.","Journal of the American Chemical Society","2020","142","21","9785","9791","10.1021/jacs.0c03304","","","1.34139","GaKα","","0.1349","0.08","","","0.1985","0.2318","","","","","","1.036","","","","has coordinates","252596","2020-10-21","18:00:00",""
"4134986","12.2651","0.0007","21.5126","0.0012","23.1911","0.0013","102.299","0.002","91.505","0.002","90.837","0.002","5975.3","0.6","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H78 F3 N6 O4 P S -","- C63 H78 F3 N6 O4 P S -","- C252 H312 F12 N24 O16 P4 S4 -","4","2","","Löwe, Pawel; Feldt, Milica; Wünsche, Marius A; Wilm, Lukas F. B.; Dielmann, Fabian","Oxophosphonium-Alkyne Cycloaddition Reactions: Reversible Formation of 1,2-Oxaphosphetes and Six-membered Phosphorus Heterocycles.","Journal of the American Chemical Society","2020","142","21","9818","9826","10.1021/jacs.0c03494","","","0.71073","MoKα","","0.0958","0.0823","","","0.1954","0.2043","","","","","","1.039","","","","has coordinates,has disorder","252597","2020-10-21","18:00:00",""
"4134987","14.4315","0.0009","33.871","0.002","19.0779","0.0011","90","","98.973","0.002","90","","9211.3","1","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H93 B F24 N7 O P -","- C96 H93 B F24 N7 O P -","- C384 H372 B4 F96 N28 O4 P4 -","4","1","","Löwe, Pawel; Feldt, Milica; Wünsche, Marius A; Wilm, Lukas F. B.; Dielmann, Fabian","Oxophosphonium-Alkyne Cycloaddition Reactions: Reversible Formation of 1,2-Oxaphosphetes and Six-membered Phosphorus Heterocycles.","Journal of the American Chemical Society","2020","142","21","9818","9826","10.1021/jacs.0c03494","","","0.71073","MoKα","","0.0842","0.0751","","","0.2072","0.2163","","","","","","1.027","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4134988","8.7026","0.0008","19.539","0.002","8.1692","0.0008","90","","90","","90","","1389.1","0.2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H14 I3 N Pb -","- C6 H14 I3 N Pb -","- C24 H56 I12 N4 Pb4 -","4","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0545","0.038","","","0.1035","0.1111","","","","","","0.95","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134989","10.7896","0.0006","8.1584","0.0004","10.5876","0.0006","90","","90","","90","","931.98","0.09","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C6 H14 I N -","- C6 H14 I N -","- C24 H56 I4 N4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0523","0.0325","","","0.0932","0.1017","","","","","","1.044","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4134990","27.464","0.009","6.5518","0.001","6.5518","0.001","90","","90","","90","","1178.9","0.5","423","2","423","2","","","","","","","","6","I m m 2","I 2 -2","44","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C24 H48 F8 I8 N4 Pb2 -","2","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.2239","0.1715","","","0.4511","0.4769","","","","","","1.585","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134991","8.7688","0.0004","19.8584","0.0009","8.1528","0.0003","90","","90","","90","","1419.68","0.11","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H13 F I3 N Pb -","- C6 H13 F I3 N Pb -","- C24 H52 F4 I12 N4 Pb4 -","4","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0458","0.0361","","","0.0995","0.1046","","","","","","1.056","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134992","8.5418","0.0006","26.836","0.002","10.0432","0.0006","90","","90","","90","","2302.2","0.3","343","2","343","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C48 H96 F16 I16 N8 Pb4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0842","0.0706","","","0.2083","0.2233","","","","","","1.065","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134993","13.835","0.0014","9.9882","0.0007","8.5383","0.0008","90","","104.737","0.011","90","","1141.07","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C24 H48 F8 I8 N4 Pb2 -","2","1","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0934","0.0721","","","0.1923","0.2031","","","","","","1.095","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134994","10.9328","0.0006","8.215","0.0005","10.4944","0.0005","90","","90","","90","","942.53","0.09","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C6 H12 F I N -","- C6 H12 F I N -","- C24 H48 F4 I4 N4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0531","0.0373","","","0.1216","0.1319","","","","","","1.117","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134995","10.3925","0.0008","8.0781","0.0006","23.3552","0.0019","90","","90","","90","","1960.7","0.3","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H12 F2 I N -","- C6 H12 F2 I N -","- C48 H96 F16 I8 N8 -","8","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0502","0.0355","","","0.0933","0.1017","","","","","","1.031","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134996","6.6369","0.0011","6.6369","0.0011","27.272","0.006","90","","90","","90","","1201.3","0.4","493","2","493","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C6 F2 I4 N Pb -","- C6 F2 I4 N Pb -","- C12 F4 I8 N2 Pb2 -","2","0.125","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.425","0.1909","","","0.4486","0.5254","","","","","","1.174","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134997","17.6169","0.0004","15.2269","0.0004","29.4261","0.0006","90","","102.281","0.001","90","","7712.9","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H96 O8 -","- C88 H96 O8 -","- C352 H384 O32 -","4","1","","Nogami, Juntaro; Tanaka, Yusuke; Sugiyama, Haruki; Uekusa, Hidehiro; Muranaka, Atsuya; Uchiyama, Masanobu; Tanaka, Ken","Enantioselective Synthesis of Planar Chiral Zigzag-Type Cyclophenylene Belts by Rhodium-Catalyzed Alkyne Cyclotrimerization.","Journal of the American Chemical Society","2020","142","21","9834","9842","10.1021/jacs.0c03684","","","1.54186","CuKα","","0.2105","0.1574","","","0.3985","0.4436","","","","","","1.34","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4135004","10.82397","0.00012","16.16979","0.00018","32.6888","0.0004","90","","96.6693","0.0011","90","","5682.52","0.11","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H80 B2 Li2 O9 -","- C64 H80 B2 Li2 O9 -","- C256 H320 B8 Li8 O36 -","4","1","","Sato, Yukiya; Nakamura, Kei; Sumida, Yuto; Hashizume, Daisuke; Hosoya, Takamitsu; Ohmiya, Hirohisa","Generation of Alkyl Radical through Direct Excitation of Boracene-Based Alkylborate.","Journal of the American Chemical Society","2020","142","22","9938","9943","10.1021/jacs.0c04456","","","0.71073","MoKα","","0.057","0.0456","","","0.1082","0.1152","","","","","","1.029","","","","has coordinates,has disorder","301835","2025-08-20","18:54:31",""
"4135005","13.1945","0.0013","10.7243","0.0011","15.7972","0.0014","90","","92.336","0.004","90","","2233.5","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B10 -","- C20 H28 B10 -","- C80 H112 B40 -","4","1","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.1228","0.0921","","","0.1694","0.1823","","","","","","1.182","","","","has coordinates","257114","2020-10-21","18:00:00",""
"4135006","12.9222","0.0006","10.4623","0.0005","13.8208","0.0007","90","","94.9914","0.0016","90","","1861.43","0.16","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 B10 -","- C14 H24 B10 -","- C56 H96 B40 -","4","1","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.0928","0.0707","","","0.1694","0.1931","","","","","","1.123","","","","has coordinates,has disorder","257114","2020-10-21","18:00:00",""
"4135007","20.027","0.003","12.0453","0.0016","18.935","0.003","90","","90","","90","","4567.7","1.2","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C144 H256 B80 -","8","2","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.0902","0.0728","","","0.1547","0.1658","","","","","","1.116","","","","has coordinates,has disorder","257114","2020-10-21","18:00:00",""
"4135008","10.3192","0.0004","13.6281","0.0006","25.6934","0.0014","90","","90","","90","","3613.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H34 N10 O10 -","- C39 H34 N10 O10 -","- C156 H136 N40 O40 -","4","1","","Shen, Jie; Ye, Ruijuan; Romanies, Alyssa; Roy, Arundhati; Chen, Feng; Ren, Changliang; Liu, Zhiwei; Zeng, Huaqiang","Aquafoldmer-Based Aquaporin-like Synthetic Water Channel.","Journal of the American Chemical Society","2020","142","22","10050","10058","10.1021/jacs.0c02013","","","0.71073","MoKα","","0.1397","0.0706","","","0.1228","0.153","","","","","","1.065","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4135012","9.3332","0.0014","12.1683","0.0018","14.396","0.002","90","","90","","90","","1634.9","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Br2 N2 Ni O2 -","- C12 H18 Br2 N2 Ni O2 -","- C48 H72 Br8 N8 Ni4 O8 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.0418","0.0319","","","0.0619","0.0643","","","","","","0.965","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135013","14.2816","0.0013","14.9089","0.0012","26.853","0.002","90","","90","","90","","5717.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C61 H45 Cl9 O2 -","- C61 H45 Cl9 O2 -","- C244 H180 Cl36 O8 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.1534","0.0803","","","0.2087","0.2688","","","","","","1.008","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4135014","6.349","0.0003","8.618","0.0004","13.1236","0.0006","90","","103.89","0.001","90","","697.07","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C34 H32 N4 O2 -","2","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","1.54178","CuKα","","0.029","0.0287","","","0.0733","0.0738","","","","","","1.036","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4135015","6.7225","0.0001","8.4948","0.0002","29.8034","0.0005","90","","90","","90","","1701.96","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","1.54178","CuKα","","0.062","0.0597","","","0.1563","0.1608","","","","","","1.047","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4135016","10.9629","0.0005","9.5777","0.0004","17.0234","0.0008","90","","108.478","0.001","90","","1695.3","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl4 N4 Ni2 O2 -","- C34 H31 Cl4 N4 Ni2 O2 -","- C68 H62 Cl8 N8 Ni4 O4 -","2","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.0311","0.0264","","","0.0585","0.0609","","","","","","1.042","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135017","11.0227","0.0003","18.3233","0.0005","12.8616","0.0003","90","","107.871","0.001","90","","2472.35","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H80 I2 Si12 -","- C32 H80 I2 Si12 -","- C64 H160 I4 Si24 -","2","0.5","","Nukazawa, Takumi; Iwamoto, Takeaki","An Isolable Tetrasilicon Analogue of a Planar Bicyclo[1.1.0]butane with π-Type Single-Bonding Character.","Journal of the American Chemical Society","2020","142","22","9920","9924","10.1021/jacs.0c03874","","","0.71073","MoKα","","0.0318","0.0235","","","0.0488","0.0523","","","","","","1.026","","","","has coordinates","257113","2020-10-21","18:00:00",""
"4135018","11.6852","0.0003","14.2348","0.0004","17.0541","0.0005","68.082","0.001","78.177","0.001","76.52","0.001","2537.24","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 I2 Si12 -","- C32 H80 I2 Si12 -","- C64 H160 I4 Si24 -","2","1","","Nukazawa, Takumi; Iwamoto, Takeaki","An Isolable Tetrasilicon Analogue of a Planar Bicyclo[1.1.0]butane with π-Type Single-Bonding Character.","Journal of the American Chemical Society","2020","142","22","9920","9924","10.1021/jacs.0c03874","","","0.71073","MoKα","","0.0464","0.0313","","","0.0618","0.0687","","","","","","1.013","","","","has coordinates","257113","2020-10-21","18:00:00",""
"4135019","13.4699","0.0005","13.6164","0.0006","20.1702","0.0009","90","","90","","90","","3699.4","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H32 Cl2 O4 -","- C51 H32 Cl2 O4 -","- C204 H128 Cl8 O16 -","4","1","","Yubuta, Ayaka; Hosokawa, Tomoka; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki; Tsurusaki, Akihiro; Kamikawa, Ken","Enantioselective Synthesis of Triple Helicenes by Cross-Cyclotrimerization of a Helicenyl Aryne and Alkynes via Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2020","142","22","10025","10033","10.1021/jacs.0c01723","","","0.71075","MoKα","","0.0581","0.0561","","","0.1554","0.158","","","","","","1.025","","","","has coordinates","257109","2020-10-21","18:00:00",""
"4135061","10.3008","0.0008","10.3151","0.0009","13.5595","0.0014","94.497","0.008","103.341","0.007","119.914","0.006","1182.7","0.2","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Ge N O2 -","- C29 H25 Ge N O2 -","- C58 H50 Ge2 N2 O4 -","2","1","","Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent","Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.","Journal of the American Chemical Society","2020","142","25","11153","11164","10.1021/jacs.0c03556","","","1.34143","GaKα","","0.0511","0.0461","","0.064","0.0569","0.0583","","","","","","1.0623","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135062","20.0288","0.0008","14.5601","0.0007","18.7951","0.0008","90","","115.273","0.002","90","","4956.4","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Ge N O3 -","- C30 H27 Ge N O3 -","- C240 H216 Ge8 N8 O24 -","8","2","","Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent","Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.","Journal of the American Chemical Society","2020","142","25","11153","11164","10.1021/jacs.0c03556","","x-ray","1.54178","CuKα","","0.0448","0.0391","","","0.0994","0.1034","","","","","","1.036","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135063","9.2732","0.0004","10.0269","0.0003","27.8796","0.001","90","","94.522","0.003","90","","2584.22","0.16","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 F3 Ge N O2 -","- C30 H24 F3 Ge N O2 -","- C120 H96 F12 Ge4 N4 O8 -","4","1","","Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent","Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.","Journal of the American Chemical Society","2020","142","25","11153","11164","10.1021/jacs.0c03556","","","1.34143","GaKα","","0.073","0.0646","","0.0845","0.0782","0.0764","","","","","","1.0273","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135064","18.0288","0.0015","18.508","0.0014","22.4157","0.0015","113.701","0.007","90.846","0.007","114.996","0.008","6051.7","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Cl N2 Ni -","- C30 H28 Cl N2 Ni -","- C240 H224 Cl8 N16 Ni8 -","8","4","","Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben","Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers.","Journal of the American Chemical Society","2020","142","25","10936","10941","10.1021/jacs.0c04695","","","0.71073","MoKα","","0.0799","0.0452","","","0.1058","0.1163","","","","","","0.986","","","","has coordinates","253725","2020-10-21","18:00:00",""
"4135065","9.8891","0.0016","21.524","0.003","14.62","0.002","90","","103.029","0.005","90","","3031.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl N2 Ni -","- C36 H40 Cl N2 Ni -","- C144 H160 Cl4 N8 Ni4 -","4","1","","Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben","Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers.","Journal of the American Chemical Society","2020","142","25","10936","10941","10.1021/jacs.0c04695","","","0.71073","MoKα","","0.0935","0.0526","","","0.1148","0.1306","","","","","","1.032","","","","has coordinates","253725","2020-10-21","18:00:00",""
"4135066","11.0083","0.0006","32.4592","0.0017","8.8043","0.0005","90","","90.9405","0.0018","90","","3145.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 N2 Ni O0.5 -","- C37 H44 N2 Ni O0.5 -","- C148 H176 N8 Ni4 O2 -","4","1","","Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben","Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers.","Journal of the American Chemical Society","2020","142","25","10936","10941","10.1021/jacs.0c04695","","","0.71073","MoKα","","0.0821","0.0521","","","0.109","0.1217","","","","","","1.055","","","","has coordinates,has disorder","253725","2020-10-21","18:00:00",""
"4135076","16.755","0.003","16.845","0.003","18.531","0.004","103.56","0.03","110.52","0.03","107.89","0.03","4304","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C152 H146 Au12 Cl4 N6 O2 P12 S4 -","- C152 H146 Au12 Cl4 N6 O2 P12 S4 -","- C152 H146 Au12 Cl4 N6 O2 P12 S4 -","1","0.5","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82653","synchrotron","","0.0602","0.0599","","","0.1716","0.1721","","","","","","1.029","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135077","16.927","0.003","11.43","0.002","32.513","0.007","90","","99.02","0.03","90","","6213","2","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C104 H100 Au10 Cl10 N4 P8 S4 -","- C104 H100 Au10 Cl10 N4 P8 S4 -","- C208 H200 Au20 Cl20 N8 P16 S8 -","2","0.5","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82653","synchrotron","","0.0617","0.0585","","","0.1748","0.1799","","","","","","1.06","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135078","32.431","0.005","32.431","0.005","24.806","0.005","90","","90","","90","","26090","8","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C104 H100 Au10 Cl2 N4 P8 S4 -","- C104 H100 Au10 Cl2 N4 P8 S4 -","- C832 H800 Au80 Cl16 N32 P64 S32 -","8","1","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82657","synchrotron","","0.0703","0.0699","","","0.1844","0.185","","","","","","1.029","","","","has coordinates,has disorder","253724","2020-10-21","18:00:00",""
"4135079","16.539","0.003","33.236","0.007","14.185","0.003","90","","105.86","0.03","90","","7501","3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C146 H134 Au12 Cl4 N6 O2 P12 S4 -","- C146 H134 Au12 Cl4 N6 O2 P12 S4 -","- C292 H268 Au24 Cl8 N12 O4 P24 S8 -","2","0.5","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.71073","synchrotron","","0.078","0.0779","","","0.1857","0.1859","","","","","","1.194","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135114","21.6885","0.0016","13.647","0.004","12.5084","0.0011","90","","90","","90","","3702.3","1.2","150","","150","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- C18 Br6 -","- C18 Br6 -","- C144 Br48 -","8","0.5","","Scriven, Lorel M.; Kaiser, Katharina; Schulz, Fabian; Sterling, Alistair J.; Woltering, Steffen L.; Gawel, Przemyslaw; Christensen, Kirsten E.; Anderson, Harry L.; Gross, Leo","Synthesis of Cyclo[18]carbon via Debromination of C<sub>18</sub>Br<sub>6</sub>.","Journal of the American Chemical Society","2020","142","30","12921","12924","10.1021/jacs.0c05033","","","1.54184","CuKα","","0.2032","0.1297","","0.372","0.2958","0.372","","","","","","0.9687","","","","has coordinates","257120","2020-10-21","18:00:00",""
"4135116","10.626","0.011","19.78","0.02","12.823","0.014","90","","99.803","0.011","90","","2656","5","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C56 H58 O18 -","- C56 H58 O18 -","- C112 H116 O36 -","2","1","","Fujino, Haruka; Fukuda, Takumi; Nagatomo, Masanori; Inoue, Masayuki","Convergent Total Synthesis of Hikizimycin Enabled by Intermolecular Radical Addition to Aldehyde.","Journal of the American Chemical Society","2020","142","30","13227","13234","10.1021/jacs.0c06354","","","0.71075","MoKα","","0.0927","0.0764","","","0.15","0.1639","","","","","","1.06","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135117","9.4563","0.0004","10.1865","0.0005","17.3631","0.0008","98.128","0.002","93.544","0.002","102.231","0.002","1610.85","0.13","125","2","125","2","","","","","","","","5","P -1","-P 1","2","tBuXphosAuC6H3F2","","","- C35 H48 Au F2 P -","- C35 H48 Au F2 P -","- C70 H96 Au2 F4 P2 -","2","1","","Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.","Gold Catalyzed Decarboxylative Cross-Coupling of Iodoarenes.","Journal of the American Chemical Society","2020","142","30","13210","13218","10.1021/jacs.0c06244","","","0.71073","MoKα","","0.03","0.0245","","","0.0544","0.0567","","","","","","1.043","","","","has coordinates","257118","2020-10-21","18:00:00",""
"4135154","12.3534","0.0002","16.8232","0.0003","16.9837","0.0003","90","","96.717","0.001","90","","3505.39","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 B Cl2 F10 N2 O -","- C38 H33 B Cl2 F10 N2 O -","- C152 H132 B4 Cl8 F40 N8 O4 -","4","1","","Vidal, Fernando; McQuade, James; Lalancette, Roger; Jäkle, Frieder","ROMP-Boranes as Moisture-Tolerant and Recyclable Lewis Acid Organocatalysts.","Journal of the American Chemical Society","2020","142","34","14427","14431","10.1021/jacs.0c05454","","","1.54178","CuKα","","0.0864","0.0601","","","0.1285","0.1437","","","","","","1.027","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135202","40.5456","0.0007","40.546","","19.6333","0.0004","90","","90","","120","","27952.2","0.7","100","2","99.98","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C96 H52 O36 Zr6 -","- C96 H52 O36 Zr6 -","- C288 H156 O108 Zr18 -","3","0.125","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0612","0.0477","","","0.1471","0.1547","","","","","","1.079","","","","has coordinates","255870","2020-10-21","18:00:00",""
"4135203","41.321","0.004","41.321","","19.208","0.002","90","","90","","120","","28402","4","293","2","293.38","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C14.25 H10 F1.5 O4.5 Zr0.75 -","- C13.75 H8.5 O4.5 Zr0.75 -","- C330 H204 O108 Zr18 -","24","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0854","0.0589","","","0.1622","0.1712","","","","","","1.107","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4135204","40.8928","0.0008","40.893","","19.2023","0.0004","90","","90","","120","","27808.6","0.8","100","2","99.99","","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C14.65 H8.2 Cl0 N0.45 O4.75 Ru0.12 Zr0.75 -","- C14.9 H8 N0.45 O4.75 Ru0.125 Zr0.75 -","- C357.6 H192 N10.8 O114 Ru3 Zr18 -","24","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.1354","0.1002","","","0.3012","0.3272","","","","","","1.108","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4135205","14.4913","0.0004","18.099","0.0005","25.5467","0.0007","90","","90","","90","","6700.3","0.3","100","2","100","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C32 H28 N6 O7 Ru -","- C32 H22 N6 O7 Ru -","- C256 H176 N48 O56 Ru8 -","8","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0651","0.0632","","","0.1853","0.1865","","","","","","1.185","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4135206","12.6771","0.0015","5.6603","0.0007","13.2825","0.0015","90","","112.322","0.0018","90","","881.68","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H15 Br F2 N4 O2 -","- C18 H15 Br F2 N4 O2 -","- C36 H30 Br2 F4 N8 O4 -","2","1","","Levin, Mark D.; Ovian, John M.; Read, Jacquelyne A.; Sigman, Matthew S.; Jacobsen, Eric N.","Catalytic Enantioselective Synthesis of Difluorinated Alkyl Bromides.","Journal of the American Chemical Society","2020","142","35","14831","14837","10.1021/jacs.0c07043","","","0.71073","MoKα","","0.0683","0.0505","","","0.1106","0.1193","","","","","","1.026","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135223","6.7374","0.0006","13.1786","0.0013","14.477","0.0012","75.796","0.004","82.956","0.004","78.182","0.004","1216.14","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwjcop1","","","- C51 H58 B2 Cl2 F4 N6 Pd2 -","- C51 H58 B2 Cl2 F4 N6 Pd2 -","- C51 H58 B2 Cl2 F4 N6 Pd2 -","1","0.5","","Morstein, Johannes; Höfler, Denis; Ueno, Kohei; Jurss, Jonah W.; Walvoord, Ryan R.; Bruemmer, Kevin J.; Rezgui, Samir P.; Brewer, Thomas F.; Saitoe, Minoru; Michel, Brian W.; Chang, Christopher J.","Ligand-Directed Approach to Activity-Based Sensing: Developing Palladacycle Fluorescent Probes That Enable Endogenous Carbon Monoxide Detection.","Journal of the American Chemical Society","2020","142","37","15917","15930","10.1021/jacs.0c06405","","","0.71073","MoKα","","0.0379","0.0312","","","0.0622","0.0656","","","","","","1.036","","","","has coordinates,has disorder","257116","2020-10-21","18:00:00",""
"4135224","17.1369","0.0008","12.7322","0.0006","12.0144","0.0005","90","","103.187","0.002","90","","2552.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cop1_py","","","- C27 H30 B Cl F2 N4 Pd -","- C27 H30 B Cl F2 N4 Pd -","- C108 H120 B4 Cl4 F8 N16 Pd4 -","4","1","","Morstein, Johannes; Höfler, Denis; Ueno, Kohei; Jurss, Jonah W.; Walvoord, Ryan R.; Bruemmer, Kevin J.; Rezgui, Samir P.; Brewer, Thomas F.; Saitoe, Minoru; Michel, Brian W.; Chang, Christopher J.","Ligand-Directed Approach to Activity-Based Sensing: Developing Palladacycle Fluorescent Probes That Enable Endogenous Carbon Monoxide Detection.","Journal of the American Chemical Society","2020","142","37","15917","15930","10.1021/jacs.0c06405","","","0.71073","MoKα","","0.0215","0.0205","","","0.056","0.0567","","","","","","1.06","","","","has coordinates","257116","2020-10-21","18:00:00",""
"4135225","6.815","","7.825","","20.231","0.001","98.326","0.002","91.92","0.002","100.133","0.002","1048.92","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","rxnCOP1","","","- C23 H26 B F2 N3 O2 -","- C23 H26 B F2 N3 O2 -","- C46 H52 B2 F4 N6 O4 -","2","1","","Morstein, Johannes; Höfler, Denis; Ueno, Kohei; Jurss, Jonah W.; Walvoord, Ryan R.; Bruemmer, Kevin J.; Rezgui, Samir P.; Brewer, Thomas F.; Saitoe, Minoru; Michel, Brian W.; Chang, Christopher J.","Ligand-Directed Approach to Activity-Based Sensing: Developing Palladacycle Fluorescent Probes That Enable Endogenous Carbon Monoxide Detection.","Journal of the American Chemical Society","2020","142","37","15917","15930","10.1021/jacs.0c06405","","","0.71073","MoKα","","0.0453","0.038","","","0.0928","0.0984","","","","","","1.03","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135236","16.0766","0.0006","8.861","0.0003","10.0045","0.0004","90","","90","","90","","1425.19","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0203","0.0187","","","0.0459","0.0463","","","","","","0.98","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135237","16.8492","0.0009","8.7623","0.0004","19.0314","0.001","90","","100.588","0.005","90","","2761.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.7107","MoKα","","0.059","0.0442","","","0.1171","0.1257","","","","","","1.041","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135238","9.3491","0.0004","9.3991","0.0004","18.1237","0.0008","90","","96.9317","0.0012","90","","1580.95","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0594","0.0467","","","0.121","0.1288","","","","","","1.03","","","","has coordinates,has disorder","301835","2025-08-20","18:54:32",""
"4135239","10.7611","0.0015","8.0387","0.0006","26.664","0.003","90","","92.145","0.004","90","","2305","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Br N2 Ni -","- C26 H31 Br N2 Ni -","- C104 H124 Br4 N8 Ni4 -","4","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0603","0.0344","","","0.0639","0.0707","","","","","","1.023","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135240","13.8725","0.0009","12.4952","0.0007","15.8443","0.0009","90","","90","","90","","2746.4","0.3","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H40 Br4 Cl4 F12 N8 Ni2 -","- C50 H40 Br4 Cl4 F12 N8 Ni2 -","- C100 H80 Br8 Cl8 F24 N16 Ni4 -","2","0.25","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0686","0.0626","","","0.1515","0.1538","","","","","","1.203","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135241","8.656","0.0008","11.3735","0.0008","27.925","0.002","90","","90","","90","","2749.2","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0834","0.0607","","","0.1564","0.1745","","","","","","1.03","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135248","32.3336","0.001","33.9663","0.0008","51.4808","0.0015","90","","90","","90","","56539","3","209","100","209","100","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- C216 H200 N24 -","- C216 H200 N24 -","- C1728 H1600 N192 -","8","0.5","","Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu","Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.","Journal of the American Chemical Society","2020","142","38","16223","16228","10.1021/jacs.0c08243","","x-ray","1.54184","CuKα","","0.0973","0.0421","","","0.1162","0.1419","","","","","","0.881","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135249","32.3016","0.001","34.0393","0.0011","50.8944","0.0014","90","","90","","90","","55960","3","295","1","295","1","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- C216 H200 N24 -","- C216 H200 N24 -","- C1728 H1600 N192 -","8","0.5","","Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu","Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.","Journal of the American Chemical Society","2020","142","38","16223","16228","10.1021/jacs.0c08243","","x-ray","1.54184","CuKα","","0.0596","0.0426","","","0.1238","0.1368","","","","","","0.975","","","","has coordinates","257122","2020-10-21","18:00:00",""
"4135250","10.5727","0.0002","9.663","0.0002","38.7804","0.0006","90","","91.267","0.002","90","","3960.99","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H25 N O5 -","- C39 H25 N O5 -","- C156 H100 N4 O20 -","4","1","","Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu","Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.","Journal of the American Chemical Society","2020","142","38","16223","16228","10.1021/jacs.0c08243","","x-ray","1.54184","CuKα","","0.0902","0.0854","","","0.2274","0.2316","","","","","","1.072","","","","has coordinates,has disorder","301835","2025-08-20","18:54:32",""
"4135252","9.3543","0.0002","9.4109","0.0002","11.0915","0.0003","88.4588","0.0014","70.3721","0.0013","70.9637","0.0013","865.63","0.04","100","","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 B Br O2 -","- C16 H28 B Br O2 -","- C32 H56 B2 Br2 O4 -","2","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0246","0.0216","","","0.0526","0.0538","","","","","","1.039","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135253","38.7408","0.0009","6.1921","0.0001","17.4843","0.0004","90","","98.748","0.001","90","","4145.46","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H33 B O3 -","- C23 H33 B O3 -","- C184 H264 B8 O24 -","8","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0482","0.0397","","","0.094","0.0992","","","","","","1.021","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135254","14.1029","0.0005","11.3545","0.0004","13.1218","0.0005","90","","98.427","0.003","90","","2078.53","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 B O4 -","- C22 H33 B O4 -","- C88 H132 B4 O16 -","4","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0719","0.0499","","","0.146","0.1631","","","","","","1.071","","","","has coordinates,has disorder","301835","2025-08-20","18:54:32",""
"4135255","6.2461","0.0002","6.9103","0.0002","22.7041","0.0006","90","","94.1036","0.0016","90","","977.45","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O S -","- C11 H12 O S -","- C44 H48 O4 S4 -","4","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0341","0.0305","","","0.0816","0.0839","","","","","","1.05","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135256","6.6532","0.0002","19.3711","0.0006","28.5231","0.0009","102.053","0.002","91.973","0.002","90.586","0.002","3592.31","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H29 B O4 -","- C17 H29 B O4 -","- C136 H232 B8 O32 -","8","4","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0834","0.0589","","","0.1519","0.1657","","","","","","1.024","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135257","10.0127","0.0003","11.0765","0.0004","10.3165","0.0004","90","","91.013","0.002","90","","1143.98","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 B O3 -","- C26 H33 B O3 -","- C52 H66 B2 O6 -","2","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0528","0.0417","","","0.0813","0.0868","","","","","","1.015","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135269","24.146","0.001","9.8138","0.0004","7.8489","0.0003","90","","91.965","0.004","90","","1858.81","0.13","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C14 H20 Cl2 Fe I N Pb -","- C14 H20 Cl2 Fe I N Pb -","- C56 H80 Cl8 Fe4 I4 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0441","0.0357","","","0.1007","0.1035","","","","","","1.102","","","","has coordinates","258709","2020-11-04","01:23:00",""
"4135270","25.8959","0.0016","10.0928","0.0005","7.944","0.0004","90","","93.798","0.005","90","","2071.7","0.19","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H20 Fe I3 N Pb -","- C14 H20 Fe I3 N Pb -","- C56 H80 Fe4 I12 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0637","0.0611","","","0.1742","0.1764","","","","","","1.099","","","","has coordinates","258709","2020-11-04","01:23:01",""
"4135271","25.248","0.003","10.0268","0.0007","7.9347","0.0007","90","","92.55","0.009","90","","2006.7","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C14 H20 Br2 Fe I N Pb -","- C14 H20 Br2 Fe I N Pb -","- C56 H80 Br8 Fe4 I4 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0499","0.0468","","","0.1324","0.1341","","","","","","1.128","","","","has coordinates","258709","2020-11-04","01:23:01",""
"4135272","11.9642","0.0002","26.3927","0.0004","21.6924","0.0003","90","","90.1923","0.0007","90","","6849.72","0.18","170","2","170.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71.5 H73.5 Cl4.5 N2 O8 -","- C71.5 H73.5 Cl4.5 N2 O8 -","- C286 H294 Cl18 N8 O32 -","4","2","","Zhu, Huangtianzhi; Li, Qi; Shi, Bingbing; Xing, Hao; Sun, Yan; Lu, Shuai; Shangguan, Liqing; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Formation of Planar Chiral Platinum Triangles via Pillar[5]arene for Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","142","41","17340","17345","10.1021/jacs.0c09598","","","1.34139","GaKα","","0.0713","0.0634","","","0.1692","0.1764","","","","","","1.039","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135273","11.9689","0.0002","26.3969","0.0005","21.6869","0.0004","90","","90.193","0.001","90","","6851.8","0.2","170","2","170.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71.5 H73.5 Cl4.5 N2 O8 -","- C71.5 H73.5 Cl4.5 N2 O8 -","- C286 H294 Cl18 N8 O32 -","4","2","","Zhu, Huangtianzhi; Li, Qi; Shi, Bingbing; Xing, Hao; Sun, Yan; Lu, Shuai; Shangguan, Liqing; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Formation of Planar Chiral Platinum Triangles via Pillar[5]arene for Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","142","41","17340","17345","10.1021/jacs.0c09598","","","1.34139","GaKα","","0.0737","0.0686","","","0.1877","0.1921","","","","","","1.027","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135274","11.0288","0.0002","14.2907","0.0003","14.774","0.0003","70.148","0.001","70.769","0.001","84.111","0.001","2067.82","0.07","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C53 H33 Cl3 N4 O -","- C53 H33 Cl3 N4 O -","- C106 H66 Cl6 N8 O2 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","1.54178","CuKα","","0.0743","0.0578","","","0.143","0.1605","","","","","","1.005","","","","has coordinates,has disorder","301835","2025-08-20","18:54:32",""
"4135275","10.7802","0.0004","16.7891","0.0006","23.3522","0.0009","88.514","0.001","81.094","0.001","73.999","0.001","4013.2","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H34 Cl2 N4 O -","- C53 H34 Cl2 N4 O -","- C212 H136 Cl8 N16 O4 -","4","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.155","0.1076","","","0.2889","0.3298","","","","","","1.022","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135276","9.2451","0.0007","20.9753","0.0016","37.803","0.003","90","","90","","90","","7330.7","1","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52 H32 N4 S -","- C52 H32 N4 S -","- C416 H256 N32 S8 -","8","1","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.1346","0.0627","","","0.1263","0.1601","","","","","","0.996","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135277","10.9982","0.0009","16.8852","0.0014","23.75","0.002","88.085","0.003","79.744","0.003","73.887","0.002","4169","0.6","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C105 H65 Cl3 N8 S2 -","- C105 H65 Cl3 N8 S2 -","- C210 H130 Cl6 N16 S4 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.157","0.0904","","","0.2195","0.2716","","","","","","1.017","","","","has coordinates,has disorder","258707","2020-11-04","01:22:28",""
"4135278","10.7744","0.0011","13.9056","0.0015","15.4119","0.0015","109.438","0.003","107.172","0.003","93.623","0.003","2046.7","0.4","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C53 H34 Cl2 N4 S -","- C53 H34 Cl2 N4 S -","- C106 H68 Cl4 N8 S2 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.169","0.0927","","","0.2361","0.3014","","","","","","1.015","","","","has coordinates,has disorder","301835","2025-08-20","18:54:32",""
"4135279","10.8332","0.0004","15.6637","0.0006","43.2298","0.0016","90","","92.527","0.002","90","","7328.4","0.5","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H32 N4 O -","- C52 H32 N4 O -","- C416 H256 N32 O8 -","8","4","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","1.54178","CuKα","","0.0982","0.0945","","","0.2557","0.2579","","","","","","1.074","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135280","8.9752","0.0003","12.9775","0.0004","14.8463","0.0005","71.874","0.001","85.865","0.001","84.038","0.001","1633.08","0.09","170","2","170","","","","","","","","","6","P 1","P 1","1","","","","- C34.5 H29 Cl F6 N2 O3 -","- C34.5 H29 Cl F6 N2 O3 -","- C69 H58 Cl2 F12 N4 O6 -","2","2","","Yao, Qi-Jun; Xie, Pei-Pei; Wu, Yong-Jie; Feng, Ya-Lan; Teng, Ming-Ya; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomeric Anilides via Pd(II)-Catalyzed Asymmetric C-H Olefination.","Journal of the American Chemical Society","2020","142","42","18266","18276","10.1021/jacs.0c09400","","","1.54178","CuKα","","0.0555","0.0551","","","0.1508","0.1514","","","","","","1.018","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135281","7.7185","0.0002","19.1801","0.0006","8.914","0.0003","90","","97.217","0.001","90","","1309.19","0.07","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H26 N2 O5 -","- C31 H26 N2 O5 -","- C62 H52 N4 O10 -","2","1","","Yao, Qi-Jun; Xie, Pei-Pei; Wu, Yong-Jie; Feng, Ya-Lan; Teng, Ming-Ya; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomeric Anilides via Pd(II)-Catalyzed Asymmetric C-H Olefination.","Journal of the American Chemical Society","2020","142","42","18266","18276","10.1021/jacs.0c09400","","","1.54178","CuKα","","0.0287","0.0287","","","0.0731","0.0732","","","","","","1.064","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135283","7.818","0.0007","10.0517","0.0009","13.0676","0.0011","95.658","0.002","91.485","0.002","94.652","0.002","1017.94","0.15","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 B10 -","- C17 H24 B10 -","- C34 H48 B20 -","2","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1212","0.0809","","","0.2417","0.2847","","","","","","1.035","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135284","11.0304","0.0013","9.9701","0.0012","15.231","0.0017","90","","107.563","0.008","90","","1596.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 B10 -","- C11 H18 B10 -","- C44 H72 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1292","0.066","","","0.1595","0.198","","","","","","1.01","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135285","10.5403","0.0005","14.201","0.0005","15.1636","0.0006","65.4693","0.0019","75.0948","0.0019","71.5823","0.0019","1938.09","0.14","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H26 B10 -","- C15 H26 B10 -","- C60 H104 B40 -","4","2","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1255","0.0832","","","0.25","0.2931","","","","","","1.028","","","","has coordinates,has disorder","258711","2020-11-04","01:24:27",""
"4135286","16.7399","0.0007","12.5493","0.0005","22.3515","0.0011","90","","90","","90","","4695.5","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H34 B10 -","- C19 H34 B10 -","- C152 H272 B80 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1748","0.0936","","","0.246","0.2951","","","","","","1.023","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135287","15.046","0.0003","7.8624","0.0002","15.3076","0.0003","90","","95.3224","0.0012","90","","1803.05","0.07","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 B10 -","- C15 H20 B10 -","- C60 H80 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0593","0.0503","","","0.1416","0.1512","","","","","","1.072","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135288","26.7508","0.0014","8.5536","0.0004","25.4822","0.0012","90","","118.6","0.0015","90","","5119.3","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H37 B10 N O -","- C20 H37 B10 N O -","- C160 H296 B80 N8 O8 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1008","0.0601","","","0.136","0.157","","","","","","1.036","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135289","16.4151","0.0008","12.5821","0.0006","21.684","0.0012","90","","90","","90","","4478.5","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C144 H256 B80 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0996","0.0625","","","0.1652","0.1942","","","","","","1.024","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135290","30.0485","0.0014","10.8314","0.0005","23.7342","0.0011","90","","102.004","0.0015","90","","7555.8","0.6","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 B20 -","- C28 H50 B20 -","- C224 H400 B160 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1013","0.0657","","","0.1756","0.206","","","","","","1.031","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135291","15.086","0.0007","12.9393","0.0006","11.5931","0.0005","90","","102.262","0.0014","90","","2211.37","0.17","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C72 H128 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1014","0.0599","","","0.137","0.1618","","","","","","1.051","","","","has coordinates,has disorder","258711","2020-11-04","01:24:27",""
"4135292","14.3162","0.0005","7.2812","0.0003","19.0278","0.0007","90","","90","","90","","1983.44","0.13","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H26 B10 O -","- C15 H26 B10 O -","- C60 H104 B40 O4 -","4","0.5","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0656","0.0564","","","0.1589","0.1723","","","","","","1.06","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135293","7.0829","0.0002","24.8661","0.0007","10.414","0.0003","90","","130.943","0.0011","90","","1385.45","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 B20 -","- C16 H30 B20 -","- C32 H60 B40 -","2","0.5","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.077","0.0557","","","0.1557","0.1715","","","","","","1.056","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135300","8.0553","0.0005","10.2611","0.0006","10.6161","0.0007","90","","90","","90","","877.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-(S,S,S)-1-methyl-1-ethynyl-1- (5-methyl-tetrahydrofuran-2-yl)-methanol","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0521","0.0384","","","0.0918","0.0988","","","","","","1.037","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135301","13.8465","0.0006","6.4641","0.0003","11.3247","0.0005","90","","107.264","0.002","90","","967.95","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(trimethylsilyl)methyl-(5H)-furan-2-one","","- C8 H14 O2 Si -","- C8 H14 O2 Si -","- C32 H56 O8 Si4 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","1.54178","Cu-Kα","","0.0368","0.0322","","","0.0827","0.0863","","","","","","1.046","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135302","12.5303","0.0015","5.8923","0.0005","20.003","0.003","90","","91.647","0.01","90","","1476.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-spirocyclohexane-3(H)-4(phenylcarboxy)-5(methoxy)-furan","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","MoKα","","0.0583","0.0383","","","0.0892","0.0965","","","","","","1.039","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135303","19.802","0.003","16.26","0.002","23.261","0.002","90","","107.91","0.008","90","","7126.6","1.6","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(hapto-3-(1-(methoxycyclohexyl)-hex-5-ene-2-ylidenyl))- (hapto-5-pentamethylcyclopentadienyl)-chloro-ruthenium(ii)","","- C25 H41 Cl O Ru -","- C25 H41 Cl O Ru -","- C300 H492 Cl12 O12 Ru12 -","12","6","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","MoKα","","0.1196","0.0809","","","0.1991","0.2286","","","","","","1.061","","","","has coordinates,has disorder","258710","2020-11-04","01:23:34",""
"4135304","8.9181","0.0004","21.7716","0.0009","9.155","0.0004","90","","94.822","0.002","90","","1771.26","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rac-(S,S,R)-1-methyl-1-ethynyl-1- (5-methyl-tetrahydrofuran-2-yl)-methanol","","- C9 H14 O2 -","- C9 H14 O2 -","- C72 H112 O16 -","8","2","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0657","0.043","","","0.1111","0.1237","","","","","","1.034","","","","has coordinates,has disorder","301835","2025-08-20","18:54:32",""
"4135305","10.5379","0.0006","15.712","0.001","20.9915","0.0014","89.81","0.003","89.849","0.003","84.937","0.003","3462","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,2-di(triemthylsilyl)-3,4-di(3,3-dimethyl- prop-2-en-1-yl-carboxylato)-cyclobutadienyl- pentamethylcyclopentadienyl-chloro-ruthenium(II)","","- C32 H51 Cl O4 Ru Si2 -","- C32 H51 Cl O4 Ru Si2 -","- C128 H204 Cl4 O16 Ru4 Si8 -","4","2","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0792","0.046","","","0.1014","0.1147","","","","","","1.013","","","","has coordinates,has disorder","258710","2020-11-04","01:23:35",""
"4135332","39.5169","0.0007","11.9534","0.0002","12.6942","0.0002","90","","90","","90","","5996.25","0.17","170","2","169.97","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H33 N O4 S -","- C29 H33 N O4 S -","- C232 H264 N8 O32 S8 -","8","2","","Wang, Ye; Zhang, Wen-Yun; Xie, Jia-Hao; Yu, Zong-Lun; Tan, Jia-Hao; Zheng, Chao; Hou, Xue-Long; You, Shu-Li","Enantioselective Desymmetrization of Bisphenol Derivatives via Ir-Catalyzed Allylic Dearomatization.","Journal of the American Chemical Society","2020","142","45","19354","19359","10.1021/jacs.0c09638","","","1.34139","GaKα","","0.063","0.0488","","","0.1203","0.129","","","","","","1.043","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135333","27.8647","0.0009","8.5749","0.0003","12.588","0.0004","90","","94.3636","0.0013","90","","2999.02","0.17","296","2","296.15","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H38 O11 -","- C29 H38 O11 -","- C116 H152 O44 -","4","1","","Wang, Ye; Zhang, Wen-Yun; Xie, Jia-Hao; Yu, Zong-Lun; Tan, Jia-Hao; Zheng, Chao; Hou, Xue-Long; You, Shu-Li","Enantioselective Desymmetrization of Bisphenol Derivatives via Ir-Catalyzed Allylic Dearomatization.","Journal of the American Chemical Society","2020","142","45","19354","19359","10.1021/jacs.0c09638","","","1.54178","CuKα","","0.046","0.0442","","","0.1053","0.1065","","","","","","1.119","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135334","12.452","0.003","26.389","0.007","36.476","0.009","90","","90","","90","","11986","5","170.15","","170.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H62 Cl9 N3 O12 -","- C54 H62 Cl9 N3 O12 -","- C432 H496 Cl72 N24 O96 -","8","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.083","0.0675","","","0.1803","0.1952","","","","","","1.027","","","","has coordinates,has disorder","259515","2020-12-04","02:18:54",""
"4135335","11.1358","0.0019","11.707","0.0019","27.45","0.005","80.177","0.005","82.927","0.006","70.428","0.005","3314","1","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H82 Cl8 N4 O17 -","- C55 H82 Cl8 N4 O17 -","- C110 H164 Cl16 N8 O34 -","2","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.1333","0.0871","","","0.2195","0.2486","","","","","","1.028","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135336","20.2673","0.0006","12.7006","0.0004","20.9446","0.0006","90","","108.196","0.001","90","","5121.7","0.3","170","2","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H71 N3 O16 -","- C53 H71 N3 O16 -","- C212 H284 N12 O64 -","4","0.5","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.0763","0.0651","","","0.1792","0.1914","","","","","","1.032","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135337","12.0165","0.0005","18.208","0.0008","25.1259","0.0011","90","","90","","90","","5497.5","0.4","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H76 N4 O15 -","- C56 H76 N4 O15 -","- C224 H304 N16 O60 -","4","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","1.54178","CuKα","","0.0591","0.0564","","","0.1599","0.1631","","","","","","1.062","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135338","11.8167","0.0009","19.4344","0.0018","20.4342","0.0017","90","","95.609","0.003","90","","4670.3","0.7","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H60 Cl N3 O12 -","- C51 H60 Cl N3 O12 -","- C204 H240 Cl4 N12 O48 -","4","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.0805","0.064","","","0.1668","0.1826","","","","","","1.082","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135339","21.5851","0.0011","14.7231","0.0008","15.1871","0.0008","90","","94.212","0.002","90","","4813.4","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H112 O Si4 -","- C116 H128 O2 Si4 -","- C232 H256 O4 Si8 -","2","0.5","","Bergman, Harrison M.; Kiel, Gavin R.; Witzke, Ryan J.; Nenon, David P.; Schwartzberg, Adam M.; Liu, Yi; Tilley, T. Don","Shape-Selective Synthesis of Pentacene Macrocycles and the Effect of Geometry on Singlet Fission.","Journal of the American Chemical Society","2020","142","47","19850","19855","10.1021/jacs.0c09941","","x-ray","0.7288","synchrotron","","0.105","0.0899","","","0.2502","0.2642","","","","","","1.097","","","","has coordinates,has disorder","259516","2020-12-04","02:19:53",""
"4135340","21.0146","0.0009","17.8252","0.0008","16.958","0.0007","90","","90.02","0.002","90","","6352.3","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C156 H146 O4 Si4 -","- C156 H164 O4 Si4 -","- C312 H328 O8 Si8 -","2","0.5","","Bergman, Harrison M.; Kiel, Gavin R.; Witzke, Ryan J.; Nenon, David P.; Schwartzberg, Adam M.; Liu, Yi; Tilley, T. Don","Shape-Selective Synthesis of Pentacene Macrocycles and the Effect of Geometry on Singlet Fission.","Journal of the American Chemical Society","2020","142","47","19850","19855","10.1021/jacs.0c09941","","","0.7288","synchrotron","","0.084","0.0644","","","0.1551","0.1687","","","","","","1.038","","","","has coordinates,has disorder","259516","2020-12-04","02:19:54",""
"4135341","11.8612","0.0005","14.1474","0.0007","14.9784","0.0008","100.353","0.002","102.176","0.002","107.043","0.002","2269.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C106 H70 Cl18 -","- C106 H70 Cl18 -","- C106 H70 Cl18 -","1","0.5","","Bergman, Harrison M.; Kiel, Gavin R.; Witzke, Ryan J.; Nenon, David P.; Schwartzberg, Adam M.; Liu, Yi; Tilley, T. Don","Shape-Selective Synthesis of Pentacene Macrocycles and the Effect of Geometry on Singlet Fission.","Journal of the American Chemical Society","2020","142","47","19850","19855","10.1021/jacs.0c09941","","","0.7288","synchrotron","","0.1224","0.0892","","","0.2729","0.2902","","","","","","1.144","","","","has coordinates,has disorder","301835","2025-08-20","18:54:32",""
"4135342","26.7857","0.0015","12.5558","0.0007","25.1482","0.0014","90","","118.957","0.003","90","","7400.4","0.7","170","2","170.02","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C76 H95 O14 -","- C76 H95 O14 -","- C304 H380 O56 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1509","0.1408","","","0.3477","0.3525","","","","","","0.922","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135343","13.5823","0.0003","22.8453","0.0006","20.4508","0.0005","90","","100.373","0.001","90","","6242","0.3","170","2","170.02","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C67 H86 O12 -","- C67 H86 O12 -","- C268 H344 O48 -","4","1","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0608","0.0512","","","0.1311","0.1398","","","","","","1.022","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135344","14.1746","0.0004","16.4665","0.0006","19.6666","0.0006","79.172","0.002","77.599","0.002","72.479","0.002","4237.6","0.2","170","2","169.97","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H78 Br12 O13 -","- C71 H78 Br12 O13 -","- C142 H156 Br24 O26 -","2","1","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1333","0.1095","","","0.2601","0.2756","","","","","","0.925","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135345","28.6532","0.0017","12.3731","0.0008","44.242","0.003","90","","108.836","0.002","90","","14845.1","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C67 H76 Br10 O12 -","- C67 H76 Br10 O12 -","- C536 H608 Br80 O96 -","8","1","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.54178","CuKα","","0.2183","0.1619","","","0.3888","0.4225","","","","","","1.563","","","","has coordinates","259514","2020-12-04","02:18:29",""
"4135346","12.8203","0.0003","12.9026","0.0003","12.9306","0.0003","61.278","0.001","73.375","0.001","78.559","0.001","1792.62","0.07","170","2","169.99","","","","","","","","","3","P -1","-P 1","2","","","","- C78 H100 O14 -","- C78 H100 O14 -","- C78 H100 O14 -","1","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0578","0.0543","","","0.147","0.1518","","","","","","1.037","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135347","13.8496","0.0002","23.998","0.0003","25.2072","0.0003","90","","90","","90","","8377.93","0.19","170","2","169.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C78 H88 Br12 O14 -","- C78 H88 Br12 O14 -","- C312 H352 Br48 O56 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0421","0.0391","","","0.1017","0.1041","","","","","","1.037","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135348","24.4691","0.0009","20.7774","0.0008","12.8545","0.0005","90","","90","","90","","6535.3","0.4","170","2","169.98","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C60 H66 Br10 O11 -","- C60 H66 Br10 O11 -","- C240 H264 Br40 O44 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1304","0.0982","","","0.2904","0.3197","","","","","","1.173","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135349","13.167","0.003","14.706","0.004","30.336","0.007","87.834","0.008","86.789","0.008","85.765","0.009","5845","2","170","2","170.15","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H76 O11 -","- C60 H76 O11 -","- C240 H304 O44 -","4","2","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.204","0.1337","","","0.3072","0.3712","","","","","","0.788","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135350","8.8938","0.0003","5.9958","0.0002","9.519","0.0003","90","","94.883","0.001","90","","505.76","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 Br N -","- C11 H14 Br N -","- C22 H28 Br2 N2 -","2","1","","Yan, Xingchen; Ge, Luo; Castiñeira Reis, Marta; Harutyunyan, Syuzanna R.","Nucleophilic Dearomatization of N-Heteroaromatics Enabled by Lewis Acids and Copper Catalysis.","Journal of the American Chemical Society","2020","142","47","20247","20256","10.1021/jacs.0c09974","","","1.54178","CuKα","","0.0176","0.0174","","","0.042","0.0421","","","","","","1.076","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135351","11.3762","0.0003","12.0964","0.0003","18.5162","0.0005","98.867","0.001","102.089","0.001","113.854","0.001","2195.93","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H68 O3 Si3 Ti3 -","- C39 H68 O3 Si3 Ti3 -","- C78 H136 O6 Si6 Ti6 -","2","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0589","0.0472","","","0.1187","0.1254","","","","","","1.029","","","","has coordinates","259519","2020-12-04","02:20:46",""
"4135352","10.0717","0.0017","11.556","0.002","12.004","0.002","61.262","0.006","73.979","0.006","81.524","0.006","1177.3","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","1","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0465","0.0385","","","0.0925","0.0966","","","","","","1.006","","","","has coordinates","259519","2020-12-04","02:20:46",""
"4135353","8.7584","0.0015","14.858","0.002","20.54","0.004","70.651","0.005","86.515","0.006","78.122","0.006","2467.9","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H73 N O5 Si3 Ti3 -","- C46 H73 N O5 Si3 Ti3 -","- C92 H146 N2 O10 Si6 Ti6 -","2","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.14","0.0608","","","0.1069","0.1305","","","","","","1.003","","","","has coordinates","302047","2025-09-07","14:15:44",""
"4135354","20.8973","0.0011","11.6751","0.0006","19.2927","0.0011","90","","90","","90","","4707","0.4","173.15","","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","- C164 H280 O20 Si12 Ti12 -","4","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0613","0.0587","","","0.1585","0.1611","","","","","","1.036","","","","has coordinates,has disorder","259519","2020-12-04","02:20:46",""
"4135355","7.19727","0.00016","10.5288","0.0002","24.3626","0.0006","90","","90","","90","","1846.16","0.07","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl2 Fe N2 -","- C14 H28 Cl2 Fe N2 -","- C56 H112 Cl8 Fe4 N8 -","4","1","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0442","0.0365","","","0.0782","0.0821","","","","","","1.062","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135356","10.40448","0.00016","10.40448","0.00016","9.2611","0.0002","90","","90","","90","","1002.54","0.03","140","0.1","140","0.1","","","","","","","","5","P 42","P 4c","77","","","","- C20 H24 Cl2 Fe N2 -","- C20 H24 Cl2 Fe N2 -","- C40 H48 Cl4 Fe2 N4 -","2","0.5","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0291","0.0259","","","0.0616","0.0633","","","","","","1.04","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135357","7.33605","0.00014","11.0844","0.0002","26.8365","0.0005","90","","90","","90","","2182.23","0.07","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cl2 Fe N2 -","- C18 H36 Cl2 Fe N2 -","- C72 H144 Cl8 Fe4 N8 -","4","1","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","1.54184","CuKα","","0.0236","0.0231","","","0.0607","0.0612","","","","","","1.036","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135358","14.5785","0.0005","11.9443","0.0004","10.9829","0.0005","90","","90","","90","","1912.45","0.13","140","0.1","140","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C46 H52 Cl2 Rh2 -","- C46 H52 Cl2 Rh2 -","- C92 H104 Cl4 Rh4 -","2","0.5","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0343","0.027","","","0.0504","0.0536","","","","","","1.054","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135359","10.7128","0.0015","12.9374","0.0017","32.667","0.004","90","","96.259","0.003","90","","4500.5","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H51 Cl2 N3 O8 Rh2 -","- C45 H51 Cl2 N3 O8 Rh2 -","- C180 H204 Cl8 N12 O32 Rh8 -","4","1","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0431","0.0362","","","0.0871","0.0902","","","","","","1.078","","","","has coordinates","302124","2025-09-12","17:46:23",""
"4135360","12.8813","0.0018","12.9498","0.0018","18.331","0.003","90","","102.871","0.002","90","","2981","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl6 N6 O8 Rh2 -","- C58 H60 Cl6 N6 O8 Rh2 -","- C116 H120 Cl12 N12 O16 Rh4 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0603","0.0449","","","0.1081","0.1173","","","","","","1.054","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135361","15.6237","0.0009","17.2551","0.0008","19.6274","0.0013","111.577","0.002","94.521","0.002","96.215","0.002","4851.2","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C184 H204 Cl24 N4 O32 Rh8 -","- C184 H204 Cl24 N4 O32 Rh8 -","- C184 H204 Cl24 N4 O32 Rh8 -","1","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","x-ray","0.71073","MoKα","","0.0465","0.0386","","","0.0819","0.0854","","","","","","1.101","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135362","10.9316","0.0008","12.9312","0.0009","32.433","0.002","90","","99.31","0.001","90","","4524.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 Cl2 N3 O8 Rh2 -","- C45 H51 Cl2 N3 O8 Rh2 -","- C180 H204 Cl8 N12 O32 Rh8 -","4","1","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0508","0.042","","","0.1101","0.1156","","","","","","1.045","","","","has coordinates","302124","2025-09-12","17:46:23",""
"4135363","12.961","0.002","12.909","0.002","18.381","0.003","90","","100.334","0.002","90","","3025.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl6 N4.28 O8 Rh2 -","- C58 H60 Cl6 N4.276 O8 Rh2 -","- C116 H120 Cl12 N8.552 O16 Rh4 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0615","0.0447","","","0.1149","0.1242","","","","","","1.082","","","","has coordinates,has disorder","259520","2020-12-04","02:21:12",""
"4135364","7.9196","0.0003","8.505","0.0004","27.304","0.0012","90","","90","","90","","1839.09","0.14","170","2","169.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N O2 P -","- C20 H26 N O2 P -","- C80 H104 N4 O8 P4 -","4","1","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","1.34139","GaKα","","0.0613","0.0479","","","0.1076","0.117","","","","","","1.039","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135365","16.0085","0.0003","7.8446","0.0002","16.2448","0.0004","90","","93.22","0.001","90","","2036.81","0.08","170","2","169.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H28 N O2 P -","- C21 H28 N O2 P -","- C84 H112 N4 O8 P4 -","4","1","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","1.34139","GaKα","","0.0391","0.0366","","","0.0946","0.097","","","","","","1.056","","","","has coordinates","301835","2025-08-20","18:54:32",""
"4135366","10.6291","0.0003","31.7456","0.0008","11.4376","0.0003","90","","92.961","0.001","90","","3854.2","0.18","193","","193.01","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H41 Cl N2 O4 P2 Pd -","- C40 H41 Cl N2 O4 P2 Pd -","- C160 H164 Cl4 N8 O16 P8 Pd4 -","4","2","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","0.71073","MoKα","","0.0357","0.032","","","0.0962","0.1021","","","","","","0.808","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4135367","19.3198","0.0009","19.3198","0.0009","20.7955","0.0013","90","","90","","120","","6722.1","0.6","193","2","193","2","","","","","","","","6","P 61","P 61","169","","","","- C32 H22 Mn2 Ni O10 S4 -","- C32 H20 Mn2 Ni O10 S4 -","- C192 H120 Mn12 Ni6 O60 S24 -","6","1","","Zhou, Yan; Hu, Qin; Yu, Fei; Ran, Guang-Ying; Wang, Hai-Ying; Shepherd, Nicholas D.; D'Alessandro, Deanna M; Kurmoo, Mohamedally; Zuo, Jing-Lin","A Metal-Organic Framework Based on a Nickel Bis(dithiolene) Connector: Synthesis, Crystal Structure, and Application as an Electrochemical Glucose Sensor.","Journal of the American Chemical Society","2020","142","48","20313","20317","10.1021/jacs.0c09009","","","1.34139","GaKα","","0.098","0.0673","","","0.1688","0.1874","","","","","","1.018","","","","has coordinates","259522","2020-12-04","02:21:42",""
"4135368","13.408","0.002","18.225","0.002","7.9041","0.0011","90","","94.302","0.006","90","","1926","0.4","150","","150","","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","0.5","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.0697","0.0572","","","0.1507","0.1631","","","","","","1.063","","","","has coordinates","259524","2020-12-04","02:22:29",""
"4135369","16.902","0.003","9.9528","0.0018","17.758","0.002","90","","99.9","0.006","90","","2942.8","0.8","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N2 O2 -","- C35 H36 N2 O2 -","- C140 H144 N8 O8 -","4","1","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.1255","0.0917","","","0.2346","0.2641","","","","","","1.078","","","","has coordinates,has disorder","301835","2025-08-20","18:54:32",""
"4135370","13.139","0.0017","34.437","0.005","13.4698","0.0019","90","","92.046","0.005","90","","6090.8","1.5","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 N2 O2 -","- C36 H40 N2 O2 -","- C288 H320 N16 O16 -","8","2","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.092","0.0601","","","0.1397","0.1577","","","","","","0.992","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135371","9.5316","0.001","9.9882","0.0011","12.1305","0.0013","74.757","0.004","77.144","0.004","74.314","0.004","1058.4","0.2","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C56 H48 N4 O4 -","2","1","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.0619","0.0466","","","0.1179","0.1269","","","","","","1.045","","","","has coordinates,has disorder","301835","2025-08-20","18:54:33",""
"4135372","10.1005","0.0005","11.4816","0.0006","15.6108","0.0008","84.1313","0.0017","74.5085","0.0015","70.8989","0.0015","1648.34","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","2","","Jeon, Jinwon; Lee, Changseok; Seo, Huiyeong; Hong, Sungwoo","NiH-Catalyzed Proximal-Selective Hydroamination of Unactivated Alkenes.","Journal of the American Chemical Society","2020","142","48","20470","20480","10.1021/jacs.0c10333","","","0.71073","MoKα","","0.0581","0.0479","","","0.1065","0.1132","","","","","","1.076","","","","has coordinates,has disorder","301835","2025-08-20","18:54:33",""
"4135373","12.1484","0.0005","12.2854","0.0005","24.5486","0.0009","90","","98.0774","0.0014","90","","3627.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C160 H200 N24 O16 -","8","2","","Jeon, Jinwon; Lee, Changseok; Seo, Huiyeong; Hong, Sungwoo","NiH-Catalyzed Proximal-Selective Hydroamination of Unactivated Alkenes.","Journal of the American Chemical Society","2020","142","48","20470","20480","10.1021/jacs.0c10333","","","0.71073","MoKα","","0.0922","0.0695","","","0.137","0.1463","","","","","","1.138","","","","has coordinates,has disorder","301835","2025-08-20","18:54:33",""
"4135382","15.0983","0.0004","19.1026","0.0005","10.0922","0.0002","90","","90","","90","","2910.76","0.12","120","","120.01","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C27 H39 Al N3 O2 P2 Rh -","- C27 H39 Al N3 O2 P2 Rh -","- C108 H156 Al4 N12 O8 P8 Rh4 -","4","0.5","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","x-ray","0.71073","MoKα","","0.0225","0.0194","","","0.0452","0.0476","","","","","","1.077","","","","has coordinates","260429","2021-01-04","03:14:30",""
"4135383","12.21","0.003","14.684","0.003","14.725","0.003","90","","111.369","0.006","90","","2458.6","0.9","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B N2 O2 P2 Rh -","- C22 H34 B N2 O2 P2 Rh -","- C88 H136 B4 N8 O8 P8 Rh4 -","4","1","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","","0.71073","MoKα","","0.0526","0.0472","","","0.1068","0.1086","","","","","","1.318","","","","has coordinates,has disorder","260429","2021-01-04","03:14:40",""
"4135384","15.278","0.0005","9.6009","0.0003","19.5396","0.0006","90","","93.389","0.002","90","","2861.11","0.16","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H76 Al2 N4 O4 P4 Rh2 -","- C51 H76 Al2 N4 O4 P4 Rh2 -","- C102 H152 Al4 N8 O8 P8 Rh4 -","2","0.5","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","","0.71073","MoKα","","0.0272","0.0213","","","0.0483","0.0509","","","","","","1.069","","","","has coordinates,has disorder","260429","2021-01-04","03:14:43",""
"4135385","9.22979","0.00012","12.58246","0.00017","12.86856","0.00016","90","","91.0663","0.0011","90","","1494.21","0.03","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C64 H64 Br4 N4 O8 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0432","0.0415","","","0.1115","0.1139","","","","","","1.055","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135386","8.70779","0.00014","9.8648","0.0002","18.3289","0.0003","90","","90","","90","","1574.46","0.05","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0363","0.0351","","","0.0951","0.0966","","","","","","1.055","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135387","13.6755","0.0007","5.2979","0.0003","31.08","0.0014","90","","92.838","0.005","90","","2249","0.2","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 N -","- C33 H23 N -","- C132 H92 N4 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.1346","0.0719","","","0.1394","0.1787","","","","","","1.001","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135388","12.5632","0.0008","10.1388","0.0005","10.1456","0.0005","90","","96.467","0.005","90","","1284.08","0.12","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0467","0.0428","","","0.1162","0.1203","","","","","","1.058","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135389","12.0621","0.0002","11.3639","0.0002","15.1141","0.0002","90","","90.006","0.002","90","","2071.73","0.06","103","5","103","5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Si3 -","- C20 H28 Si3 -","- C80 H112 Si12 -","4","1","","Lu, Lingxiang; Siu, Juno C.; Lai, Yihuan; Lin, Song","An Electroreductive Approach to Radical Silylation via the Activation of Strong Si-Cl Bond.","Journal of the American Chemical Society","2020","142","51","21272","21278","10.1021/jacs.0c10899","","x-ray","1.54184","CuKα","","0.052","0.0483","","","0.13","0.1328","","","","","","1.098","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135390","15.4791","0.0013","15.4791","0.0013","26.403","0.002","90","","90","","90","","6326.2","0.9","100","2","99.99","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C33.75 H36 Cl N2 Ni P2 -","- C33.75 H36 Cl N2 Ni P2 -","- C270 H288 Cl8 N16 Ni8 P16 -","8","1","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.71073","MoKα","","0.0611","0.0523","","","0.1476","0.1547","","","","","","1.131","","","","has coordinates,has disorder","260425","2021-01-04","03:12:23",""
"4135391","21.249","0.003","18.319","0.002","14.6841","0.0018","90","","101.772","0.001","90","","5595.7","1.2","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 Cl2 N6 P4 Pt2 -","- C62 H68 Cl2 N6 P4 Pt2 -","- C248 H272 Cl8 N24 P16 Pt8 -","4","1","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.24797","synchrotron","","0.0475","0.0463","","","0.1258","0.1262","","","","","","0.969","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135392","18.9534","0.0009","8.4688","0.0004","21.9113","0.0011","90","","107.14","0.0018","90","","3360.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H37 N3 O P2 -","- C40 H37 N3 O P2 -","- C160 H148 N12 O4 P8 -","4","2","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.71073","MoKα","","0.1159","0.0942","","","0.2307","0.2543","","","","","","1.071","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135393","15.426","0.003","15.426","0.003","26.835","0.006","90","","90","","90","","6386","2","15","2","15","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C131 H141 Cl4 F3 N12 P8 Pd4 -","- C131 H141 Cl4 F3 N12 P8 Pd4 -","- C262 H282 Cl8 F6 N24 P16 Pd8 -","2","0.25","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.24797","synchrotron","","0.0425","0.0371","","","0.097","0.1018","","","","","","1.087","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135394","10.5457","0.0002","10.5457","0.0002","10.5457","0.0002","90","","90","","90","","1172.81","0.04","298","","298","","","","101","","","","synthetic","3","P m -3","-P 2 2 3","200","Fe-THQ","Fe-THQ","","- C18 Fe4 O24 -","- C18 Fe4 O24 -","- C36 Fe8 O48 -","2","0.0833333","","Chen, Gan; Gee, Leland B.; Xu, Wenqian; Zhu, Yanbing; Lezama-Pacheco, Juan S; Huang, Zhehao; Li, Zongqi; Babicz, Jr, Jeffrey T; Choudhury, Snehashis; Chang, Ting-Hsiang; Reed, Evan; Solomon, Edward I.; Bao, Zhenan","Valence-Dependent Electrical Conductivity in a 3D Tetrahydroxyquinone-Based Metal-Organic Framework.","Journal of the American Chemical Society","2020","142","51","21243","21248","10.1021/jacs.0c09379","powder diffraction","x-ray","0.44811","Synchrotronmono-beam","","","","","","","","0.0695","","4.485","","","","","","","has coordinates","260421","2021-01-04","03:10:05",""
"4135395","11.5159","0.0014","26.624","0.003","28.024","0.003","75.516","0.002","86.674","0.002","89.643","0.002","8304.7","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C162 H257 B3 Si9 -","- C162 H257 B3 Si9 -","- C324 H514 B6 Si18 -","2","1","","Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.","A Neutral Silicon(II) Half-Sandwich Compound.","Journal of the American Chemical Society","2020","142","51","21304","21309","10.1021/jacs.0c11904","","","0.71073","MoKα","","0.1314","0.0946","","","0.2433","0.27","","","","","","1.11","","","","has coordinates,has disorder","260422","2021-01-04","03:10:38",""
"4135396","46.461","0.002","19.6539","0.0009","20.108","0.0009","90","","91.637","0.002","90","","18353.9","1.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C148 H192 Al2 B2 Cl8 F72 O10 Si6 -","- C148 H192 Al2 B2 Cl8 F72 O10 Si6 -","- C592 H768 Al8 B8 Cl32 F288 O40 Si24 -","4","1","","Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.","A Neutral Silicon(II) Half-Sandwich Compound.","Journal of the American Chemical Society","2020","142","51","21304","21309","10.1021/jacs.0c11904","","","0.71073","MoKα","","0.1111","0.0906","","","0.2419","0.2611","","","","","","1.036","","","","has coordinates,has disorder","260422","2021-01-04","03:10:48",""
"4135397","10.6412","0.0019","13.78","0.003","21.703","0.004","73.982","0.003","80.257","0.003","88.739","0.003","3013.7","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H101 B Li2 O2 Si2 -","- C60 H101 B Li2 O2 Si2 -","- C120 H202 B2 Li4 O4 Si4 -","2","1","","Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.","A Neutral Silicon(II) Half-Sandwich Compound.","Journal of the American Chemical Society","2020","142","51","21304","21309","10.1021/jacs.0c11904","","","0.71073","MoKα","","0.0572","0.0438","","","0.1106","0.1191","","","","","","1.036","","","","has coordinates,has disorder","260422","2021-01-04","03:10:50",""
"4135398","17.3585","0.0003","7.8792","0.0001","21.9818","0.0005","90","","112.747","0.002","90","","2772.63","0.1","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 As F6 N7 Pt -","- C29 H18 As F6 N7 Pt -","- C116 H72 As4 F24 N28 Pt4 -","4","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0232","0.0168","","","0.0364","0.0377","","","","","","0.945","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135399","26.3591","0.0005","15.2165","0.0003","19.67","0.0007","90","","118.351","0.001","90","","6943.2","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H72 As2 Cl2 N14 Pt2 -","- C71 H72 As2 Cl2 N14 Pt2 -","- C284 H288 As8 Cl8 N56 Pt8 -","4","0.5","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0412","0.0285","","","0.0654","0.0689","","","","","","1.024","","","","has coordinates,has disorder","260423","2021-01-04","03:11:30",""
"4135400","17.3133","0.0003","7.8025","0.0001","21.8762","0.0004","90","","112.753","0.001","90","","2725.22","0.08","456","2","456","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N7 P Pt -","- C29 H18 F6 N7 P Pt -","- C116 H72 F24 N28 P4 Pt4 -","4","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0353","0.0246","","","0.0523","0.0541","","","","","","0.943","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135401","27.3367","0.0014","15.1157","0.0008","19.6084","0.001","90","","116.709","0.001","90","","7237.9","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H36 Cl N7 Pt Sb -","- C35.501 H36 Cl1.002 N7 Pt Sb -","- C284.008 H288 Cl8.016 N56 Pt8 Sb8 -","8","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0415","0.0358","","","0.0827","0.0883","","","","","","1.173","","","","has coordinates,has disorder","260423","2021-01-04","03:11:36",""
"4135402","17.3569","0.0005","8.0541","0.0002","21.9642","0.0006","90","","113.066","0.002","90","","2825","0.14","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N7 Pt Sb -","- C29 H18 F6 N7 Pt Sb -","- C116 H72 F24 N28 Pt4 Sb4 -","4","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0309","0.0207","","","0.0422","0.0439","","","","","","0.983","","","","has coordinates","260423","2021-01-04","03:11:45",""
"4135403","11.6432","0.0011","12.2106","0.001","15.1043","0.0016","94.218","0.007","105.721","0.007","114.863","0.005","1831.8","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H34 Cl6 N2 O6 -","- C38 H34 Cl6 N2 O6 -","- C76 H68 Cl12 N4 O12 -","2","1","","Saal, Fridolin; Zhang, Fangyuan; Holzapfel, Marco; Stolte, Matthias; Michail, Evripidis; Moos, Michael; Schmiedel, Alexander; Krause, Ana-Maria; Lambert, Christoph; Würthner, Frank; Ravat, Prince","[<i>n</i>]Helicene Diimides (<i>n</i> = 5, 6, and 7): Through-Bond versus Through-Space Conjugation.","Journal of the American Chemical Society","2020","142","51","21298","21303","10.1021/jacs.0c11053","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","260424","2021-01-04","03:11:58",""
"4135404","24.9274","0.0017","10.0744","0.0006","13.9318","0.0008","90","","117.911","0.004","90","","3091.7","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 N2 O6 -","- C40 H34 N2 O6 -","- C160 H136 N8 O24 -","4","0.5","","Saal, Fridolin; Zhang, Fangyuan; Holzapfel, Marco; Stolte, Matthias; Michail, Evripidis; Moos, Michael; Schmiedel, Alexander; Krause, Ana-Maria; Lambert, Christoph; Würthner, Frank; Ravat, Prince","[<i>n</i>]Helicene Diimides (<i>n</i> = 5, 6, and 7): Through-Bond versus Through-Space Conjugation.","Journal of the American Chemical Society","2020","142","51","21298","21303","10.1021/jacs.0c11053","","","1.54178","CuKα","","0.0869","0.0643","","","0.1678","0.1863","","","","","","1.04","","","","has coordinates,has disorder","301835","2025-08-20","18:54:33",""
"4135405","6.2249","0.0002","8.8294","0.0002","9.3691","0.0002","90","","90","","90","","514.95","0.02","403","2","403","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","0.25","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0179","0.0168","","","0.0341","0.0346","","","","","","1.002","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135406","6.1587","0.0001","8.8322","0.0002","9.3515","0.0002","90","","90","","90","","508.674","0.018","363","2","363","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","0.25","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0212","0.02","","","0.0389","0.0393","","","","","","1.003","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135407","8.788","0.0003","5.9866","0.0002","9.2245","0.0003","90","","90.03","0.003","90","","485.3","0.03","93","2","93","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0266","0.0256","","","0.0611","0.0618","","","","","","1","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135408","8.8349","0.0002","6.0723","0.0001","9.3144","0.0002","90","","90.03","","90","","499.7","0.018","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0371","0.0367","","","0.094","0.0944","","","","","","1.002","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135409","8.8138","0.0002","6.0127","0.0001","9.259","0.0002","90","","90.03","0.003","90","","490.678","0.017","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0312","0.031","","","0.0749","0.0751","","","","","","1.001","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135410","6.5123","0.0006","7.987","0.0007","19.602","0.014","90","","91.48","0.017","90","","1019.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 F N O5 Re -","- C7 H11 F N O5 Re -","- C28 H44 F4 N4 O20 Re4 -","4","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0428","0.0397","","","0.1116","0.114","","","","","","1.05","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135411","9.134","0.0007","14.443","0.001","15.714","0.001","90","","91.365","0.003","90","","2072.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O3 S -","- C22 H25 N3 O3 S -","- C88 H100 N12 O12 S4 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0659","0.0557","","","0.1519","0.1623","","","","","","1.034","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135412","7.9874","0.0008","16.3053","0.0015","11.7305","0.0011","90","","93.629","0.003","90","","1524.7","0.3","135","2","135","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N3 O2 S -","- C15 H19 N3 O2 S -","- C60 H76 N12 O8 S4 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0385","0.0359","","","0.0949","0.0974","","","","","","1.052","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135413","9.4287","0.0003","14.026","0.0005","25.9572","0.0009","90","","98.656","0.001","90","","3393.7","0.2","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13.99 H17.25 Cl0.35 F3 N2 O2 S -","- C13.9835 H17.249 Cl0.3505 F3 N2 O2 S -","- C111.868 H137.992 Cl2.804 F24 N16 O16 S8 -","8","2","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0638","0.0553","","","0.1533","0.1622","","","","","","1.045","","","","has coordinates,has disorder","260428","2021-01-04","03:13:42",""
"4135414","11.9671","0.0006","10.6451","0.0006","13.0472","0.0007","90","","95.151","0.002","90","","1655.38","0.15","100","2","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 F3 N2 -","- C18 H25 F3 N2 -","- C72 H100 F12 N8 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.039","0.0342","","","0.0817","0.0852","","","","","","1.049","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135415","28.9093","0.0007","6.1109","0.0001","19.8414","0.0004","90","","104.537","0.001","90","","3393","0.12","120","2","120.06","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27.9 H22.9 Cl2.72 F17 N3 O2 S -","- C27.905 H22.905 Cl2.715 F17 N3 O2 S -","- C111.62 H91.62 Cl10.86 F68 N12 O8 S4 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0672","0.049","","","0.1152","0.1277","","","","","","1.034","","","","has coordinates,has disorder","260428","2021-01-04","03:13:42",""
"4135416","15.5602","0.0005","9.1547","0.0003","18.4847","0.0007","90","","110.478","0.002","90","","2466.73","0.15","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 F3 N3 O4 -","- C24 H28 F3 N3 O4 -","- C96 H112 F12 N12 O16 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0763","0.0525","","","0.1305","0.1466","","","","","","1.029","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135417","24.7462","0.001","8.7463","0.0004","11.885","0.0005","90","","98.217","0.002","90","","2545.95","0.19","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 F17 N2 -","- C24 H17 F17 N2 -","- C96 H68 F68 N8 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0438","0.0366","","","0.09","0.0959","","","","","","1.044","","","","has coordinates,has disorder","301835","2025-08-20","18:54:33",""
"4135418","9.3765","0.0004","23.4519","0.0009","10.6409","0.0004","90","","90.0379","0.0018","90","","2339.9","0.16","100","2","100.07","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F3 N2 O -","- C12 H13 F3 N2 O -","- C96 H104 F24 N16 O8 -","8","2","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0565","0.048","","","0.1177","0.1272","","","","","","1.069","","","","has coordinates","301835","2025-08-20","18:54:33",""
"4135542","11.506","0.008","12.614","0.006","17.118","0.016","75.681","0.017","71.28","0.03","88.66","0.015","2276","3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H68 N2 O3 Ru -","- C53 H68 N2 O3 Ru -","- C106 H136 N4 O6 Ru2 -","2","1","","Xu, Yan; Wong, Jonathan J.; Samkian, Adrian E.; Ko, Jeong Hoon; Chen, Shuming; Houk, K. N.; Grubbs, Robert H.","Efficient Z-Selective Olefin-Acrylamide Cross-Metathesis Enabled by Sterically Demanding Cyclometalated Ruthenium Catalysts","Journal of the American Chemical Society","2020","142","","20987","20993","10.1021/jacs.0c11334","","","0.71073","MoKα","","0.0475","0.0338","","","0.0722","0.0768","","","","","","1.04","","","","has coordinates","261190","2021-01-25","10:14:17",""
"6000349","12.1715","","22.3772","","7.6752","","90","","90","","90","","2090.46","","","","","","","","","","","","","4","P b n m","","","","","","- Ba5.1 O54 Sm8.6 Ti18 -","","","","","","Okudera, H.; Nakamura, H.; Toraya, H.; Ohsato, H.","Tungsten bronze-type solid solutions Ba6-3xSm8+2xTi18O54 (x = 0.3, 0.5, 0.67, 0.71) with superstructure","Journal of Solid State Chemistry","1999","142","","336","343","10.1006/jssc.1998.8042","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000350","12.1568","","22.3253","","7.663","","90","","90","","90","","2079.77","","","","","","","","","","","","","4","P b n m","","","","","","- Ba4.5 O54 Sm9 Ti18 -","","","","","","Okudera, H.; Nakamura, H.; Toraya, H.; Ohsato, H.","Tungsten bronze-type solid solutions Ba6-3xSm8+2xTi18O54 (x = 0.3, 0.5, 0.67, 0.71) with superstructure","Journal of Solid State Chemistry","1999","142","","336","343","10.1006/jssc.1998.8042","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000351","12.1472","","22.2972","","7.6534","","90","","90","","90","","2072.91","","","","","","","","","","","","","4","P b n m","","","","","","- Ba4 O54 Sm9.33 Ti18 -","","","","","","Okudera, H.; Nakamura, H.; Toraya, H.; Ohsato, H.","Tungsten bronze-type solid solutions Ba6-3xSm8+2xTi18O54 (x = 0.3, 0.5, 0.67, 0.71) with superstructure","Journal of Solid State Chemistry","1999","142","","336","343","10.1006/jssc.1998.8042","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000352","12.1452","","22.3029","","7.6501","","90","","90","","90","","2072.2","","","","","","","","","","","","","4","P b n m","","","","","","- Ba3.87 O54 Sm9.42 Ti18 -","","","","","","Okudera, H.; Nakamura, H.; Toraya, H.; Ohsato, H.","Tungsten bronze-type solid solutions Ba6-3xSm8+2xTi18O54 (x = 0.3, 0.5, 0.67, 0.71) with superstructure","Journal of Solid State Chemistry","1999","142","","336","343","10.1006/jssc.1998.8042","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000359","17.0051","","17.0051","","6.8607","","90","","90","","90","","1983.93","","","","","","","","","","","","","3","R -3 m","","","","","","- La7 Mo7 O30 -","","","","","","Goutenoire, F.; Retoux, R.; Suard, E.; Lacorre, P.","Ab initio determination of the novel perovskite-related structure of La7Mo7O30 from powder diffraction","Journal of Solid State Chemistry","1999","142","","228","235","10.1006/jssc.1998.8070","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"8103413","12.3","","12.3","","12.3","","90","","90","","90","","1860.87","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ag12 (Al12 Si12 O48) (H2 O)15.6","","- Ag7.44 Al12 O63.6 Si12 -","- Ag7.44 Al12 O63.6 Si12 -","- Ag7.44 Al12 O63.6 Si12 -","1","0.0208333","","Thoeni, W.","The crystal structure of hydrated zeolites Tl-A, Ca-A and Ag-A","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1975","142","","142","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103870","11.832","","5.2616","","14.637","","90","","121.01","","90","","780.995","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Hg (Cr O4) (H2 O)0.5","","- Cr H Hg O4.5 -","- Cr H Hg O4.5 -","- Cr8 H8 Hg8 O36 -","8","1","","Aurivillius, K.; Stalhandske, C.","Neutron diffraction study of mercury(II) chromate hemihydrate, Hg Cr O4 (H2 O)0.5","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1975","142","","129","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103994","14.4","","11.7","","11.29","","90","","90","","90","","1902.14","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K2 Zn (N3)4","","- K2 N12 Zn -","- K2 N12 Zn -","- K16 N96 Zn8 -","8","1","","Brunner, A.C.; Krischner, H.","Die Kristallstruktur von Kaliumzinkazid K2 Zn (N3)4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1975","142","","24","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104086","17.52","","3.926","","15.261","","90","","100.18","","90","","1033.18","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cu2.58 Bi3.14 S6","","- Bi3.14 Cu2.58 S6 -","- Bi3.1425 Cu2.61 S6 -","- Bi12.57 Cu10.44 S24 -","4","0.5","","Ozawa, T.; Nowacki, W.","The crystal structure of, and the bismuth-copper distribution in synthetic cuprobismuthite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1975","142","","161","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","164042","2020-10-21","18:00:00",""
"8104106","10.379","","10.379","","10.379","","90","","90","","90","","1118.06","","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","(Hg0.76 Cu0.24)12 Tl0.96 (As S3)8","","- As8 Cu2.88 Hg9.12 S24 Tl0.96 -","- As8 Cu2.88 Hg9.12 S24 Tl0.96 -","- As8 Cu2.88 Hg9.12 S24 Tl0.96 -","1","0.0208333","","Divjakovic, V.; Nowacki, W.","Die Kristallstruktur von Galchait (Hg0.76 (Cu, Zn)0.24)12 Tl0.96 (As S3)8","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1975","142","","262","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","164179","2020-10-21","18:00:00",""
"8104298","10.379","","10.379","","10.379","","90","","90","","90","","1118.06","","","","","","","","","","","","","6","I -4 3 m","I -4 2 3","217","","Tl0.96 Hg9.12 Cu1.44 Zn1.44 As8 S24","","- As8 Cu1.44 Hg9.12 S24 Tl0.96 Zn1.44 -","- As8 Cu1.44 Hg9.12 S24 Tl0.96 Zn1.44 -","- As8 Cu1.44 Hg9.12 S24 Tl0.96 Zn1.44 -","1","0.0208333","","Divjakovic, V.; Nowacki, W.","Die Kristallstruktur von Galchait (Hg0.76 (Cu, Zn)0.24)12 Tl0.96 (As S3)8","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1975","142","","262","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","168843","2020-10-21","18:00:00",""
"8104352","12.39","","12.39","","12.39","","90","","90","","90","","1902.02","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Na22.1 (Al12 Si12 O48) (N O3)9.4 (H2 O)15.1","","- Al12 H30.2 N9.4 Na22.1 O91.3 Si12 -","- Al12 N7.2 Na22.18 O91.6 Si12 -","- Al12 N7.2 Na22.18 O91.6 Si12 -","1","0.0208333","","Barrer, R.M.; Villiger, H.","The structure of the inclusion complex of sodium nitrate in zeolite A","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1975","142","","82","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9009529","5.37","","11.08","","7.56","","90","","90","","90","","449.817","","","","","","","","","","","","Vishnevye Mts, Chelyabinsk Oblast, Southern Urals, Russia","8","P b n m","-P 2c 2ab","62","","","Aeschynite-(Ce)","- Ca0.17 Ce0.68 Fe0.06 Mn0.02 Nb1.01 O6 Th0.01 Ti0.99 -","- Ca0.17 Ce0.68 Fe0.06 Mn0.02 Nb1.01 O6 Th0.01 Ti0.99 -","- Ca0.68 Ce2.72 Fe0.24 Mn0.08 Nb4.04 O24 Th0.04 Ti3.96 -","4","0.5","","Aleksandrov, V. B.","The crystal structure of aeschynite","Doklady Akademii Nauk SSSR","1962","142","","181","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9014749","9.382","","9.382","","9.382","","94.57","","94.57","","94.57","","817.498","","","","","","","","","","","","Mont Semiol, Montbrison, France","7","R -3 m :R","-P 3* 2","166","","","Chabazite-Mg","- Al3.312 Ca0.848 H26.44 K0.652 Mg0.66 O37.22 Si8.688 -","- Al3.312 Ca0.848 H26.44 K0.652 Mg0.66 O37.22 Si8.688 -","- Al3.312 Ca0.848 H26.44 K0.652 Mg0.66 O37.22 Si8.688 -","1","0.0833333","","Passaglia, E.; Ferro, O.","Occurrence and crystal structure of magnesian chabazite","Studies in Surface Science and Catalysis","2002","142","","1729","1735","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9016182","4.5144","","5.0787","","6.7297","","90","","90","","90","","154.294","","","","","","","","","","","","Synthetic","2","P b n m","-P 2c 2ab","62","","","Cohenite","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Lipson, H.; Petch, N. J.","The crystal structure of cementite, Fe3C","The Journal of the Iron and Steel Institute","1940","142","","95","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017837","5.137","","6.644","","8.908","","90","","90.554","","90","","304.018","","","","","","","","","","","","Khibiny Massif, Kola Peninsula, Russia","5","P 1 21/m 1","-P 2yb","11","","","Bonshtedtite","- C Fe Na3 O7 P -","- C Fe Na3 O7 P -","- C2 Fe2 Na6 O14 P2 -","2","0.5","","Krivovichev, S. V.; Chernyatieva, A. Y.; Britvin, S. N.; Yakovenchuk, V. N.; Krivovichev, V. G.","Refinement of the crystal structure of bonshtedtite Na3Fe(PO4)(CO3)","Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva","2013","142","","46","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""